490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:2:4:1:	4:4:1:1:	4:	O-2:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])2(CCHH)(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	C(OC[6a])2(CCHH)(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	105.8960	0.000	1	105.8960	0.000	1	105.8960	0.000	1	105.8960	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	N-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NP[6])(CHHO)(H)2	C(OP[6])(CHHN)(H)2	H(CCHN)	C(NP[6])(CHHO)(H)2	C(OP[6])(CHHN)(H)2	H(CCHN)	108.3200	0.007	2	108.3200	0.000	2	108.3200	0.000	2	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(OP[6])(CHHN)(H)2	C(NP[6])(CHHO)(H)2	H(CCHO)	C(OP[6])(CHHN)(H)2	C(NP[6])(CHHO)(H)2	H(CCHO)	108.5765	0.022	2	108.5765	0.000	2	108.5765	0.000	2	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OB[5])(CHHO)(H)2	C(OB[5])(CHHO)(H)2	H(CCHO)	C(OB[5])(CHHO)(H)2	C(OB[5])(CHHO)(H)2	H(CCHO)	109.8137	0.039	4	109.8137	0.001	4	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OC[5a])(CHHO)(H)2	C(OC[5a])(CHHO)(H)2	H(CCHO)	C(OC[5a])(CHHO)(H)2	C(OC[5a])(CHHO)(H)2	H(CCHO)	110.7895	1.446	2	110.7895	2.091	2	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OC[6])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	C(OC[6])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	109.5272	0.642	5	109.5272	0.412	5	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OC[6])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(OC[6])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	110.2605	0.064	4	110.2605	0.004	4	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	110.0935	0.263	4	110.0935	0.069	4	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	109.9447	1.103	530	109.9447	1.217	530	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(ON[5])(CHHO)(H)2	C(ON[5])(CHHO)(H)2	H(CCHO)	C(ON[5])(CHHO)(H)2	C(ON[5])(CHHO)(H)2	H(CCHO)	108.8425	0.015	2	108.8425	0.000	2	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(ON[5a])(CHHO)(H)2	C(ON[5a])(CHHO)(H)2	H(CCHO)	C(ON[5a])(CHHO)(H)2	C(ON[5a])(CHHO)(H)2	H(CCHO)	109.7823	0.631	8	109.7823	0.398	8	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OP[4])(CHHO)(H)2	C(OP[4])(CHHO)(H)2	H(CCHO)	C(OP[4])(CHHO)(H)2	C(OP[4])(CHHO)(H)2	H(CCHO)	110.1442	0.285	12	110.1442	0.081	12	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OP[6])(CHHO)(H)2	C(OP[6])(CHHO)(H)2	H(CCHO)	C(OP[6])(CHHO)(H)2	C(OP[6])(CHHO)(H)2	H(CCHO)	108.5037	0.177	4	108.5037	0.031	4	109.9344	1.159	575	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	O-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(OC[6])(CHHS)(H)2	C(SC[6])(CHHO)(H)2	H(CCHO)	C(OC[6])(CHHS)(H)2	C(SC[6])(CHHO)(H)2	H(CCHO)	110.2550	0.023	2	110.2550	0.001	2	110.2550	0.001	2	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(SC[6])(CHHO)(H)2	C(OC[6])(CHHS)(H)2	H(CCHS)	C(SC[6])(CHHO)(H)2	C(OC[6])(CHHS)(H)2	H(CCHS)	109.1380	0.028	2	109.1380	0.001	2	109.1380	0.001	2	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[4])(CHHS)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	C(SC[4])(CHHS)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	108.2730	0.020	2	108.2730	0.000	2	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[5])(CHHS)(H)2	C(SC[4])(CHHS)(H)2	H(CCHS)	C(SC[5])(CHHS)(H)2	C(SC[4])(CHHS)(H)2	H(CCHS)	108.3855	0.008	2	108.3855	0.000	2	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[5])(CHHS)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	C(SC[5])(CHHS)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	109.6681	2.738	16	109.6681	7.495	16	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[5])(CHHS)(H)2	C(SC[5a])(CHHS)(H)2	H(CCHS)	C(SC[5])(CHHS)(H)2	C(SC[5a])(CHHS)(H)2	H(CCHS)	109.2208	0.192	4	109.2208	0.037	4	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[5a])(CHHS)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	C(SC[5a])(CHHS)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	109.0430	0.021	4	109.0430	0.000	4	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[5a])(CHHS)(H)2	C(SC[5a])(CHHS)(H)2	H(CCHS)	C(SC[5a])(CHHS)(H)2	C(SC[5a])(CHHS)(H)2	H(CCHS)	109.1712	0.362	17	109.1712	0.131	17	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[6])(CHHS)(H)2	C(SC[6])(CHHS)(H)2	H(CCHS)	C(SC[6])(CHHS)(H)2	C(SC[6])(CHHS)(H)2	H(CCHS)	109.7998	2.587	5	109.7998	6.693	5	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHS)(H)2	C(SC[6a])(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHS)(H)2	C(SC[6a])(CHHS)(H)2	H(CCHS)	109.3849	0.588	44	109.3849	0.345	44	109.3501	1.765	94	109.8431	1.282	677	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:4:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(OC[5])(CCHH)(CHHO)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(OC[5])(CCHH)(CHHO)(H)	H(CCHO)	109.7395	0.366	2	109.7395	0.134	2	109.8283	0.090	3	109.8283	0.090	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	2:4:4:1:	4:	O-2:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CHHO)(CH3)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CHHO)(CH3)(H)	H(CCHO)	110.0060	0.000	1	110.0060	0.000	1	109.8283	0.090	3	109.8283	0.090	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(NC[6a])(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	H(CCHN)	C(NC[6a])(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	H(CCHN)	109.0505	0.554	4	109.0505	0.307	4	109.0505	0.307	4	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	N-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6])(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	C(NC[6])(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	109.2520	2.961	2	109.2520	8.770	2	109.2520	8.770	2	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(NC[5]H)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(NC[5]H)(CHHO)(H)2	H(CCHO)	109.4135	0.106	4	109.4135	0.011	4	110.1155	0.301	56	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	110.0181	0.521	13	110.0181	0.271	13	110.1155	0.301	56	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	110.3142	0.348	37	110.3142	0.121	37	110.1155	0.301	56	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(OP[6])(CHHN)(H)2	C(NP[6]H)(CHHO)(H)2	H(CCHO)	C(OP[6])(CHHN)(H)2	C(NP[6]H)(CHHO)(H)2	H(CCHO)	108.4770	0.059	2	108.4770	0.004	2	110.1155	0.301	56	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	O-2:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2)(CHHO)(H)2	H(CCHO)	110.4703	0.154	10	110.4703	0.024	10	110.4703	0.024	10	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	O-2:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(OC[6a])(CSeHH)(H)2	C(SeC[5]Cu)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CSeHH)(H)2	C(SeC[5]Cu)(CHHO)(H)2	H(CCHO)	110.1790	0.044	3	110.1790	0.002	3	110.1790	0.002	3	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CC[6a]O)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CC[6a]O)(CHHS)(H)2	H(CCHS)	109.9640	0.055	2	109.9640	0.003	2	109.9640	0.003	2	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	S-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(NC[5]Fe)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(NC[5]Fe)(CHHS)(H)2	H(CCHS)	109.1140	0.076	4	109.1140	0.006	4	109.6581	0.419	11	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	S-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(NC[6a]C)(CHHS)(H)2	H(CCHS)	110.1033	0.839	4	110.1033	0.704	4	109.6581	0.419	11	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	S-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(NC[6a]H)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(NC[6a]H)(CHHS)(H)2	H(CCHS)	109.7900	0.121	3	109.7900	0.015	3	109.6581	0.419	11	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	S-2:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(SB[5x3,5x5,20x6])(CHHP)(H)2	C(PC[6a]2)(CHHS)(H)2	H(CCHS)	C(SB[5x3,5x5,20x6])(CHHP)(H)2	C(PC[6a]2)(CHHS)(H)2	H(CCHS)	109.6320	0.055	4	109.6320	0.003	4	109.8427	0.097	10	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:1:1:	4:	S-2:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHP)(H)2	C(PC[6a]2)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHP)(H)2	C(PC[6a]2)(CHHS)(H)2	H(CCHS)	109.9832	0.337	6	109.9832	0.114	6	109.8427	0.097	10	110.0103	0.421	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:3:1:	4:	S-2:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(SC[6a])(CCHN)(H)2	C(CN[5]O)(CHHS)(NCH)(H)	H(CCHS)	C(SC[6a])(CCHN)(H)2	C(CN[5]O)(CHHS)(NCH)(H)	H(CCHS)	108.5850	0.007	2	108.5850	0.000	2	108.5850	0.000	2	108.5850	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:4:1:	4:	O-2:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(OC[6])(CCHN)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	H(CCHO)	C(OC[6])(CCHN)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	H(CCHO)	109.3105	0.006	2	109.3105	0.000	2	109.3105	0.000	2	109.3105	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	3:4:4:4:	4:	O-2:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(OC[6])(CCCN)(H)2	C(NC[5]Pd)(CHHO)(CH3)2	H(CCHO)	C(OC[6])(CCCN)(H)2	C(NC[5]Pd)(CHHO)(CH3)2	H(CCHO)	108.8015	0.005	2	108.8015	0.000	2	108.8015	0.000	2	108.8015	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(NC[5])(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	C(NC[5])(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3943	0.039	3	109.3943	0.002	3	110.1199	6.371	34	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5a])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.6845	2.133	2	109.6845	4.551	2	110.1199	6.371	34	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1937	0.438	6	109.1937	0.192	6	110.1199	6.371	34	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	110.7934	3.316	18	110.7934	10.995	18	110.1199	6.371	34	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[6])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NP[6])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.4160	0.124	5	109.4160	0.015	5	110.1199	6.371	34	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(NC[6a])(CHHO)(H)2	C(CHHN)(H)2(O)	H(CCHN)	C(NC[6a])(CHHO)(H)2	C(CHHN)(H)2(O)	H(CCHN)	109.7745	0.009	2	109.7745	0.000	2	109.7745	0.000	2	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(OC[6a])(CBrHH)(H)2	C(CHHO)(Br)(H)2	H(CCHO)	C(OC[6a])(CBrHH)(H)2	C(CHHO)(Br)(H)2	H(CCHO)	109.9389	0.586	22	109.9389	0.343	22	109.9389	0.343	22	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(OC[6,6])(CClHH)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	C(OC[6,6])(CClHH)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	109.8900	0.055	2	109.8900	0.003	2	110.1781	0.058	18	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	C(OC[6a])(CClHH)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	110.2141	0.230	16	110.2141	0.053	16	110.1781	0.058	18	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OC[5a])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	C(OC[5a])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	110.4070	0.137	12	110.4070	0.019	12	110.0271	0.580	67	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OC[6])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	C(OC[6])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	109.9090	0.349	6	109.9090	0.122	6	110.0271	0.580	67	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	C(OC[6a])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	110.0176	1.144	26	110.0176	1.309	26	110.0271	0.580	67	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OP[4])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	C(OP[4])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	109.7600	0.006	2	109.7600	0.000	2	110.0271	0.580	67	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OP[5])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	C(OP[5])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	109.6563	0.192	9	109.6563	0.037	9	110.0271	0.580	67	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OP[6,6])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	C(OP[6,6])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	109.8795	0.470	4	109.8795	0.221	4	110.0271	0.580	67	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OP[6])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	C(OP[6])(CF3)(H)2	C(CHHO)(F)3	H(CCHO)	110.1342	0.232	8	110.1342	0.054	8	110.0271	0.580	67	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(OC[6a])(CFFH)(H)2	C(CHHO)(F)2(H)	H(CCHO)	C(OC[6a])(CFFH)(H)2	C(CHHO)(F)2(H)	H(CCHO)	110.4150	0.075	4	110.4150	0.006	4	110.4150	0.006	4	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(OC[5,6,6])(CFHH)(H)2	C(CHHO)(F)(H)2	H(CCHO)	C(OC[5,6,6])(CFHH)(H)2	C(CHHO)(F)(H)2	H(CCHO)	110.1395	0.171	8	110.1395	0.029	8	110.1692	0.027	10	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(OC[6a])(CFHH)(H)2	C(CHHO)(F)(H)2	H(CCHO)	C(OC[6a])(CFHH)(H)2	C(CHHO)(F)(H)2	H(CCHO)	110.2880	0.048	2	110.2880	0.002	2	110.1692	0.027	10	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OB[3,3,5,4x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OB[3,3,5,4x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	111.1143	4.805	3	111.1143	23.087	3	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OB[5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OB[5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.9236	0.105	8	109.9236	0.011	8	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OB[5x3,5x5,20x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OB[5x3,5x5,20x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.7532	0.101	4	109.7532	0.010	4	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OB[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OB[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.8957	0.176	8	109.8957	0.031	8	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[3,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[3,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.1017	0.047	3	110.1017	0.002	3	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[3x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[3x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.2033	0.053	7	110.2033	0.003	7	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[4,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.2625	0.013	2	110.2625	0.000	2	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[4])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.2642	0.336	6	110.2642	0.113	6	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4a])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[4a])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.2486	0.365	18	110.2486	0.133	18	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[5,5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.1382	0.509	11	110.1382	0.259	11	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[5,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.9478	0.152	21	109.9478	0.023	21	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.1003	1.087	163	110.1003	1.181	163	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[5a])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.0652	0.635	59	110.0652	0.403	59	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[6,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.0560	0.576	29	110.0560	0.332	29	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.0936	2.187	277	110.0936	4.783	277	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[6a])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.1872	0.761	1707	110.1872	0.579	1707	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OGe[5,3x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OGe[5,3x6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.3340	0.027	2	110.3340	0.001	2	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONb[3,4,4,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ONb[3,4,4,6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2674	0.349	7	109.2674	0.122	7	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONb[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ONb[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	107.1490	0.436	4	107.1490	0.190	4	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OP[5])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.6028	0.260	8	109.6028	0.068	8	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OP[6])(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.9485	0.810	26	109.9485	0.657	26	110.1502	1.120	2373	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(H)2(O)	H(CCHO)	C(OC[6])(CHHO)(H)2	C(CHHO)(H)2(O)	H(CCHO)	109.7495	0.149	2	109.7495	0.022	2	109.7495	0.022	2	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(SC[5a])(CF3)(H)2	C(CHHS)(F)3	H(CCHS)	C(SC[5a])(CF3)(H)2	C(CHHS)(F)3	H(CCHS)	108.5530	0.000	1	108.5530	0.000	1	108.5615	0.001	4	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(SC[6a])(CF3)(H)2	C(CHHS)(F)3	H(CCHS)	C(SC[6a])(CF3)(H)2	C(CHHS)(F)3	H(CCHS)	108.5643	0.045	3	108.5643	0.002	3	108.5615	0.001	4	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5,6])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[5,6])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.8836	0.546	7	109.8836	0.298	7	109.6783	1.481	194	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[5])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.5611	1.250	79	109.5611	1.562	79	109.6783	1.481	194	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5a])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[5a])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.3507	0.601	23	109.3507	0.361	23	109.6783	1.481	194	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.7281	1.426	42	109.7281	2.033	42	109.6783	1.481	194	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6a])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	110.0228	1.281	39	110.0228	1.642	39	109.6783	1.481	194	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SGe[4])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SGe[4])(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.6360	0.089	4	109.6360	0.008	4	109.6783	1.481	194	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:1:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeGe[4])(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	C(SeGe[4])(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	109.5618	0.153	12	109.5618	0.023	12	109.5618	0.023	12	110.1069	1.187	2743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	C-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a])(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5a])(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.7600	0.031	2	108.7600	0.001	2	108.7600	0.001	2	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5])(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[5])(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.9350	0.006	2	109.9350	0.000	2	108.4933	1.782	21	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5])(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[5])(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.6040	0.118	3	109.6040	0.014	3	108.4933	1.782	21	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5a])(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[5a])(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.0089	0.905	8	109.0089	0.818	8	108.4933	1.782	21	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a])(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6a])(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	107.2007	0.965	8	107.2007	0.932	8	108.4933	1.782	21	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(OB[3x6])(CCHH)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	C(OB[3x6])(CCHH)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	109.6005	0.033	2	109.6005	0.001	2	109.5855	0.002	4	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	109.5705	0.059	2	109.5705	0.003	2	109.5855	0.002	4	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-2:H-1:O-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)(CO)(H)(O)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CHHO)(CO)(H)(O)	H(CCHO)	108.8855	3.108	2	108.8855	9.658	2	108.8855	9.658	2	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(OC[6])(CHHN)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	C(OC[6])(CHHN)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	109.1400	0.021	2	109.1400	0.000	2	110.1210	0.272	17	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	110.2397	0.541	7	110.2397	0.292	7	110.1210	0.272	17	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	110.4688	0.159	4	110.4688	0.025	4	110.1210	0.272	17	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(OSi[5])(CHHN)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	C(OSi[5])(CHHN)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	110.0560	0.029	4	110.0560	0.001	4	110.1210	0.272	17	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OB[3x3,3x5,12x6])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(OB[3x3,3x5,12x6])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	110.0230	0.030	4	110.0230	0.001	4	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[5])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(OC[5])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	108.7265	0.012	2	108.7265	0.000	2	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[5])(CHHO)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(OC[5])(CHHO)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	110.2145	0.021	2	110.2145	0.000	2	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(OC[5a])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	110.4001	0.632	20	110.4001	0.399	20	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[5a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	H(CCHO)	C(OC[5a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	H(CCHO)	110.3135	0.006	2	110.3135	0.000	2	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(OC[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.7115	1.181	157	109.7115	1.394	157	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6])(CHHO)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(OC[6])(CHHO)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	109.9938	0.550	13	109.9938	0.302	13	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	110.0099	0.872	2274	110.0099	0.761	2274	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	110.1254	0.262	49	110.1254	0.069	49	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OS)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OS)(H)2	H(CCHO)	110.2293	0.209	6	110.2293	0.044	6	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OSi)(H)2	H(CCHO)	110.1247	0.073	3	110.1247	0.005	3	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(OP[6])(CHHO)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.7298	0.372	73	109.7298	0.138	73	109.9892	0.767	2605	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(OC[6a])(CHHS)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	C(OC[6a])(CHHS)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	109.4195	1.149	17	109.4195	1.320	17	109.5964	1.208	21	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(OC[6a])(CHHS)(H)2	C(CHHO)(SS)(H)2	H(CCHO)	C(OC[6a])(CHHS)(H)2	C(CHHO)(SS)(H)2	H(CCHO)	110.3480	0.294	4	110.3480	0.086	4	109.5964	1.208	21	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	109.1572	0.792	57	109.1572	0.628	57	109.1613	0.575	65	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(SC[5a])(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	C(SC[5a])(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	109.0318	0.443	6	109.0318	0.196	6	109.1613	0.575	65	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	109.6670	0.100	2	109.6670	0.010	2	109.1613	0.575	65	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(CHHS)(NC)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(CHHS)(NC)(H)2	H(CCHS)	110.0473	0.477	4	110.0473	0.227	4	110.0473	0.227	4	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[5])(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(SC[5])(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.8776	1.116	34	108.8776	1.245	34	109.0155	0.772	82	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[5])(CHHO)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(SC[5])(CHHO)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	109.2037	1.052	12	109.2037	1.106	12	109.0155	0.772	82	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[5a])(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(SC[5a])(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.1616	0.532	24	109.1616	0.283	24	109.0155	0.772	82	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[6a])(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(SC[6a])(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.9360	0.350	8	108.9360	0.122	8	109.0155	0.772	82	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[6a])(CHHO)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	C(SC[6a])(CHHO)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	108.9052	0.266	4	108.9052	0.071	4	109.0155	0.772	82	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SC[5])(CHHS)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(SC[5])(CHHS)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	108.9755	0.006	2	108.9755	0.000	2	109.5882	0.233	10	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SC[6,6])(CHHS)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(SC[6,6])(CHHS)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	109.7414	0.407	8	109.7414	0.166	8	109.5882	0.233	10	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:2:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(SeC[6a])(CHHN)(H)2	C(CSeHH)(NC)(H)2	H(CSeCH)	C(SeC[6a])(CHHN)(H)2	C(CSeHH)(NC)(H)2	H(CSeCH)	109.0255	0.028	2	109.0255	0.001	2	109.0255	0.001	2	109.9246	0.827	2835	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	C-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a])(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[6a])(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	110.2870	0.031	2	110.2870	0.001	2	110.2870	0.001	2	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.6638	0.365	9	109.6638	0.133	9	109.6862	0.100	12	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a])(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[6a])(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.7537	0.088	3	109.7537	0.008	3	109.6862	0.100	12	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(OC[6a])(CCFH)(H)2	C(CHHO)(CCH)(F)(H)	H(CCHO)	C(OC[6a])(CCFH)(H)2	C(CHHO)(CCH)(F)(H)	H(CCHO)	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[5])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	C(OC[5])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	110.1773	2.034	8	110.1773	4.135	8	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	110.2752	0.228	4	110.2752	0.052	4	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)(CCO)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CHHO)(CCO)(H)2	H(CCHO)	110.4150	0.011	2	110.4150	0.000	2	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	109.7518	0.507	4	109.7518	0.257	4	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	110.3303	0.524	23	110.3303	0.275	23	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CHH)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CHH)(H)2	H(CCHO)	109.9630	0.048	2	109.9630	0.002	2	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(COO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)(COO)(H)2	H(CCHO)	110.4256	0.807	11	110.4256	0.651	11	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OP[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	C(OP[6])(CCHH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	109.4031	0.333	19	109.4031	0.111	19	110.0441	0.788	73	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OB[6])(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(OB[6])(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.7040	0.020	2	109.7040	0.000	2	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6])(CHHN)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	C(OC[6])(CHHN)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	109.9340	0.058	2	109.9340	0.003	2	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	110.1392	0.563	141	110.1392	0.317	141	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	109.8978	1.215	146	109.8978	1.477	146	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	110.4571	0.354	8	110.4571	0.125	8	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NHP)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NHP)(H)2	H(CCHO)	110.3453	0.161	3	110.3453	0.026	3	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	109.1085	0.028	2	109.1085	0.001	2	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NZnC)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NZnC)(H)2	H(CCHO)	109.0950	0.093	2	109.0950	0.009	2	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OGa[4])(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(OGa[4])(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	108.9652	1.136	6	108.9652	1.290	6	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OP[5])(CHHN)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	C(OP[5])(CHHN)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	110.2570	0.000	1	110.2570	0.000	1	109.9972	0.904	313	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	109.2135	0.015	2	109.2135	0.000	2	110.0928	0.164	13	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	110.2650	0.114	7	110.2650	0.013	7	110.0928	0.164	13	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(H)2	C(CHHO)(OLiC)(H)2	H(CCHO)	C(OC[6a])(CHHO)(H)2	C(CHHO)(OLiC)(H)2	H(CCHO)	110.2313	0.138	4	110.2313	0.019	4	110.0928	0.164	13	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(OC[6a])(CHHS)(H)2	C(CHHO)(SPdC)(H)2	H(CCHO)	C(OC[6a])(CHHS)(H)2	C(CHHO)(SPdC)(H)2	H(CCHO)	111.0853	1.932	4	111.0853	3.732	4	111.0853	3.732	4	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CHHS)(CCH)(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CHHS)(CCH)(H)2	H(CCHS)	110.3800	0.042	2	110.3800	0.002	2	109.2848	1.293	32	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	109.2130	2.251	4	109.2130	5.065	4	109.2848	1.293	32	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6])(CCHH)(H)2	C(CHHS)(CCO)(H)2	H(CCHS)	C(SC[6])(CCHH)(H)2	C(CHHS)(CCO)(H)2	H(CCHS)	109.7315	0.026	2	109.7315	0.001	2	109.2848	1.293	32	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6])(CCHH)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(SC[6])(CCHH)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	108.9879	0.641	10	108.9879	0.410	10	109.2848	1.293	32	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHS)(CCO)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHS)(CCO)(H)2	H(CCHS)	109.9810	0.018	2	109.9810	0.000	2	109.2848	1.293	32	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	109.2871	1.323	10	109.2871	1.750	10	109.2848	1.293	32	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	108.6625	0.011	2	108.6625	0.000	2	109.2848	1.293	32	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[5])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(SC[5])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.3154	0.974	5	109.3154	0.948	5	109.5351	0.357	37	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[5])(CHHN)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(SC[5])(CHHN)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	109.5288	0.494	14	109.5288	0.244	14	109.5351	0.357	37	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[5a])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(SC[5a])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.7480	0.045	2	109.7480	0.002	2	109.5351	0.357	37	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.7036	0.543	9	109.7036	0.295	9	109.5351	0.357	37	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	109.4520	0.814	4	109.4520	0.662	4	109.5351	0.357	37	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(CHHS)(NPdC)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(CHHS)(NPdC)(H)2	H(CCHS)	109.7715	0.012	2	109.7715	0.000	2	109.5351	0.357	37	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SIn[5])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(SIn[5])(CHHN)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	108.6410	0.000	1	108.6410	0.000	1	109.5351	0.357	37	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SeC[5])(CHHN)(H)2	C(CSeHH)(NCC)(H)2	H(CSeCH)	C(SeC[5])(CHHN)(H)2	C(CSeHH)(NCC)(H)2	H(CSeCH)	108.9517	0.680	27	108.9517	0.463	27	108.9517	0.463	27	109.8763	0.917	514	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:3:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:	C(OC[6a])(CFNN)(H)2	C(CHHO)(NOO)2(F)	H(CCHO)	C(OC[6a])(CFNN)(H)2	C(CHHO)(NOO)2(F)	H(CCHO)	110.9384	0.297	5	110.9384	0.088	5	110.9384	0.088	5	110.9384	0.088	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:3:3:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(OC[6a])(CN3)(H)2	C(CHHO)(NOO)3	H(CCHO)	C(OC[6a])(CN3)(H)2	C(CHHO)(NOO)3	H(CCHO)	110.7400	0.007	2	110.7400	0.000	2	110.7400	0.000	2	110.7400	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(OC[6])(CCHN)(H)2	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	H(CCHO)	C(OC[6])(CCHN)(H)2	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	H(CCHO)	109.3110	0.124	4	109.3110	0.015	4	109.3110	0.015	4	109.3110	0.015	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:3:4:2:	4:	S-2:C-4:H-1:H-1:	C-4:C-3:C-4:C-2:	C-4:	C(SC[6a])(CC3)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	H(CCHS)	C(SC[6a])(CC3)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	H(CCHS)	108.2845	0.045	2	108.2845	0.002	2	108.2845	0.002	2	108.2845	0.002	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	C-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.6275	0.035	2	109.6275	0.001	2	109.2422	0.201	4	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	C-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8570	0.083	2	108.8570	0.007	2	109.2422	0.201	4	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(NC[6a])(CCFF)(H)2	C(CCFF)(CHHN)(F)2	H(CCHN)	C(NC[6a])(CCFF)(H)2	C(CCFF)(CHHN)(F)2	H(CCHN)	109.2285	0.023	2	109.2285	0.001	2	109.2285	0.001	2	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1664	1.000	5	109.1664	0.999	5	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5])(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[5])(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	110.0285	0.870	2	110.0285	0.758	2	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NC[5])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.5355	0.019	2	109.5355	0.000	2	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3540	0.306	6	109.3540	0.094	6	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6])(CCHH)(H)2	C(CC[6]FF)(CHHN)(H)2	H(CCHN)	C(NC[6])(CCHH)(H)2	C(CC[6]FF)(CHHN)(H)2	H(CCHN)	110.1165	0.076	2	110.1165	0.006	2	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6])(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6])(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2750	0.031	2	109.2750	0.001	2	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6])(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NC[6])(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	109.0805	0.033	2	109.0805	0.001	2	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6])(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6])(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.6025	0.028	4	109.6025	0.001	4	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3688	0.571	6	109.3688	0.326	6	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a])(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a])(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1400	0.366	4	109.1400	0.134	4	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NP[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NP[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1550	0.106	4	109.1550	0.011	4	109.3803	0.272	39	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(OB[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	C(OB[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	109.9933	0.039	3	109.9933	0.001	3	109.8359	0.050	56	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(OC[6a])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	C(OC[6a])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	109.8580	0.061	4	109.8580	0.004	4	109.8359	0.050	56	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	109.8244	0.234	49	109.8244	0.055	49	109.8359	0.050	56	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OB[3x3,3x5,12x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OB[3x3,3x5,12x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.4555	0.042	2	110.4555	0.002	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.6970	0.010	2	109.6970	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	109.0955	0.019	2	109.0955	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OB[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OB[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.8976	1.019	8	109.8976	1.038	8	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[4])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OC[4])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.1460	0.016	2	110.1460	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[4])(CCHH)(H)2	C(CClCC)(CHHO)(H)2	H(CCHO)	C(OC[4])(CCHH)(H)2	C(CClCC)(CHHO)(H)2	H(CCHO)	108.9360	0.098	4	108.9360	0.010	4	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[4])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(OC[4])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	110.1840	0.278	6	110.1840	0.077	6	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[4a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OC[4a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.3610	0.013	2	110.3610	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.8288	0.445	28	109.8288	0.198	28	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[5])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(OC[5])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	110.1115	0.098	4	110.1115	0.010	4	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	C(OC[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	109.8263	0.105	4	109.8263	0.011	4	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.9112	2.633	37	110.9112	6.935	37	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[5a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(OC[5a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	110.3310	0.016	2	110.3310	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[5a])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	C(OC[5a])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	109.8930	0.061	4	109.8930	0.004	4	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	H(CCHO)	110.3575	0.040	2	110.3575	0.002	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.0800	0.579	99	110.0800	0.336	99	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	110.9155	0.473	2	110.9155	0.224	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	110.3340	0.164	4	110.3340	0.027	4	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	109.6565	0.782	6	109.6565	0.611	6	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	110.4061	1.457	18	110.4061	2.121	18	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	C(OC[6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	110.2630	0.000	1	110.2630	0.000	1	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CBrHH)(CHHO)(H)2	H(CCHO)	110.3560	0.127	9	110.3560	0.016	9	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CCCH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CCCH)(CHHO)(H)2	H(CCHO)	110.0979	0.502	20	110.0979	0.252	20	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CCCS)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CCCS)(CHHO)(H)2	H(CCHO)	109.5795	3.145	2	109.5795	9.888	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.1120	0.698	1578	110.1120	0.488	1578	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	110.2195	0.975	4	110.2195	0.951	4	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CCHS)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CCHS)(CHHO)(H)2	H(CCHO)	110.4085	0.012	2	110.4085	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CC[3]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CC[3]HH)(CHHO)(H)2	H(CCHO)	109.9890	0.141	3	109.9890	0.020	3	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	110.0572	0.547	10	110.0572	0.299	10	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CCHO)	110.5390	1.530	21	110.5390	2.340	21	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	109.5395	0.070	2	109.5395	0.005	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	109.6881	0.991	9	109.6881	0.982	9	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CClHH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CClHH)(CHHO)(H)2	H(CCHO)	110.4246	0.185	18	110.4246	0.034	18	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.8914	0.704	18	109.8914	0.495	18	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC3)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC3)(H)2	H(CCHO)	109.8317	0.617	7	109.8317	0.380	7	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	109.9313	0.786	425	109.9313	0.618	425	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	110.2490	1.090	156	110.2490	1.188	156	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5,5]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CN[5,5]HH)(CHHO)(H)2	H(CCHO)	110.4510	0.000	1	110.4510	0.000	1	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	110.1040	0.205	6	110.1040	0.042	6	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CCHO)	109.9158	0.441	13	109.9158	0.195	13	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CCHO)	110.5118	1.025	39	110.5118	1.051	39	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CCHO)	110.4072	0.248	6	110.4072	0.062	6	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(ON[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(ON[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.4283	0.157	7	110.4283	0.025	7	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(ON[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(ON[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	108.5617	0.046	4	108.5617	0.002	4	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(ON[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(ON[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.5660	0.013	2	109.5660	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OP[4,5,5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OP[4,5,5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.3740	0.061	2	109.3740	0.004	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OP[5])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	C(OP[5])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	109.4565	0.006	2	109.4565	0.000	2	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OP[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OP[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.2877	0.928	10	110.2877	0.861	10	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OP[6])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	C(OP[6])(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	109.1831	0.276	8	109.1831	0.076	8	110.0989	0.680	2623	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(OC[6])(CCHO)(H)2	C(CHHO)2(H)(O)	H(CCHO)	C(OC[6])(CCHO)(H)2	C(CHHO)2(H)(O)	H(CCHO)	109.2530	1.894	2	109.2530	3.586	2	109.6882	0.543	11	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)2(H)(O)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CHHO)2(H)(O)	H(CCHO)	109.7849	0.415	9	109.7849	0.172	9	109.6882	0.543	11	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	110.7900	0.632	2	110.7900	0.400	2	110.4235	0.379	223	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	110.4820	0.623	187	110.4820	0.388	187	110.4235	0.379	223	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	110.0089	0.354	15	110.0089	0.125	15	110.4235	0.379	223	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	110.3339	0.376	15	110.3339	0.141	15	110.4235	0.379	223	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(OP[4])(CHHN)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	C(OP[4])(CHHN)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	109.3960	0.166	4	109.3960	0.028	4	110.4235	0.379	223	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(OC[6a])(CHHP)(H)2	C(CHHO)(PBCC)(H)2	H(CCHO)	C(OC[6a])(CHHP)(H)2	C(CHHO)(PBCC)(H)2	H(CCHO)	110.4087	0.066	4	110.4087	0.004	4	110.4087	0.004	4	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	C(OC[6a])(CSiHH)(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	109.5828	0.724	14	109.5828	0.525	14	109.5828	0.525	14	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OC[5])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	C(OC[5])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	109.4560	0.044	2	109.4560	0.002	2	109.8213	0.335	6	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	C(OC[6])(CHHN)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	109.4395	0.015	2	109.4395	0.000	2	109.8213	0.335	6	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(H)2	C(NZnHH)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHN)(H)2	C(NZnHH)(CHHO)(H)2	H(CCHO)	110.5685	0.012	2	110.5685	0.000	2	109.8213	0.335	6	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	C(OC[6])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	109.5220	0.059	4	109.5220	0.004	4	110.0932	0.186	26	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Cu)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Cu)(CHHO)(H)2	H(CCHO)	110.0168	0.145	4	110.0168	0.021	4	110.0932	0.186	26	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Pd)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Pd)(CHHO)(H)2	H(CCHO)	110.2180	0.041	3	110.2180	0.002	3	110.0932	0.186	26	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	110.0936	0.420	11	110.0936	0.176	11	110.0932	0.186	26	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	O-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHP)(H)2	C(PRuCC)(CHHO)(H)2	H(CCHO)	C(OC[6a])(CHHP)(H)2	C(PRuCC)(CHHO)(H)2	H(CCHO)	110.6457	0.264	4	110.6457	0.070	4	110.0932	0.186	26	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CBHH)(H)2	C(BC[6a]2C)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CBHH)(H)2	C(BC[6a]2C)(CHHS)(H)2	H(CCHS)	110.3085	0.005	2	110.3085	0.000	2	110.3085	0.000	2	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[3])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[3])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.0080	0.021	4	109.0080	0.000	4	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5,6])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[5,6])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	111.2080	1.189	2	111.2080	1.415	2	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CCFF)(CHHS)(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CCFF)(CHHS)(H)2	H(CCHS)	109.4465	1.134	6	109.4465	1.286	6	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.7395	0.792	94	108.7395	0.628	94	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	108.6298	0.065	4	108.6298	0.004	4	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	108.6234	0.662	56	108.6234	0.438	56	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[5])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.4809	0.654	51	108.4809	0.427	51	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[5a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.9957	0.957	66	108.9957	0.916	66	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5a])(CCHH)(H)2	C(CHHO)(CHHS)(H)2	H(CCHS)	C(SC[5a])(CCHH)(H)2	C(CHHO)(CHHS)(H)2	H(CCHS)	107.9620	0.253	2	107.9620	0.064	2	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5a])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(SC[5a])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.1980	0.695	4	109.1980	0.483	4	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5a])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[5a])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.5716	0.627	28	108.5716	0.393	28	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6])(CCHH)(H)2	C(CCCH)(CHHS)(H)2	H(CCHS)	C(SC[6])(CCHH)(H)2	C(CCCH)(CHHS)(H)2	H(CCHS)	109.0460	0.045	4	109.0460	0.002	4	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[6])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.5153	0.289	4	109.5153	0.083	4	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(SC[6])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	110.1265	0.185	18	110.1265	0.034	18	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	111.7192	2.901	6	111.7192	8.417	6	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.7216	0.643	55	109.7216	0.413	55	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHS)(H)2	H(CCHS)	107.9100	0.017	2	107.9100	0.000	2	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CC[6]HN)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CC[6]HN)(CHHS)(H)2	H(CCHS)	108.7607	0.894	3	108.7607	0.800	3	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.2740	0.011	2	108.2740	0.000	2	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	108.5470	0.007	2	108.5470	0.000	2	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.2533	0.877	26	109.2533	0.769	26	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	109.4933	0.732	4	109.4933	0.536	4	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CN[5]CH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CN[5]CH)(CHHS)(H)2	H(CCHS)	110.3640	0.010	2	110.3640	0.000	2	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	108.5393	0.223	3	108.5393	0.050	3	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	109.5563	0.065	3	109.5563	0.004	3	109.0108	0.949	451	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SC[5a])(CHHN)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(SC[5a])(CHHN)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	108.6340	0.215	6	108.6340	0.046	6	108.7453	0.214	11	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	108.8788	0.660	5	108.8788	0.435	5	108.7453	0.214	11	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(SC[6])(CHHS)(H)2	C(CHHS)(SO3)(H)2	H(CCHS)	C(SC[6])(CHHS)(H)2	C(CHHS)(SO3)(H)2	H(CCHS)	108.6435	0.006	2	108.6435	0.000	2	108.6435	0.000	2	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SC[5,6])(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	C(SC[5,6])(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	108.6825	0.012	2	108.6825	0.000	2	109.3838	0.409	6	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SC[5a])(CSiHH)(H)2	C(CHHS)(SiO3)(H)2	H(CCHS)	C(SC[5a])(CSiHH)(H)2	C(CHHS)(SiO3)(H)2	H(CCHS)	109.7345	0.435	4	109.7345	0.189	4	109.3838	0.409	6	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(NCoCH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(NCoCH)(CHHS)(H)2	H(CCHS)	110.5670	0.038	2	110.5670	0.001	2	109.6215	0.785	12	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(NFeCH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(NFeCH)(CHHS)(H)2	H(CCHS)	110.4077	0.132	4	110.4077	0.017	4	109.6215	0.785	12	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHN)(H)2	C(NMnCH)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHN)(H)2	C(NMnCH)(CHHS)(H)2	H(CCHS)	108.7822	0.138	6	108.7822	0.019	6	109.6215	0.785	12	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHP)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHP)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHS)	109.0695	0.033	2	109.0695	0.001	2	109.1091	0.527	16	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	108.9040	0.211	4	108.9040	0.044	4	109.1091	0.527	16	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHP)(H)2	C(PC[6a]2Rh)(CHHS)(H)2	H(CCHS)	109.1990	0.914	10	109.1990	0.835	10	109.1091	0.527	16	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	S-2:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CHHS)(H)2	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	C(SC[6a])(CHHS)(H)2	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	110.9245	1.505	2	110.9245	2.266	2	110.9245	2.266	2	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[5])(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	C(SeC[5])(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	109.4815	0.737	4	109.4815	0.543	4	109.1346	0.382	23	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[5])(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeC[5])(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	108.9672	0.693	9	108.9672	0.480	9	109.1346	0.382	23	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[6])(CCHH)(H)2	C(CSeHH)(CH3)(H)2	H(CSeCH)	C(SeC[6])(CCHH)(H)2	C(CSeHH)(CH3)(H)2	H(CSeCH)	108.4800	0.020	2	108.4800	0.000	2	109.1346	0.382	23	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[6a])(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	C(SeC[6a])(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	109.4238	0.399	6	109.4238	0.159	6	109.1346	0.382	23	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[6a])(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CSeCH)	C(SeC[6a])(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CSeCH)	108.9810	0.008	2	108.9810	0.000	2	109.1346	0.382	23	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	Se-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[6a])(CHHN)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	C(SeC[6a])(CHHN)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	108.9370	0.008	2	108.9370	0.000	2	108.9370	0.000	2	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:1:1:	4:	Se-2:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SeC[6a])(CHHP)(H)2	C(PC[6a]2Pt)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a])(CHHP)(H)2	C(PC[6a]2Pt)(CSeHH)(H)2	H(CSeCH)	108.8290	0.028	2	108.8290	0.001	2	108.8290	0.001	2	109.9442	0.831	3537	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[5])(CCHO)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	C(OC[5])(CCHO)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	109.8255	0.069	2	109.8255	0.005	2	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6,6])(CCHO)(H)2	C(CHHO)2(OC)(H)	H(CCHO)	C(OC[6,6])(CCHO)(H)2	C(CHHO)2(OC)(H)	H(CCHO)	109.7920	0.014	2	109.7920	0.000	2	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6])(CCHO)(H)2	C(CCHO)(CHHO)(OH)(H)	H(CCHO)	C(OC[6])(CCHO)(H)2	C(CCHO)(CHHO)(OH)(H)	H(CCHO)	109.7308	0.145	4	109.7308	0.021	4	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6])(CCHO)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	C(OC[6])(CCHO)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	110.2690	0.035	2	110.2690	0.001	2	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CBrHH)(CHHO)(OC)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CBrHH)(CHHO)(OC)(H)	H(CCHO)	108.9490	0.007	2	108.9490	0.000	2	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	109.6595	1.022	4	109.6595	1.044	4	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OH)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OH)(H)	H(CCHO)	110.2575	0.033	2	110.2575	0.001	2	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHO)	110.2905	0.021	2	110.2905	0.000	2	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHO)	110.3883	0.820	22	110.3883	0.673	22	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)(CH3)(OH)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CHHO)(CH3)(OH)(H)	H(CCHO)	110.1497	0.070	3	110.1497	0.005	3	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	110.0936	0.374	76	110.0936	0.140	76	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6a])(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CCHO)	C(OC[6a])(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CCHO)	110.3871	0.121	14	110.3871	0.015	14	110.1322	0.264	135	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[5])(CCHO)(H)2	C(CHHS)(CH3)(OH)(H)	H(CCHS)	C(SC[5])(CCHO)(H)2	C(CHHS)(CH3)(OH)(H)	H(CCHS)	109.7644	0.564	21	109.7644	0.318	21	109.6358	0.360	25	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[5a])(CCHO)(H)2	C(CCHN)(CHHS)(OH)(H)	H(CCHS)	C(SC[5a])(CCHO)(H)2	C(CCHN)(CHHS)(OH)(H)	H(CCHS)	108.7910	0.033	2	108.7910	0.001	2	109.6358	0.360	25	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a])(CCHO)(H)2	C(CCHN)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a])(CCHO)(H)2	C(CCHN)(CHHS)(OH)(H)	H(CCHS)	109.1305	0.035	2	109.1305	0.001	2	109.6358	0.360	25	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:2:1:	4:	S-2:C-4:H-1:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(SC[6a])(CHOP)(H)2	C(CHHS)(PCCO)(OH)(H)	H(CCHS)	C(SC[6a])(CHOP)(H)2	C(CHHS)(PCCO)(OH)(H)	H(CCHS)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	110.0533	0.308	161	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(OC[3])(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCHO)	C(OC[3])(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCHO)	109.2848	0.067	4	109.2848	0.004	4	109.5375	0.639	18	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(OC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CCHO)	C(OC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CCHO)	110.5320	0.054	2	110.5320	0.003	2	109.5375	0.639	18	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(CF3)(NCC)(H)	H(CCHO)	C(OC[6a])(CCHN)(H)2	C(CHHO)(CF3)(NCC)(H)	H(CCHO)	108.4825	0.083	4	108.4825	0.007	4	109.5375	0.639	18	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NCH)(H)	H(CCHO)	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NCH)(H)	H(CCHO)	109.9428	0.635	8	109.9428	0.403	8	109.5375	0.639	18	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SC[6a])(CCCH)(H)2	C(CCHN)(CHHS)(COO)(H)	H(CCHS)	C(SC[6a])(CCCH)(H)2	C(CCHN)(CHHS)(COO)(H)	H(CCHS)	109.3710	0.016	2	109.3710	0.000	2	108.9428	0.117	6	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SC[6a])(CCCH)(H)2	C(CHHS)(CH3)(CNO)(H)	H(CCHS)	C(SC[6a])(CCCH)(H)2	C(CHHS)(CH3)(CNO)(H)	H(CCHS)	108.7287	0.105	4	108.7287	0.011	4	108.9428	0.117	6	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(SC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	H(CCHS)	C(SC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	H(CCHS)	108.6580	0.027	2	108.6580	0.001	2	108.7212	0.006	4	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(SC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NHS)(H)	H(CCHS)	C(SC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NHS)(H)	H(CCHS)	108.7845	0.015	2	108.7845	0.000	2	108.7212	0.006	4	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:1:	4:	S-2:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(SC[6a])(CCHN)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	C(SC[6a])(CCHN)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	108.7580	0.013	2	108.7580	0.000	2	108.7580	0.000	2	109.2578	0.521	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:2:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(OC[6a])(CCCN)(H)2	C(CHHO)(CH3)(NCH)(CN)	H(CCHO)	C(OC[6a])(CCCN)(H)2	C(CHHO)(CH3)(NCH)(CN)	H(CCHO)	110.3840	0.033	2	110.3840	0.001	2	110.3840	0.001	2	110.3840	0.001	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:3:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(OC[5a])(CC3)(H)2	C(CCHH)(CHHO)(CCH)(COO)	H(CCHO)	C(OC[5a])(CC3)(H)2	C(CCHH)(CHHO)(CCH)(COO)	H(CCHO)	108.8835	0.052	2	108.8835	0.003	2	108.8835	0.003	2	108.6109	0.039	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:3:3:	4:	Se-2:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(SePt)(CC3)(H)2	C(CSeHH)2(COO)2	H(CSeCH)	C(SePt)(CC3)(H)2	C(CSeHH)2(COO)2	H(CSeCH)	108.5330	0.141	7	108.5330	0.020	7	108.5330	0.020	7	108.6109	0.039	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NP[6])(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NP[6])(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.1482	0.384	10	109.1482	0.148	10	109.1482	0.148	10	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[4])(CCCH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	C(OC[4])(CCCH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	109.7584	0.401	5	109.7584	0.161	5	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[5a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	C(OC[5a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	109.6615	0.579	6	109.6615	0.335	6	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	C(OC[6])(CCCH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	109.8594	0.104	9	109.8594	0.011	9	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	C(OC[6a])(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	109.7571	0.407	7	109.7571	0.166	7	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	C(OC[6a])(CCCH)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	110.1725	0.039	4	110.1725	0.002	4	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCCH)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	H(CCHO)	C(OC[6a])(CCCH)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	H(CCHO)	110.0360	0.016	2	110.0360	0.000	2	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	C(OC[6a])(CCCH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	109.9894	0.379	211	109.9894	0.144	211	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OP[6])(CCCH)(H)2	C(CHHO)2(CH3)(H)	H(CCHO)	C(OP[6])(CCCH)(H)2	C(CHHO)2(CH3)(H)	H(CCHO)	110.7173	5.384	4	110.7173	28.986	4	109.9806	0.503	248	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NH3)(H)	H(CCHO)	C(OC[6a])(CCHN)(H)2	C(CHHO)(CH3)(NH3)(H)	H(CCHO)	110.2265	0.049	2	110.2265	0.002	2	110.2265	0.002	2	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	O-2:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(OC[6a])(CCHN)(H)2	C(CHHO)(NCHH)(CH3)(H)	H(CCHO)	C(OC[6a])(CCHN)(H)2	C(CHHO)(NCHH)(CH3)(H)	H(CCHO)	109.8220	0.030	2	109.8220	0.001	2	109.8220	0.001	2	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:1:	4:	Se-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SeC[5])(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	H(CSeCH)	C(SeC[5])(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	H(CSeCH)	108.6974	0.148	8	108.6974	0.022	8	108.6974	0.022	8	109.9124	0.538	270	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:2:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NC[6])(CCCO)(H)2	C(CHHN)(CH3)2(OH)	H(CCHN)	C(NC[6])(CCCO)(H)2	C(CHHN)(CH3)2(OH)	H(CCHN)	109.3325	0.005	2	109.3325	0.000	2	109.3325	0.000	2	108.5907	0.735	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:2:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(SC[6a])(CCCO)(H)2	C(CCHH)(CHHS)(CH3)(OC)	H(CCHS)	C(SC[6a])(CCCO)(H)2	C(CCHH)(CHHS)(CH3)(OC)	H(CCHS)	107.8490	0.066	2	107.8490	0.004	2	107.8490	0.004	2	108.5907	0.735	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:3:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(OC[3])(CCCN)(H)2	C(CHHO)(CH3)2(NCH)	H(CCHO)	C(OC[3])(CCCN)(H)2	C(CHHO)(CH3)2(NCH)	H(CCHO)	108.7080	0.027	2	108.7080	0.001	2	109.8564	0.671	7	109.3272	1.606	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:3:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(OC[6a])(CCCN)(H)2	C(CHHO)3(NHS)	H(CCHO)	C(OC[6a])(CCCN)(H)2	C(CHHO)3(NHS)	H(CCHO)	110.3158	0.289	5	110.3158	0.083	5	109.8564	0.671	7	109.3272	1.606	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:3:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(SC[6a])(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	H(CCHS)	C(SC[6a])(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	H(CCHS)	107.4750	0.014	2	107.4750	0.000	2	107.4750	0.000	2	109.3272	1.606	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	109.1218	1.759	16	109.1218	3.093	16	109.5877	3.538	22	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	110.8302	1.741	6	110.8302	3.032	6	109.5877	3.538	22	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OC[6])(CC3)(H)2	C(CHHO)4	H(CCHO)	C(OC[6])(CC3)(H)2	C(CHHO)4	H(CCHO)	109.8410	0.942	18	109.8410	0.888	18	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OC[6a])(CC3)(H)2	C(CBrHH)3(CHHO)	H(CCHO)	C(OC[6a])(CC3)(H)2	C(CBrHH)3(CHHO)	H(CCHO)	110.1645	0.142	4	110.1645	0.020	4	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OC[6a])(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(OC[6a])(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	108.4038	2.279	6	108.4038	5.192	6	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OC[6a])(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OC[6a])(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	110.0553	0.133	9	110.0553	0.018	9	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OC[6a])(CC3)(H)2	C(CHHO)4	H(CCHO)	C(OC[6a])(CC3)(H)2	C(CHHO)4	H(CCHO)	109.8818	0.866	120	109.8818	0.751	120	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OP[4,5])(CC3)(H)2	C(CHHO)2(CH3)2	H(CCHO)	C(OP[4,5])(CC3)(H)2	C(CHHO)2(CH3)2	H(CCHO)	109.6385	0.045	2	109.6385	0.002	2	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	H(CCHO)	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	H(CCHO)	109.7445	0.155	13	109.7445	0.024	13	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OP[6])(CC3)(H)2	C(CCHH)2(CHHO)2	H(CCHO)	C(OP[6])(CC3)(H)2	C(CCHH)2(CHHO)2	H(CCHO)	108.9092	0.089	18	108.9092	0.008	18	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OP[6])(CC3)(H)2	C(CHHO)4	H(CCHO)	C(OP[6])(CC3)(H)2	C(CHHO)4	H(CCHO)	109.1827	0.371	7	109.1827	0.138	7	109.7215	0.823	197	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SC[5a])(CC3)(H)2	C(CHHS)4	H(CCHS)	C(SC[5a])(CC3)(H)2	C(CHHS)4	H(CCHS)	107.7640	0.216	4	107.7640	0.047	4	108.2650	0.699	7	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SC[6a])(CC3)(H)2	C(CCHH)(CHHS)(CH3)2	H(CCHS)	C(SC[6a])(CC3)(H)2	C(CCHH)(CHHS)(CH3)2	H(CCHS)	109.4670	0.016	2	109.4670	0.000	2	108.2650	0.699	7	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:1:1:	4:4:4:4:	4:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SC[6a])(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHS)	C(SC[6a])(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHS)	107.8650	0.000	1	107.8650	0.000	1	108.2650	0.699	7	109.6634	1.130	226	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:2:1:	3:4:3:1:	4:	O-2:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(OC[6a])(CCCH)(OC)(H)	C(CC[5a]C)(CHOO)(COO)(H)	H(CCOO)	C(OC[6a])(CCCH)(OC)(H)	C(CC[5a]C)(CHOO)(COO)(H)	H(CCOO)	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:2:1:	4:1:1:1:	4:	O-2:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(ON[6])(CCl3)(OH)(H)	C(CHOO)(Cl)3	H(CCOO)	C(ON[6])(CCl3)(OH)(H)	C(CHOO)(Cl)3	H(CCOO)	110.6115	0.073	2	110.6115	0.005	2	110.6115	0.005	2	110.9267	0.136	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:2:1:	4:1:1:1:	4:	O-2:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CH3)(OC)(H)	C(CHOO)(H)3	H(CCOO)	C(OC[6a])(CH3)(OC)(H)	C(CHOO)(H)3	H(CCOO)	111.2420	0.076	2	111.2420	0.006	2	111.2420	0.006	2	110.9267	0.136	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:2:1:	4:3:1:1:	4:	O-2:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(OC)(H)	C(CHOO)(COO)(H)2	H(CCOO)	C(OC[6a])(CCHH)(OC)(H)	C(CHOO)(COO)(H)2	H(CCOO)	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:2:1:	4:4:1:1:	4:	O-2:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(CC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(OC[6])(CCHH)(CC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	113.4100	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:2:1:	4:4:2:1:	4:	S-2:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a])(CCHO)(OC)(H)	C(CCHO)(CHOS)(OC)(H)	H(CCOS)	C(SC[6a])(CCHO)(OC)(H)	C(CCHO)(CHOS)(OC)(H)	H(CCOS)	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:2:1:	4:4:3:2:	4:	O-2:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(OC[6])(CCCO)(OC)(H)	C(CHOO)(CH3)(COO)(OH)	H(CCOO)	C(OC[6])(CCCO)(OC)(H)	C(CHOO)(CH3)(COO)(OH)	H(CCOO)	109.1030	1.710	2	109.1030	2.923	2	109.1030	2.923	2	109.1030	2.923	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	2:4:3:1:	4:	S-2:C-4:C-3:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(SC[6a])(CCHS)(COO)(H)	C(SC[6a])(CCHS)(COO)(H)	H(CCCS)	C(SC[6a])(CCHS)(COO)(H)	C(SC[6a])(CCHS)(COO)(H)	H(CCCS)	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	N-2:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(NC[5])(CF3)(COO)(H)	C(CCHN)(F)3	H(CCCN)	C(NC[5])(CF3)(COO)(H)	C(CCHN)(F)3	H(CCCN)	109.1735	0.196	2	109.1735	0.038	2	109.1735	0.038	2	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	N-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a])(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a])(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	109.9400	0.000	1	109.9400	0.000	1	108.9415	0.473	4	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	N-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a])(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a])(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	108.6087	0.213	3	108.6087	0.045	3	108.9415	0.473	4	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4])(CH3)(CCH)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[4])(CH3)(CCH)(H)	C(CCHO)(H)3	H(CCCO)	109.4300	0.000	1	109.4300	0.000	1	109.4685	1.761	62	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4])(CH3)(CHH)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[4])(CH3)(CHH)(H)	C(CCHO)(H)3	H(CCCO)	113.0920	0.000	1	113.0920	0.000	1	109.4685	1.761	62	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6])(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6])(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	109.8478	0.119	4	109.8478	0.014	4	109.4685	1.761	62	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6])(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6])(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	109.6500	0.000	1	109.6500	0.000	1	109.4685	1.761	62	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a])(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	107.7537	1.232	15	107.7537	1.519	15	109.4685	1.761	62	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a])(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	109.9129	0.536	39	109.9129	0.288	39	109.4685	1.761	62	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ON[5])(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(ON[5])(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	112.5750	0.000	1	112.5750	0.000	1	109.4685	1.761	62	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5])(CH3)(CNO)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5])(CH3)(CNO)(H)	C(CCHS)(H)3	H(CCCS)	108.0930	0.000	1	108.0930	0.000	1	108.9887	0.755	7	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a])(CH3)(CCO)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a])(CH3)(CCO)(H)	C(CCHS)(H)3	H(CCCS)	109.1927	1.090	3	109.1927	1.188	3	108.9887	0.755	7	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:1:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a])(CH3)(CNO)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a])(CH3)(CNO)(H)	C(CCHS)(H)3	H(CCCS)	109.0833	0.775	3	109.0833	0.600	3	108.9887	0.755	7	109.3877	1.565	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:2:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(CNO)(H)	C(CCHS)(CC)(H)2	H(CCCS)	C(SC[6a])(CCHH)(CNO)(H)	C(CCHS)(CC)(H)2	H(CCCS)	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:3:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CHHN)(CCH)(H)	C(CCHO)(NCS)(H)2	H(CCCO)	C(OC[6a])(CHHN)(CCH)(H)	C(CCHO)(NCS)(H)2	H(CCCO)	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	109.5325	0.272	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:3:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(CCH)(H)	C(CCHS)(CCC)(H)2	H(CCCS)	C(SC[6a])(CCHH)(CCH)(H)	C(CCHS)(CCC)(H)2	H(CCCS)	109.1640	0.000	1	109.1640	0.000	1	109.1640	0.000	1	109.5325	0.272	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	C-2:C-4:N-3:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CC[6])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	C(CC[6])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	99.4224	0.000	1	99.4224	0.000	1	98.0276	3.891	2	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	C-2:C-4:N-3:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CC[6a])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	C(CC[6a])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	96.6329	0.000	1	96.6329	0.000	1	98.0276	3.891	2	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(CCH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(OC[6])(CCHH)(CCH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	106.7290	0.000	1	106.7290	0.000	1	108.6747	3.600	3	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(COO)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(OC[6a])(CCHH)(COO)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.7750	0.000	1	108.7750	0.000	1	108.6747	3.600	3	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	O-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(ON[5])(CCHH)(CNO)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	C(ON[5])(CCHH)(CNO)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	110.5200	0.000	1	110.5200	0.000	1	108.6747	3.600	3	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5])(CCHH)(COO)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(SC[5])(CCHH)(COO)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	107.7500	0.000	1	107.7500	0.000	1	107.8280	1.380	3	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5a])(CCHH)(CCC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(SC[5a])(CCHH)(CCC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	106.6940	0.000	1	106.6940	0.000	1	107.8280	1.380	3	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:1:1:	4:	S-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5a])(CCHH)(COO)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(SC[5a])(CCHH)(COO)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	109.0400	0.000	1	109.0400	0.000	1	107.8280	1.380	3	105.6954	24.530	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:2:1:	4:	O-2:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6])(CCHO)(CCH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(OC[6])(CCHO)(CCH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:3:1:	4:	S-2:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(SN[5])(CCHN)(CCH)(H)	C(CCCH)(CCHS)(NCH)(H)	H(CCCS)	C(SN[5])(CCHN)(CCH)(H)	C(CCCH)(CCHS)(NCH)(H)	H(CCCS)	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.2470	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:3:1:	4:4:4:1:	4:	N-2:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[5,6])(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(NC[5,6])(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	2:4:1:1:	4:	O-2:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OC[5])(CCHH)(CHHO)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(OC[5])(CCHH)(CHHO)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	105.8010	0.000	1	105.8010	0.000	1	107.5065	5.817	2	107.5065	5.817	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	2:4:1:1:	4:	O-2:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(CH3)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(OC[6a])(CHHO)(CH3)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	109.2120	0.000	1	109.2120	0.000	1	107.5065	5.817	2	107.5065	5.817	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	2:4:4:1:	4:	O-2:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCHO)(CH3)(H)	C(OC[6a])(CCHO)(CH3)(H)	H(CCCO)	C(OC[6a])(CCHO)(CH3)(H)	C(OC[6a])(CCHO)(CH3)(H)	H(CCCO)	109.2249	0.432	12	109.2249	0.186	12	109.2249	0.186	12	109.2249	0.186	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	3:4:1:1:	4:	O-2:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(OC[6])(CHHN)(CH3)(H)	C(NC[6a]S)(CCHO)(H)2	H(CCCO)	C(OC[6])(CHHN)(CH3)(H)	C(NC[6a]S)(CCHO)(H)2	H(CCCO)	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	Br-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BrB[5x3,5x5,20x6])(CH3)2(H)	C(CBrCH)(H)3	H(CBrCC)	C(BrB[5x3,5x5,20x6])(CH3)2(H)	C(CBrCH)(H)3	H(CBrCC)	114.8170	5.020	2	114.8170	25.205	2	114.8170	25.205	2	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[3])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[3])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	113.9245	0.015	2	113.9245	0.000	2	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	109.6207	0.060	6	109.6207	0.004	6	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	109.3170	0.635	26	109.3170	0.403	26	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5a])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	109.6822	0.535	6	109.6822	0.286	6	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	109.1692	0.798	10	109.1692	0.638	10	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6410	0.452	4	108.6410	0.204	4	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNb[3,3])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNb[3,3])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.2930	0.509	2	108.2930	0.259	2	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NP[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.3145	0.060	2	108.3145	0.004	2	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSi[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSi[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8450	0.033	2	107.8450	0.001	2	109.3512	1.227	60	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OC[5,6])(CF3)2(H)	C(CCHO)(F)3	H(CCCO)	C(OC[5,6])(CF3)2(H)	C(CCHO)(F)3	H(CCCO)	109.3280	0.023	2	109.3280	0.001	2	109.1313	0.181	15	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	H(CCCO)	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	H(CCCO)	109.0077	0.427	11	109.0077	0.182	11	109.1313	0.181	15	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(OC[6])(CF3)2(H)	C(CCHO)(F)3	H(CCCO)	C(OC[6])(CF3)2(H)	C(CCHO)(F)3	H(CCCO)	109.6145	0.016	2	109.6145	0.000	2	109.1313	0.181	15	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OB[3,3,5,6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OB[3,3,5,6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.3120	0.113	2	109.3120	0.013	2	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OB[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OB[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.0705	0.171	4	109.0705	0.029	4	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4,6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[4,6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.8080	0.000	1	109.8080	0.000	1	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[4])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.8860	0.107	6	109.8860	0.012	6	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[4a])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[4a])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	110.2420	1.422	4	110.2420	2.022	4	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.1740	0.000	1	109.1740	0.000	1	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.7698	0.446	30	109.7698	0.199	30	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.6082	0.342	6	109.6082	0.117	6	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.1880	0.000	1	109.1880	0.000	1	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.9143	0.939	27	109.9143	0.882	27	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6])(CHHN)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6])(CHHN)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.7210	0.000	1	109.7210	0.000	1	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.0581	0.993	14	109.0581	0.985	14	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CCHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a])(CCHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.5888	1.177	12	109.5888	1.386	12	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.5324	0.788	234	109.5324	0.620	234	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a])(CHHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a])(CHHO)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.1860	0.000	1	109.1860	0.000	1	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OGe[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OGe[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.1850	0.082	2	109.1850	0.007	2	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONb[6,6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(ONb[6,6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	107.1390	2.139	4	107.1390	4.576	4	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.3411	0.767	15	108.3411	0.588	15	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.5727	0.163	3	109.5727	0.027	3	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OP[5])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OP[5])(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.2300	0.508	4	109.2300	0.259	4	109.4915	0.777	372	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[3x3,3x5,12x6])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[3x3,3x5,12x6])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.0685	0.028	2	108.0685	0.001	2	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5,6])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5,6])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.2240	0.051	2	109.2240	0.003	2	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5])(CCHH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5])(CCHH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	107.6788	1.324	6	107.6788	1.754	6	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.3647	0.896	15	109.3647	0.803	15	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5a])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5a])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	107.4361	0.990	7	107.4361	0.980	7	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.3163	0.272	24	109.3163	0.074	24	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.0493	0.469	46	109.0493	0.220	46	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SN[5])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SN[5])(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.1115	0.030	2	109.1115	0.001	2	108.9545	0.692	104	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:1:1:1:	4:	Se-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeFe)(CH3)2(H)	C(CSeCH)(H)3	H(CSeCC)	C(SeFe)(CH3)2(H)	C(CSeCH)(H)3	H(CSeCC)	107.1292	0.350	4	107.1292	0.122	4	107.1292	0.122	4	109.3686	1.014	557	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:2:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.6330	0.000	1	109.6330	0.000	1	109.7470	1.920	5	109.7470	1.920	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:2:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(OC[6])(CCHO)(CHHO)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.8060	0.000	1	108.8060	0.000	1	109.7470	1.920	5	109.7470	1.920	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:2:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(ON[6])(CHHO)2(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(ON[6])(CHHO)2(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.0650	0.024	2	109.0650	0.001	2	109.7470	1.920	5	109.7470	1.920	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:2:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(OP[6])(CCHH)(CHHO)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(OP[6])(CCHH)(CHHO)(H)	C(CCHO)(OC)(H)2	H(CCCO)	112.1660	0.000	1	112.1660	0.000	1	109.7470	1.920	5	109.7470	1.920	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:3:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[5])(CCHH)(CHHO)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(OC[5])(CCHH)(CHHO)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.8100	0.000	1	109.8100	0.000	1	109.4455	0.266	2	109.4753	0.136	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:3:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.0810	0.000	1	109.0810	0.000	1	109.4455	0.266	2	109.4753	0.136	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:3:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	109.4753	0.136	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[5])(CCHH)(CCHO)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(OC[5])(CCHH)(CCHO)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	104.4670	0.000	1	104.4670	0.000	1	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	107.8620	0.000	1	107.8620	0.000	1	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	109.1080	0.000	2	109.1080	0.000	2	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.1950	0.000	1	108.1950	0.000	1	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	109.5995	0.328	6	109.5995	0.108	6	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6])(CCHH)2(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(OC[6])(CCHH)2(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.4881	0.484	13	108.4881	0.234	13	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.4365	0.163	2	108.4365	0.027	2	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	109.0270	0.814	10	109.0270	0.662	10	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)2(H)2	H(CCCO)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)2(H)2	H(CCCO)	108.5965	1.122	2	108.5965	1.259	2	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.1322	0.305	8	109.1322	0.093	8	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	109.7640	0.000	1	109.7640	0.000	1	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)2(H)2	H(CCCO)	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)2(H)2	H(CCCO)	109.4160	0.006	2	109.4160	0.000	2	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	110.8790	0.000	1	110.8790	0.000	1	108.8710	0.899	50	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5])(CCHH)(CH3)(H)	C(CCHS)2(H)2	H(CCCS)	C(SC[5])(CCHH)(CH3)(H)	C(CCHS)2(H)2	H(CCCS)	107.6542	1.383	6	107.6542	1.913	6	107.8287	1.506	12	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	107.3440	0.000	1	107.3440	0.000	1	107.8287	1.506	12	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCCH)(CCHH)(H)	C(CC[5]HH)(CCHS)(H)2	H(CCCS)	C(SC[6a])(CCCH)(CCHH)(H)	C(CC[5]HH)(CCHS)(H)2	H(CCCS)	106.4160	0.000	1	106.4160	0.000	1	107.8287	1.506	12	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	107.2760	0.000	1	107.2760	0.000	1	107.8287	1.506	12	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)2(H)	C(CCHS)(CFFH)(H)2	H(CCCS)	C(SC[6a])(CCHH)2(H)	C(CCHS)(CFFH)(H)2	H(CCCS)	108.8220	0.000	1	108.8220	0.000	1	107.8287	1.506	12	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCHH)2(H)	C(CCHS)(CHHO)(H)2	H(CCCS)	C(SC[6a])(CCHH)2(H)	C(CCHS)(CHHO)(H)2	H(CCCS)	108.7990	0.000	1	108.7990	0.000	1	107.8287	1.506	12	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:1:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a])(CCo2C)(CCHH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(SC[6a])(CCo2C)(CCHH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	109.3620	0.000	1	109.3620	0.000	1	107.8287	1.506	12	108.6693	1.166	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:2:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	104.5740	0.000	1	104.5740	0.000	1	108.4473	4.442	6	108.4563	3.703	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:2:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	109.1310	0.000	1	109.1310	0.000	1	108.4473	4.442	6	108.4563	3.703	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:2:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	108.0770	0.000	1	108.0770	0.000	1	108.4473	4.442	6	108.4563	3.703	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:2:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	109.2270	0.000	1	109.2270	0.000	1	108.4473	4.442	6	108.4563	3.703	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:2:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(OC[6])(CCHO)(CHHO)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	110.8700	0.000	1	110.8700	0.000	1	108.4473	4.442	6	108.4563	3.703	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:2:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(OC[6])(CCHO)(CHHO)(H)	C(CC[6]HO)(CCHO)(OH)(H)	H(CCCO)	C(OC[6])(CCHO)(CHHO)(H)	C(CC[6]HO)(CCHO)(OH)(H)	H(CCCO)	108.8050	0.000	1	108.8050	0.000	1	108.4473	4.442	6	108.4563	3.703	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:2:1:	4:	S-2:C-4:C-4:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHS)(PO3)(OH)(H)	H(CCCS)	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHS)(PO3)(OH)(H)	H(CCCS)	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.4563	3.703	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:3:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	108.6200	0.000	1	108.6200	0.000	1	108.4295	0.390	4	108.3716	1.860	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:3:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	108.3660	0.749	3	108.3660	0.560	3	108.4295	0.390	4	108.3716	1.860	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:3:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHO)(CCHS)(CNO)(H)	H(CCCS)	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHO)(CCHS)(CNO)(H)	H(CCCS)	110.9820	0.000	1	110.9820	0.000	1	108.7090	10.333	2	108.3716	1.860	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:3:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHS)(CH3)(CCO)(H)	H(CCCS)	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHS)(CH3)(CCO)(H)	H(CCCS)	106.4360	0.000	1	106.4360	0.000	1	108.7090	10.333	2	108.3716	1.860	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:3:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHH)(CCHS)(NHS)(H)	H(CCCS)	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHH)(CCHS)(NHS)(H)	H(CCCS)	107.2600	0.000	1	107.2600	0.000	1	107.9185	0.867	2	108.3716	1.860	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:3:1:	4:	S-2:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHS)(CF3)(NCH)(H)	H(CCCS)	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHS)(CF3)(NCH)(H)	H(CCCS)	108.5770	0.000	1	108.5770	0.000	1	107.9185	0.867	2	108.3716	1.860	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.4950	0.004	2	108.4950	0.000	2	107.8760	1.671	9	107.8760	1.671	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)2(H)	H(CCCO)	106.9655	1.259	2	106.9655	1.586	2	107.8760	1.671	9	107.8760	1.671	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)(CHHO)2(H)	H(CCCO)	C(OC[6])(CCCH)2(H)	C(CCHO)(CHHO)2(H)	H(CCCO)	106.4490	0.625	2	106.4490	0.391	2	107.8760	1.671	9	107.8760	1.671	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6])(CCCH)2(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(OC[6])(CCCH)2(H)	C(CCHO)2(CH3)(H)	H(CCCO)	109.2650	0.000	1	109.2650	0.000	1	107.8760	1.671	9	107.8760	1.671	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6])(CCCH)2(H)	C(CC[5]HO)(CCHO)(CH3)(H)	H(CCCO)	C(OC[6])(CCCH)2(H)	C(CC[5]HO)(CCHO)(CH3)(H)	H(CCCO)	108.2400	0.000	1	108.2400	0.000	1	107.8760	1.671	9	107.8760	1.671	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:1:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(CHHN)(CH3)(H)	H(CCCO)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(CHHN)(CH3)(H)	H(CCCO)	109.5600	0.000	1	109.5600	0.000	1	107.8760	1.671	9	107.8760	1.671	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:2:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	108.5520	0.062	2	108.5520	0.004	2	108.6352	0.222	6	108.6352	0.222	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:2:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	108.4910	0.000	1	108.4910	0.000	1	108.6352	0.222	6	108.6352	0.222	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:2:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	107.9060	0.000	1	107.9060	0.000	1	108.6352	0.222	6	108.6352	0.222	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	2:4:4:1:	4:4:4:2:	4:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(OC[6])(CCCO)(CCHH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	C(OC[6])(CCCO)(CCHH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	109.1550	0.000	2	109.1550	0.000	2	108.6352	0.222	6	108.6352	0.222	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	3:4:1:1:	4:	C-3:O-2:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(ON[5])(CHHN)(H)	C(NC[6a]C)(CCHO)(H)2	H(CCCO)	C(CC[6a]O)(ON[5])(CHHN)(H)	C(NC[6a]C)(CCHO)(H)2	H(CCCO)	108.0910	0.000	1	108.0910	0.000	1	108.0910	0.000	1	108.0910	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C-3:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(NC[6a])(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]O)(NC[6a])(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.1780	0.000	1	109.1780	0.000	1	109.1780	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	110.1685	0.197	2	110.1685	0.039	2	110.3640	0.084	4	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5]O)(OC[6a])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	110.5595	0.243	2	110.5595	0.059	2	110.3640	0.084	4	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C-3:S-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(SC[6a])(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CC[6a]O)(SC[6a])(CH3)(H)	C(CCHS)(H)3	H(CCCS)	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[5]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.5950	0.000	1	109.5950	0.000	1	109.5950	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[5a]-3:O-2:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(OGe[6])(CF3)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:N-2:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C(CC[6a]HN)(F)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C(CC[6a]HN)(F)3	H(CC[6a]CN)	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.0070	0.000	1	108.0070	0.000	1	108.9180	1.660	2	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	109.8290	0.000	1	109.8290	0.000	1	108.9180	1.660	2	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:Br-1:Br-1:F-1:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C(CC[6a]HO)(Br)2(F)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CBr2F)(H)	C(CC[6a]HO)(Br)2(F)	H(CC[6a]CO)	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OGe[6])(CF3)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:F-1:F-1:I-1:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C(CC[6a]HO)(F)2(I)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	C(CC[6a]HO)(F)2(I)	H(CC[6a]CO)	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	107.9360	0.000	1	107.9360	0.000	1	108.8114	1.371	25	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.7190	0.000	1	108.7190	0.000	1	108.8114	1.371	25	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	107.5155	0.272	2	107.5155	0.074	2	108.8114	1.371	25	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	107.9227	1.797	6	107.9227	3.229	6	108.8114	1.371	25	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.4980	0.385	12	109.4980	0.149	12	108.8114	1.371	25	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.8330	0.393	2	108.8330	0.155	2	108.8114	1.371	25	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.4220	0.000	1	109.4220	0.000	1	108.8114	1.371	25	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(SC[6])(CF3)(H)	C(CC[6a]HS)(F)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6])(CF3)(H)	C(CC[6a]HS)(F)3	H(CC[6a]CS)	106.9080	0.000	1	106.9080	0.000	1	106.9080	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	107.7695	0.490	2	107.7695	0.240	2	107.7695	0.240	2	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:1:1:1:	4:	N-3:N-2:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(NC[6a]H)(NC[6a])(CCl3)(H)	C(CHNN)(Cl)3	H(CCNN)	C(NC[6a]H)(NC[6a])(CCl3)(H)	C(CHNN)(Cl)3	H(CCNN)	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	108.8070	1.327	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:2:1:1:	4:	C-3:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]N)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CC[6a]N)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.8990	1.052	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:2:1:1:	4:	C[6a]-3:N-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	108.8990	1.052	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:2:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C(CC[6a]HO)(ON[5])(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	C(CC[6a]HO)(ON[5])(H)2	H(CC[6a]CO)	109.5500	0.000	1	109.5500	0.000	1	109.5383	0.192	4	108.8990	1.052	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:2:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C(CC[6a]HO)(OC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	C(CC[6a]HO)(OC)(H)2	H(CC[6a]CO)	109.5343	0.536	3	109.5343	0.287	3	109.5383	0.192	4	108.8990	1.052	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:2:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	C(CC[6a]HS)(OH)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	C(CC[6a]HS)(OH)(H)2	H(CC[6a]CS)	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	108.8990	1.052	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[5a]-3:S-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	C(CC[5a]HS)(CNO)(H)2	H(CC[5a]CS)	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	C(CC[5a]HS)(CNO)(H)2	H(CC[5a]CS)	107.1860	0.000	1	107.1860	0.000	1	108.0255	1.410	2	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[5a]-3:S-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(SC[6a])(CCHH)(H)	C(CC[5a]HS)(CC[5a]O)(H)2	H(CC[5a]CS)	C(C[5a]C[5a]S[5a])(SC[6a])(CCHH)(H)	C(CC[5a]HS)(CC[5a]O)(H)2	H(CC[5a]CS)	108.8650	0.000	1	108.8650	0.000	1	108.0255	1.410	2	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:N-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	104.0520	0.000	1	104.0520	0.000	1	104.0520	0.000	1	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	109.0445	0.145	4	109.0445	0.021	4	109.0054	0.023	5	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	C(CC[6a]HO)(NCH)(H)2	H(CC[6a]CO)	108.8490	0.000	1	108.8490	0.000	1	109.0054	0.023	5	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CClCH)(H)	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CClCH)(H)	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	H(CC[6a]CS)	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(CC[6a]N)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(CC[6a]N)(H)2	H(CC[6a]CS)	107.1357	0.650	3	107.1357	0.422	3	107.4641	0.665	7	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(CC[6a]O)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(CC[6a]O)(H)2	H(CC[6a]CS)	108.4000	0.195	2	108.4000	0.038	2	107.4641	0.665	7	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(CNO)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(CNO)(H)2	H(CC[6a]CS)	107.5870	0.000	1	107.5870	0.000	1	107.4641	0.665	7	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(COS)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HS)(COS)(H)2	H(CC[6a]CS)	106.4550	0.000	1	106.4550	0.000	1	107.4641	0.665	7	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	C(CC[6a]HS)(NOO)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	C(CC[6a]HS)(NOO)(H)2	H(CC[6a]CS)	108.9030	0.000	1	108.9030	0.000	1	109.2943	0.470	4	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	C(CC[6a]HS)(NOO)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	C(CC[6a]HS)(NOO)(H)2	H(CC[6a]CS)	108.9765	0.042	2	108.9765	0.002	2	109.2943	0.470	4	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	C(CC[6a]HS)(NSS)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	C(CC[6a]HS)(NSS)(H)2	H(CC[6a]CS)	110.3210	0.000	1	110.3210	0.000	1	109.2943	0.470	4	108.1834	1.938	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:2:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	C(CC[6a]HS)(CNO)(OC)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	C(CC[6a]HS)(CNO)(OC)(H)	H(CC[6a]CS)	106.8175	1.179	10	106.8175	1.390	10	106.8175	1.390	10	106.8175	1.390	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:3:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C(CC[6a]HO)(CNO)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	C(CC[6a]HO)(CNO)(NCH)(H)	H(CC[6a]CO)	110.1205	0.196	2	110.1205	0.038	2	110.1205	0.038	2	107.9820	5.375	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:3:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	H(CC[6a]CS)	108.5600	0.000	1	108.5600	0.000	1	107.2130	3.629	2	107.9820	5.375	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:3:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HS)(CNO)(COO)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HS)(CNO)(COO)(H)	H(CC[6a]CS)	105.8660	0.000	1	105.8660	0.000	1	107.2130	3.629	2	107.9820	5.375	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:3:3:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C(CC[6a]HS)(COS)(NCH)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C(CC[6a]HS)(COS)(NCH)(H)	H(CC[6a]CS)	105.2430	0.000	1	105.2430	0.000	1	105.2430	0.000	1	107.9820	5.375	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:1:1:	4:	C[5a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C(CC[5a]HO)(CHHN)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C(CC[5a]HO)(CHHN)(H)2	H(CC[5a]CO)	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	107.9533	1.691	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:N-2:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.9533	1.691	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C(CC[6a]HO)(CHHO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C(CC[6a]HO)(CHHO)(H)2	H(CC[6a]CO)	107.8770	0.000	1	107.8770	0.000	1	108.9996	0.531	5	107.9533	1.691	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C(CC[6a]HO)(CHHN)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C(CC[6a]HO)(CHHN)(H)2	H(CC[6a]CO)	109.3520	0.493	3	109.3520	0.243	3	108.9996	0.531	5	107.9533	1.691	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C(CC[6a]HO)(CC3)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C(CC[6a]HO)(CC3)(H)2	H(CC[6a]CO)	109.0650	0.000	1	109.0650	0.000	1	108.9996	0.531	5	107.9533	1.691	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:1:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CC[6a]CS)	106.7526	0.786	5	106.7526	0.618	5	106.7526	0.618	5	107.9533	1.691	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:2:1:	4:	N[5a]-3:O-2:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C(CN[5a]HO)(CC3)(OC)(H)	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C(CN[5a]HO)(CC3)(OC)(H)	H(CN[5a]CO)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	H(CC[6a]CO)	107.6483	1.073	3	107.6483	1.152	3	108.3327	1.079	6	107.8981	1.307	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	H(CC[6a]CO)	109.3930	0.000	1	109.3930	0.000	1	108.3327	1.079	6	107.8981	1.307	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NSS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C(CC[6a]HO)(CH3)(NSS)(H)	H(CC[6a]CO)	108.8290	0.259	2	108.8290	0.067	2	108.3327	1.079	6	107.8981	1.307	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	H(CC[6a]CS)	108.8990	0.000	1	108.8990	0.000	1	108.3805	0.538	2	107.8981	1.307	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	H(CC[6a]CS)	107.8620	0.000	1	107.8620	0.000	1	108.3805	0.538	2	107.8981	1.307	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:3:1:	4:	C[6a]-3:S-2:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	H(CC[6a]CS)	106.7073	0.801	3	106.7073	0.642	3	106.7073	0.642	3	107.8981	1.307	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:2:4:1:	4:4:4:1:	4:	C-3:Se-2:C-4:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(SeC[6a])(CCHS)(H)	C(SC[6a]OO)(CSeCH)(CCHH)(H)	H(CSeCC)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	C(SC[6a]OO)(CSeCH)(CCHH)(H)	H(CSeCC)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	H(CC[5]2C)	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	C(C[5]C[5,6]N[5])2(CC[5]2H)(H)	H(CC[5]2C)	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[5]N[5]2)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[5]2H)(H)	H(CC[5]2C)	C(C[5]N[5]2)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[5]2H)(H)	H(CC[5]2C)	109.4610	0.000	1	109.4610	0.000	1	109.4610	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[5]-3:C[6]-3:C-4:H-1:	C[5]-3:C[6]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(CC[5]C[6]C)	107.3422	0.343	5	107.3422	0.117	5	107.3422	0.117	5	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6]2H)(H)	H(CC[6]2C)	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6]2H)(H)	H(CC[6]2C)	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	H(CC[6]CN)	108.0777	0.716	6	108.0777	0.513	6	108.0777	0.513	6	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[5]2H)(H)	C(C[5]N[5]2)2(CC[6a]2H)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5]2H)(H)	C(C[5]N[5]2)2(CC[6a]2H)(H)	H(CC[6a]2C)	105.9920	0.000	1	105.9920	0.000	1	105.9920	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]2H)(H)	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	H(CC[6a]2C)	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	107.1110	0.000	1	107.1110	0.000	1	106.8635	1.189	17	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	H(CC[6a]2C)	107.3090	0.208	2	107.3090	0.043	2	106.8635	1.189	17	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	107.0905	0.135	2	107.0905	0.018	2	106.8635	1.189	17	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(CC[6a]2H)(H)	H(CC[6a]2C)	106.4874	1.274	10	106.4874	1.623	10	106.8635	1.189	17	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	107.9475	0.169	2	107.9475	0.029	2	106.8635	1.189	17	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	H(CC[6a]N[5a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(H)	H(CC[6a]N[5a]C)	107.5020	0.024	2	107.5020	0.001	2	107.5020	0.001	2	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(N[5]C[5]N[5])2(CN[5]2H)(H)	C(N[5]C[5]N[5])2(CN[5]2H)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CN[5]2H)(H)	C(N[5]C[5]N[5])2(CN[5]2H)(H)	H(CN[5]2C)	107.9455	0.046	2	107.9455	0.002	2	107.9455	0.002	2	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CC[6a]C[5]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5a]2H)(H)	H(CN[5a]2C)	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:1:	4:	P-3:P-3:C-4:H-1:	P-3:P-3:C-4:H-1:	C-4:	C(PC[6a]2)2(CHPP)(H)	C(PC[6a]2)2(CHPP)(H)	H(CCPP)	C(PC[6a]2)2(CHPP)(H)	C(PC[6a]2)2(CHPP)(H)	H(CCPP)	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	107.3763	1.303	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:2:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OMo)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OMo)	H(CN[5]2C)	108.6886	0.770	7	108.6886	0.593	7	108.6260	0.540	8	108.4157	0.871	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:2:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OW)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5]2H)(OW)	H(CN[5]2C)	108.1880	0.000	1	108.1880	0.000	1	108.6260	0.540	8	108.4157	0.871	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:2:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(CN[5a]2H)(OH)	H(CN[5a]2C)	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	108.4157	0.871	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:3:4:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2Y)(CN[5]2H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[6a]C[6a]2)2(C[5]C[5]2Y)(CN[5]2H)	H(CN[5]2C)	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	B[5]-3:B[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]2H)(H)2	H(CB[5]2C)	C(B[5]O[5]2)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]2H)(H)2	H(CB[5]2C)	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	B[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	H(CB[5]N[5]C)	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	H(CB[5]N[5]C)	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C-3:N-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	H(CC[5a]2C)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	H(CC[5a]2C)	108.6760	0.000	1	108.6760	0.000	1	107.8730	1.290	2	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	H(CC[5a]2C)	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	H(CC[5a]2C)	107.0700	0.000	1	107.0700	0.000	1	107.8730	1.290	2	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	H(CC[5a]2C)	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	H(CC[5a]2C)	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	H(CC[5a]C[6a]C)	106.6385	0.585	2	106.6385	0.342	2	106.6385	0.342	2	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CC[6a]2C)	107.4990	0.000	1	107.4990	0.000	1	107.0350	0.431	2	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	H(CC[6a]2C)	106.5710	0.000	1	106.5710	0.000	1	107.0350	0.431	2	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	H(CC[6a]2C)	106.7848	0.620	4	106.7848	0.385	4	106.7128	0.314	5	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	H(CC[6a]2C)	106.4250	0.000	1	106.4250	0.000	1	106.7128	0.314	5	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	H(CC[6a]2C)	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	H(CN[5]2C)	106.8432	0.710	5	106.8432	0.503	5	106.8432	0.503	5	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	C(OC[6a]Cr)(CN[5]2H)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHO)(H)	C(OC[6a]Cr)(CN[5]2H)(H)2	H(CN[5]2C)	106.9160	0.000	2	106.9160	0.000	2	106.9160	0.000	2	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	C(SC[6a]Cu)(CN[5]2H)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHS)(H)	C(SC[6a]Cu)(CN[5]2H)(H)2	H(CN[5]2C)	105.9920	0.000	1	105.9920	0.000	1	105.9920	0.000	1	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:1:1:	4:	P-3:P-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2)2(CCHH)(H)	C(CC[6a]O)(CHPP)(H)2	H(CCPP)	C(PC[6a]2)2(CCHH)(H)	C(CC[6a]O)(CHPP)(H)2	H(CCPP)	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	107.1224	1.200	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:2:1:	4:	C[5a]-3:N[6]-3:C-4:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	H(CC[5a]N[6]C)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	H(CC[5a]N[6]C)	107.5650	0.000	1	107.5650	0.000	1	107.5650	0.000	1	107.1881	1.150	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:2:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	H(CC[6]N[6]C)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	H(CC[6]N[6]C)	107.0190	0.000	1	107.0190	0.000	1	107.0190	0.000	1	107.1881	1.150	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	H(CC[6a]2C)	106.0550	0.000	1	106.0550	0.000	1	105.7625	0.171	2	107.1881	1.150	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	H(CC[6a]2C)	105.4700	0.000	1	105.4700	0.000	1	105.7625	0.171	2	107.1881	1.150	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:2:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	H(CN[5]2C)	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.1881	1.150	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:2:1:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	H(CN[5a]2C)	108.2350	0.000	2	108.2350	0.000	2	108.2350	0.000	2	107.1881	1.150	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	C[6]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	H(CC[6]N[5]C)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	H(CC[6]N[5]C)	101.7090	0.000	1	101.7090	0.000	1	101.7090	0.000	1	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	H(CC[6a]C[5]C)	106.7320	0.000	1	106.7320	0.000	1	106.9670	0.110	2	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	H(CC[6a]C[5]C)	107.2020	0.000	1	107.2020	0.000	1	106.9670	0.110	2	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	H(CC[6a]2C)	104.4630	0.072	2	104.4630	0.005	2	105.4103	2.695	3	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	H(CC[6a]2C)	107.3050	0.000	1	107.3050	0.000	1	105.4103	2.695	3	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	H(CC[6a]2C)	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	C[6a]-3:N-3:C-4:H-1:	C[6]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	H(CC[6a]CN)	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6,6]-3:C-4:N-3:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	H(CN[5]2C)	107.8490	0.071	2	107.8490	0.005	2	107.8490	0.005	2	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6,6]-3:C-4:O-3:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	H(CN[5]2C)	105.8680	0.000	1	105.8680	0.000	1	105.8680	0.000	1	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:3:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	H(CN[5]2C)	106.9710	0.539	2	106.9710	0.290	2	106.9710	0.290	2	106.6285	5.386	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:4:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	105.8800	1.131	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]2C)	105.2140	0.329	4	105.2140	0.109	4	105.6230	0.918	5	105.8800	1.131	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]2C)	107.2590	0.000	1	107.2590	0.000	1	105.6230	0.918	5	105.8800	1.131	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:4:2:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	H(CC[6a]2C)	105.9466	0.399	8	105.9466	0.159	8	105.9795	0.151	10	105.9795	0.151	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:4:2:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	H(CC[6a]2C)	106.1110	0.450	2	106.1110	0.202	2	105.9795	0.151	10	105.9795	0.151	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	3:4:4:3:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CH3)(CHN)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CH3)(CHN)	H(CC[6a]2C)	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	B[5]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	C(CB[5]CH)(H)3	H(CB[5]CC)	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	C(CB[5]CH)(H)3	H(CB[5]CC)	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	B[5]-3:C[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	C(CB[5]C[5]H)(H)3	H(CB[5]C[5]C)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	C(CB[5]C[5]H)(H)3	H(CB[5]C[5]C)	108.3817	0.113	3	108.3817	0.013	3	108.3817	0.013	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C)(CC[6a]N)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]C)(CC[6a]N)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.3380	0.000	1	107.3380	0.000	1	109.0637	1.350	4	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.6590	0.279	2	109.6590	0.078	2	109.0637	1.350	4	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CN[5a]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CN[5a]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.5990	0.000	1	109.5990	0.000	1	109.0637	1.350	4	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]O)(NC[6a]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5850	0.246	3	108.5850	0.061	3	108.5850	0.061	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	106.8935	0.241	4	106.8935	0.058	4	106.8935	0.058	4	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C(CC[5a]C[6a]H)(Cl)3	H(CC[5a]C[6a]C)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CCl3)(H)	C(CC[5a]C[6a]H)(Cl)3	H(CC[5a]C[6a]C)	106.0420	0.174	2	106.0420	0.030	2	106.0420	0.030	2	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C(CC[5a]C[6a]H)(F)3	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CF3)(H)	C(CC[5a]C[6a]H)(F)3	H(CC[5a]C[6a]C)	105.0780	0.000	1	105.0780	0.000	1	105.0780	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	107.5540	0.000	1	107.5540	0.000	1	107.3717	0.150	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	106.5320	0.000	1	106.5320	0.000	1	107.3717	0.150	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	107.4740	0.020	2	107.4740	0.000	2	107.3717	0.150	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	107.6610	0.000	1	107.6610	0.000	1	107.3717	0.150	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	107.3110	0.000	1	107.3110	0.000	1	107.3717	0.150	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	107.5960	0.000	1	107.5960	0.000	1	107.3717	0.150	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C(CC[5a]N[5]H)(H)3	H(CC[5a]N[5]C)	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	C(CC[5a]N[5]H)(H)3	H(CC[5a]N[5]C)	108.1295	0.336	2	108.1295	0.113	2	108.1295	0.113	2	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[5a]-3:N[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	C(CC[5a]N[6a]H)(H)3	H(CC[5a]N[6a]C)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	C(CC[5a]N[6a]H)(H)3	H(CC[5a]N[6a]C)	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)2(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	C(C[6]C[6]2)2(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	106.9940	0.666	2	106.9940	0.444	2	106.9218	0.161	4	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])2(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	C(C[6]C[6]N[6])2(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	106.8495	0.135	2	106.8495	0.018	2	106.9218	0.161	4	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.3960	0.008	2	109.3960	0.000	2	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.4415	0.595	4	107.4415	0.354	4	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.1180	0.000	1	108.1180	0.000	1	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	97.3031	0.000	1	97.3031	0.000	1	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.5080	0.089	2	106.5080	0.008	2	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.4600	0.000	1	108.4600	0.000	1	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.6870	0.000	1	106.6870	0.000	1	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.9070	0.000	1	108.9070	0.000	1	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.1750	0.042	2	109.1750	0.002	2	107.2933	8.795	15	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	H(CC[6]N[5]C)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	H(CC[6]N[5]C)	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.5533	0.589	6	108.5533	0.347	6	108.7804	0.337	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.3005	0.066	2	109.3005	0.004	2	108.7804	0.337	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.1030	0.000	1	109.1030	0.000	1	108.7804	0.337	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:Br-1:Br-1:Br-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CBr3)(H)	C(CC[6a]CH)(Br)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CBr3)(H)	C(CC[6a]CH)(Br)3	H(CC[6a]CC)	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCl3)(H)	C(CC[6a]CH)(Cl)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCl3)(H)	C(CC[6a]CH)(Cl)3	H(CC[6a]CC)	104.9710	0.000	1	104.9710	0.000	1	105.3510	0.112	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C(CC[6a]CH)(Cl)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CCl3)(H)	C(CC[6a]CH)(Cl)3	H(CC[6a]CC)	105.5410	0.082	2	105.5410	0.007	2	105.3510	0.112	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CBrC)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrC)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	105.4774	0.544	5	105.4774	0.296	5	105.2518	1.836	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	104.2727	1.885	3	104.2727	3.553	3	105.2518	1.836	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CClN)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClN)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	107.0610	0.000	1	107.0610	0.000	1	105.2518	1.836	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.6760	0.315	2	106.6760	0.099	2	108.6316	3.499	27	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.2368	0.601	6	108.2368	0.362	6	108.6316	3.499	27	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	117.4050	0.000	1	117.4050	0.000	1	108.6316	3.499	27	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.5382	0.440	15	108.5382	0.194	15	108.6316	3.499	27	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.2677	0.362	3	108.2677	0.131	3	108.6316	3.499	27	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	107.5816	1.502	11	107.5816	2.256	11	107.5816	2.256	11	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	C(CC[5a]C[6a]H)(H)3	H(CC[5a]C[6a]C)	107.5670	0.000	1	107.5670	0.000	1	107.5670	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	103.5718	13.557	6	103.5718	183.791	6	103.5718	183.791	6	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)2(CCl3)(H)	C(CC[6a]2H)(Cl)3	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCl3)(H)	C(CC[6a]2H)(Cl)3	H(CC[6a]2C)	105.3489	0.311	12	105.3489	0.096	12	105.3489	0.096	12	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCl2H)(H)	C(CC[6a]2H)(Cl)2(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCl2H)(H)	C(CC[6a]2H)(Cl)2(H)	H(CC[6a]2C)	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	107.6857	1.007	3	107.6857	1.013	3	106.8974	0.398	187	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	106.0980	0.000	1	106.0980	0.000	1	106.8974	0.398	187	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	106.8723	0.620	177	106.8723	0.384	177	106.8974	0.398	187	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]2H)(H)3	H(CC[6a]2C)	107.3765	0.267	6	107.3765	0.071	6	106.8974	0.398	187	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NIrC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NIrC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.1940	0.030	2	107.1940	0.001	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NRuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NRuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.7940	0.000	1	106.7940	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NAlP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NAlP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	105.5525	2.355	2	105.5525	5.548	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.5297	0.441	8	106.5297	0.194	8	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	104.1718	2.058	9	104.1718	4.235	9	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	109.4323	1.213	3	109.4323	1.471	3	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.3381	1.202	14	106.3381	1.445	14	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.4237	0.656	8	108.4237	0.430	8	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.8880	0.510	4	106.8880	0.260	4	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.6535	1.303	22	108.6535	1.697	22	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.6710	0.290	2	107.6710	0.084	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCaP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCaP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.7450	0.170	4	108.7450	0.029	4	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCoC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCoC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	105.6240	0.065	2	105.6240	0.004	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.2441	0.698	46	107.2441	0.488	46	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NFeC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NFeC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.0647	0.624	18	107.0647	0.390	18	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NHfC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NHfC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.0400	0.013	2	108.0400	0.000	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NIrC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NIrC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.7925	1.932	13	106.7925	3.733	13	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NLiC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLiC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.2365	0.153	2	108.2365	0.024	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NLiP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLiP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.3110	0.584	3	108.3110	0.341	3	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NLuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.9200	0.901	10	107.9200	0.812	10	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NMgC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMgC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.7590	2.039	3	106.7590	4.158	3	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NMoC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMoC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.9360	0.000	1	106.9360	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NNaC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNaC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.8050	0.000	1	107.8050	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NNiC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.1697	0.370	15	107.1697	0.137	15	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NNiH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.4460	0.000	1	106.4460	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.5683	0.309	4	106.5683	0.095	4	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.2220	0.000	1	108.2220	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPdC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.8735	0.759	13	106.8735	0.576	13	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPdP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.6200	0.000	1	106.6200	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPtC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPtC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	105.7340	0.000	1	105.7340	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NRhC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRhC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.2165	0.293	4	107.2165	0.086	4	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NRuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.8077	0.313	4	106.8077	0.098	4	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NScC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NScC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.0696	0.876	5	108.0696	0.768	5	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NSiSn)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NSiSn)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	105.8010	0.219	2	105.8010	0.048	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NSrP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NSrP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.4900	0.389	4	108.4900	0.151	4	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NZnC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.7242	0.450	35	107.7242	0.203	35	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NZrP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZrP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.0720	0.051	2	107.0720	0.003	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.4035	0.076	2	108.4035	0.006	2	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	109.2900	0.000	1	109.2900	0.000	1	107.3061	1.660	275	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	109.3130	0.000	1	109.3130	0.000	1	108.9805	0.189	8	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	109.6110	0.000	1	109.6110	0.000	1	108.9805	0.189	8	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	108.8200	0.364	6	108.8200	0.132	6	108.9805	0.189	8	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	C(CC[6a]N[4]H)(H)3	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	C(CC[6a]N[4]H)(H)3	H(CC[6a]N[4]C)	107.5316	0.478	5	107.5316	0.229	5	107.5316	0.229	5	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	107.3787	0.494	4	107.3787	0.244	4	107.5560	1.457	53	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	107.5704	1.249	49	107.5704	1.560	49	107.5560	1.457	53	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	107.6165	0.167	4	107.6165	0.028	4	107.3500	0.263	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	106.9947	0.645	3	106.9947	0.415	3	107.3500	0.263	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	106.9870	0.000	1	106.9870	0.000	1	107.2432	0.926	64	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	107.1285	0.134	2	107.1285	0.018	2	107.2432	0.926	64	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	106.9070	0.408	3	106.9070	0.166	3	107.2432	0.926	64	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	107.2625	1.022	56	107.2625	1.045	56	107.2432	0.926	64	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	107.4500	0.038	2	107.4500	0.001	2	107.2432	0.926	64	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OAl2)(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OAl2)(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	107.3130	0.000	1	107.3130	0.000	1	108.1593	0.541	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(OSiY)(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(OSiY)(CH3)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.5825	0.083	2	108.5825	0.007	2	108.1593	0.541	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:O[4]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	C(CC[6a]O[4]H)(H)3	H(CC[6a]O[4]C)	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	C(CC[6a]O[4]H)(H)3	H(CC[6a]O[4]C)	108.8400	0.000	1	108.8400	0.000	1	108.8400	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	C[6a]-3:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	108.1521	0.254	7	108.1521	0.064	7	108.1521	0.064	7	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N-3:N-3:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(NC[6a]H)2(CCl3)(H)	C(CHNN)(Cl)3	H(CCNN)	C(NC[6a]H)2(CCl3)(H)	C(CHNN)(Cl)3	H(CCNN)	108.1683	0.327	3	108.1683	0.107	3	108.1683	0.107	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N-3:N-3:C-4:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(NC[5]C)2(CCl2H)(H)	C(CHNN)(Cl)2(H)	H(CCNN)	C(NC[5]C)2(CCl2H)(H)	C(CHNN)(Cl)2(H)	H(CCNN)	105.8130	0.457	2	105.8130	0.209	2	105.8130	0.209	2	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[3]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[3]H)(H)3	H(CC[6a]N[3]C)	110.5540	0.714	3	110.5540	0.509	3	110.5540	0.509	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5,6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	C(CN[5,6]C[6a]H)(H)3	H(CN[5,6]C[6a]C)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	C(CN[5,6]C[6a]H)(H)3	H(CN[5,6]C[6a]C)	107.7510	2.193	2	107.7510	4.811	2	107.7510	4.811	2	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C(CC[6a]N[5]H)(Br)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	C(CC[6a]N[5]H)(Br)(H)2	H(CC[6a]N[5]C)	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	106.6500	0.000	1	106.6500	0.000	1	107.1718	0.485	17	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	107.0180	0.059	2	107.0180	0.004	2	107.1718	0.485	17	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	107.0673	1.201	3	107.0673	1.443	3	107.1718	0.485	17	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	106.3100	0.894	2	106.3100	0.799	2	107.1718	0.485	17	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	107.5768	0.410	6	107.5768	0.168	6	107.1718	0.485	17	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	107.3170	0.419	3	107.3170	0.176	3	107.1718	0.485	17	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C(CN[5]HN)(H)3	H(CN[5]CN)	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	C(CN[5]HN)(H)3	H(CN[5]CN)	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)2(CH3)(H)	C(CN[5]2H)(H)3	H(CN[5]2C)	C(N[5]C[5]2)2(CH3)(H)	C(CN[5]2H)(H)3	H(CN[5]2C)	108.0220	0.000	1	108.0220	0.000	1	107.5203	0.192	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CH3)(H)	C(CN[5]2H)(H)3	H(CN[5]2C)	C(N[5]C[5]N[5])2(CH3)(H)	C(CN[5]2H)(H)3	H(CN[5]2C)	107.2695	0.083	2	107.2695	0.007	2	107.5203	0.192	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C(CN[5]HO)(H)3	H(CN[5]CO)	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	C(CN[5]HO)(H)3	H(CN[5]CO)	109.7600	0.021	2	109.7600	0.000	2	109.7600	0.000	2	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	106.6642	0.693	5	106.6642	0.481	5	107.1430	0.565	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5a]H)(H)3	H(CC[6a]N[5a]C)	107.7415	0.082	4	107.7415	0.007	4	107.1430	0.565	9	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C(CC[6a]N[5a]H)(H)2(I)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	C(CC[6a]N[5a]H)(H)2(I)	H(CC[6a]N[5a]C)	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6,6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C(CN[6,6]C[6a]H)(H)3	H(CN[6,6]C[6a]C)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C(CN[6,6]C[6a]H)(H)3	H(CN[6,6]C[6a]C)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.0430	0.000	1	107.0430	0.000	1	107.2917	0.098	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.4160	0.321	2	107.4160	0.103	2	107.2917	0.098	3	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C(CC[6]N[6]H)(H)3	H(CC[6]N[6]C)	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C(CC[6]N[6]H)(H)3	H(CC[6]N[6]C)	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	107.4545	0.026	2	107.4545	0.001	2	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	105.7821	0.136	8	105.7821	0.019	8	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	106.6750	0.897	4	106.6750	0.805	4	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	107.8630	0.000	1	107.8630	0.000	1	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	106.2715	0.655	2	106.2715	0.430	2	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	109.5970	0.000	1	109.5970	0.000	1	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	106.7350	0.517	5	106.7350	0.268	5	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	107.1360	0.689	2	107.1360	0.474	2	106.6326	0.949	25	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:1:1:1:	4:	N[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6a]H)(H)3	H(CC[6a]N[6a]C)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6a]H)(H)3	H(CC[6a]N[6a]C)	105.0520	0.000	1	105.0520	0.000	1	105.0520	0.000	1	107.2357	2.844	814	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]C[5]H)(OH)(H)2	H(CC[6a]C[5]C)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]C[5]H)(OH)(H)2	H(CC[6a]C[5]C)	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C(CC[5a]C[6a]H)(OC)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	C(CC[5a]C[6a]H)(OC)(H)2	H(CC[5a]C[6a]C)	106.7445	0.046	2	106.7445	0.002	2	106.7290	0.002	3	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C(CC[5a]C[6a]H)(OH)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	C(CC[5a]C[6a]H)(OH)(H)2	H(CC[5a]C[6a]C)	106.6980	0.000	1	106.6980	0.000	1	106.7290	0.002	3	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C(CC[6]N[5]H)(SC)(H)2	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C(CC[6]N[5]H)(SC)(H)2	H(CC[6]N[5]C)	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C(CC[6a]CH)(SeC[6a])(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	C(CC[6a]CH)(SeC[6a])(H)2	H(CC[6a]CC)	107.5945	0.139	2	107.5945	0.019	2	107.5945	0.019	2	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CN)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CN)(H)2	H(CC[6a]2C)	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C(CC[6a]HN)(OSi)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	C(CC[6a]HN)(OSi)(H)2	H(CC[6a]CN)	106.2000	0.000	1	106.2000	0.000	1	107.9208	0.894	6	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	107.9770	0.373	2	107.9770	0.139	2	107.9208	0.894	6	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	108.3380	0.000	1	108.3380	0.000	1	107.9208	0.894	6	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	109.0070	0.000	1	109.0070	0.000	1	107.9208	0.894	6	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	108.0260	0.000	1	108.0260	0.000	1	107.9208	0.894	6	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	C(CC[6a]N[4]H)(OC)(H)2	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	C(CC[6a]N[4]H)(OC)(H)2	H(CC[6a]N[4]C)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	H(CC[6a]N[5]C)	106.2360	0.677	5	106.2360	0.459	5	106.2360	0.459	5	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	C(CC[6a]N[5a]H)(SeC[6a])(H)2	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	C(CC[6a]N[5a]H)(SeC[6a])(H)2	H(CC[6a]N[5a]C)	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	H(CC[6a]N[6]C)	106.7023	0.747	3	106.7023	0.558	3	106.7023	0.558	3	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	C[6a]-3:S-3:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C(CC[6a]HS)(CC)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C(CC[6a]HS)(CC)(H)2	H(CC[6a]CS)	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N-3:N-3:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NC[5]C)2(CCHH)(H)	C(CHNN)(CN)(H)2	H(CCNN)	C(NC[5]C)2(CCHH)(H)	C(CHNN)(CN)(H)2	H(CCNN)	105.3900	0.000	1	105.3900	0.000	1	105.3900	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5a]H)2(CHHO)(H)	C(CHNN)(OH)(H)2	H(CCNN)	C(NC[5a]H)2(CHHO)(H)	C(CHNN)(OH)(H)2	H(CCNN)	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	H(CC[6a]N[5]C)	107.0475	0.736	2	107.0475	0.542	2	106.3302	0.475	9	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OH)(H)2	H(CC[6a]N[5]C)	105.9525	0.650	4	105.9525	0.423	4	106.3302	0.475	9	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5]H)(OC)(H)2	H(CC[6a]N[5]C)	106.3557	0.440	3	106.3557	0.194	3	106.3302	0.475	9	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C(CC[6a]N[5]H)(SeC[6a])(H)2	H(CC[6a]N[5]C)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	C(CC[6a]N[5]H)(SeC[6a])(H)2	H(CC[6a]N[5]C)	106.5055	0.177	2	106.5055	0.032	2	106.5055	0.032	2	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)2(CHHO)(H)	C(CN[5]2H)(OH)(H)2	H(CN[5]2C)	C(N[5]C[5]2)2(CHHO)(H)	C(CN[5]2H)(OH)(H)2	H(CN[5]2C)	108.5690	0.000	1	108.5690	0.000	1	107.4907	0.939	3	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMn)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMn)(H)2	H(CN[5]2C)	106.9515	0.367	2	106.9515	0.135	2	107.4907	0.939	3	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SC[6a])(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SC[6a])(H)2	H(CN[5]2C)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5a]H)(OS)(H)2	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[5a]H)(OS)(H)2	H(CC[6a]N[5a]C)	107.3140	0.000	1	107.3140	0.000	1	107.3140	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])2(CHHO)(H)	C(CN[5a]2H)(OH)(H)2	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CHHO)(H)	C(CN[5a]2H)(OH)(H)2	H(CN[5a]2C)	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:1:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[6]H)(OC)(H)2	H(CC[6a]N[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[6]H)(OC)(H)2	H(CC[6a]N[6]C)	106.3930	0.000	1	106.3930	0.000	1	106.3930	0.000	1	107.0282	0.903	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:2:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	C(CC[6a]CH)(OC)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	C(CC[6a]CH)(OC)2(H)	H(CC[6a]CC)	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:2:3:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:S-2:S-2:C-3:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C(CC[6a]N[5]H)(SC[6a])2(CHO)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCSS)(H)	C(CC[6a]N[5]H)(SC[6a])2(CHO)	H(CC[6a]N[5]C)	105.4505	0.040	2	105.4505	0.002	2	105.4505	0.002	2	105.4505	0.002	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:4:1:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	H(CC[6a]B[5]C)	105.3120	0.000	1	105.3120	0.000	1	105.3120	0.000	1	106.2630	0.808	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C(CC[6a]2H)(SC[6a])(CHHN)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHS)(H)	C(CC[6a]2H)(SC[6a])(CHHN)(H)	H(CC[6a]2C)	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	106.2630	0.808	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CSeCH)(H)	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CSeCH)(H)	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	H(CC[6a]2C)	105.8290	0.000	1	105.8290	0.000	1	105.8290	0.000	1	106.2630	0.808	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:2:4:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	H(CC[6a]N[5]C)	106.5250	0.000	1	106.5250	0.000	1	106.5250	0.000	1	106.2630	0.808	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:B[6a]-3:H-1:H-1:	C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	H(CB[6a]B[5]C)	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	H(CB[6a]B[5]C)	107.1920	0.025	2	107.1920	0.001	2	107.1920	0.001	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	C(CB[6a]B[5]H)(COO)(H)2	H(CB[6a]B[5]C)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	C(CB[6a]B[5]H)(COO)(H)2	H(CB[6a]B[5]C)	107.8387	0.424	3	107.8387	0.180	3	107.8387	0.180	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	B[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	H(CB[6a]N[6]C)	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	H(CB[6a]N[6]C)	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]N[5]2)2(CCHH)(H)	C(CC[5]2H)(CNO)(H)2	H(CC[5]2C)	C(C[5]N[5]2)2(CCHH)(H)	C(CC[5]2H)(CNO)(H)2	H(CC[5]2C)	105.8590	0.000	1	105.8590	0.000	1	106.3657	0.355	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]N[5]2)2(CCHH)(H)	C(CC[5]2H)(COO)(H)2	H(CC[5]2C)	C(C[5]N[5]2)2(CCHH)(H)	C(CC[5]2H)(COO)(H)2	H(CC[5]2C)	106.6190	0.570	2	106.6190	0.325	2	106.3657	0.355	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	108.3370	0.000	1	108.3370	0.000	1	107.8193	0.214	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	107.5605	0.163	2	107.5605	0.027	2	107.8193	0.214	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	108.0245	0.015	2	108.0245	0.000	2	107.6983	0.319	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	C(CC[5a]CH)(CCH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	C(CC[5a]CH)(CCH)(H)2	H(CC[5a]CC)	107.0460	0.000	1	107.0460	0.000	1	107.6983	0.319	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C(CC[5a]2H)(COO)(H)2	H(CC[5a]2C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C(CC[5a]2H)(COO)(H)2	H(CC[5a]2C)	107.2870	0.624	2	107.2870	0.389	2	107.2870	0.389	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCO)(H)2	H(CC[5a]C[6a]C)	107.0960	0.000	1	107.0960	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CC[5a]C[6a]C)	106.6160	0.000	1	106.6160	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(COO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(COO)(H)2	H(CC[5a]C[6a]C)	107.4520	0.000	1	107.4520	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CC[5a]C[6a]C)	106.1540	0.000	1	106.1540	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCN)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCN)(H)2	H(CC[5a]C[6a]C)	105.7505	0.626	2	105.7505	0.392	2	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCO)(H)2	H(CC[5a]C[6a]C)	107.6530	0.662	2	107.6530	0.438	2	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	H(CC[5a]C[6a]C)	107.5840	0.000	1	107.5840	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	H(CC[5a]C[6a]C)	107.1560	0.000	1	107.1560	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CHO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CHO)(H)2	H(CC[5a]C[6a]C)	107.1450	0.000	1	107.1450	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CNO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CNO)(H)2	H(CC[5a]C[6a]C)	104.0830	0.000	1	104.0830	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[5a]O)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[5a]O)(H)2	H(CC[5a]C[6a]C)	107.2170	0.000	1	107.2170	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	H(CC[5a]C[6a]C)	106.9730	0.000	1	106.9730	0.000	1	106.7345	1.064	14	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]C)	106.0030	0.000	1	106.0030	0.000	1	105.7700	0.109	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	H(CC[5a]C[6a]C)	105.5370	0.000	1	105.5370	0.000	1	105.7700	0.109	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NCS)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NCS)(H)2	H(CC[5a]C[6a]C)	107.4065	0.046	2	107.4065	0.002	2	106.6372	1.313	18	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	106.6307	1.277	11	106.6307	1.632	11	106.6372	1.313	18	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	106.0203	1.332	3	106.0203	1.775	3	106.6372	1.313	18	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	H(CC[5a]C[6a]C)	106.9930	0.000	1	106.9930	0.000	1	106.6372	1.313	18	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	106.6640	0.000	1	106.6640	0.000	1	106.6372	1.313	18	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	C(CC[5a]HN)(CCC)(H)2	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	C(CC[5a]HN)(CCC)(H)2	H(CC[5a]CN)	109.2100	0.000	1	109.2100	0.000	1	108.3295	1.551	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CC[6a]N)(H)2	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CC[6a]N)(H)2	H(CC[5a]CN)	107.4490	0.000	1	107.4490	0.000	1	108.3295	1.551	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	H(CC[5a]N[5]C)	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	H(CC[5a]N[5]C)	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CC[6a]O)(H)2	H(CC[6]2C)	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CC[6a]O)(H)2	H(CC[6]2C)	104.6970	0.000	1	104.6970	0.000	1	104.6970	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	C(CC[6a]B[5]H)(CN[5]O)(H)2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	C(CC[6a]B[5]H)(CN[5]O)(H)2	H(CC[6a]B[5]C)	107.3083	0.662	4	107.3083	0.438	4	107.3083	0.438	4	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCFF)(H)	C(CC[6a]CH)(CN[6]O)(F)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCFF)(H)	C(CC[6a]CH)(CN[6]O)(F)2	H(CC[6a]CC)	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCFH)(H)	C(CC[6a]CH)(CN[6]O)(F)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCFH)(H)	C(CC[6a]CH)(CN[6]O)(F)(H)	H(CC[6a]CC)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.2500	0.000	1	108.2500	0.000	1	109.7848	4.716	4	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	110.8290	3.050	2	110.8290	9.305	2	109.7848	4.716	4	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	C(CC[6a]CH)(CCI)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	C(CC[6a]CH)(CCI)(H)2	H(CC[6a]CC)	109.2310	0.000	1	109.2310	0.000	1	109.7848	4.716	4	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	108.1420	0.000	1	108.1420	0.000	1	106.7725	3.751	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	105.4030	0.000	1	105.4030	0.000	1	106.7725	3.751	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[5]C)	103.4570	0.000	1	103.4570	0.000	1	103.4570	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	C(CC[5a]C[6a]H)(NOO)(H)2	H(CC[5a]C[6a]C)	105.9135	0.226	2	105.9135	0.051	2	105.9135	0.051	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	105.9770	0.089	2	105.9770	0.008	2	101.8688	50.637	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CHH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CHH)(H)2	H(CC[6a]C[6]C)	93.6523	0.000	1	93.6523	0.000	1	101.8688	50.637	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	105.8827	1.160	3	105.8827	1.346	3	105.8827	1.346	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)2(CCFF)(H)	C(CC[6a]2H)(CN[6]O)(F)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCFF)(H)	C(CC[6a]2H)(CN[6]O)(F)2	H(CC[6a]2C)	106.2090	0.000	1	106.2090	0.000	1	106.0000	0.087	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)2(CCFF)(H)	C(CC[6a]2H)(COO)(F)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCFF)(H)	C(CC[6a]2H)(COO)(F)2	H(CC[6a]2C)	105.7910	0.000	1	105.7910	0.000	1	106.0000	0.087	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCH)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCH)(H)2	H(CC[6a]2C)	107.4515	0.196	2	107.4515	0.038	2	106.9144	0.390	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CC[6]C)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CC[6]C)(H)2	H(CC[6a]2C)	107.1990	0.000	1	107.1990	0.000	1	106.9144	0.390	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CC[6a]O)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CC[6a]O)(H)2	H(CC[6a]2C)	107.1024	0.393	5	107.1024	0.154	5	106.9144	0.390	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CNO)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CNO)(H)2	H(CC[6a]2C)	106.5751	0.769	7	106.5751	0.592	7	106.9144	0.390	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(COO)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(COO)(H)2	H(CC[6a]2C)	106.9900	0.000	1	106.9900	0.000	1	106.9144	0.390	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]2H)(NHS)(H)2	H(CC[6a]2C)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]2H)(NHS)(H)2	H(CC[6a]2C)	107.2820	0.000	1	107.2820	0.000	1	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]2H)(NOO)(H)2	H(CC[6a]2C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]2H)(NOO)(H)2	H(CC[6a]2C)	97.9083	0.000	1	97.9083	0.000	1	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]2H)(NC[6a]C)(H)2	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]2H)(NC[6a]C)(H)2	H(CC[6a]2C)	107.1370	0.000	1	107.1370	0.000	1	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCH)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCH)(H)2	H(CC[6a]2C)	106.7620	0.327	3	106.7620	0.107	3	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCO)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCO)(H)2	H(CC[6a]2C)	107.1715	0.054	2	107.1715	0.003	2	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCS)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCS)(H)2	H(CC[6a]2C)	107.5890	0.840	2	107.5890	0.706	2	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NHS)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NHS)(H)2	H(CC[6a]2C)	106.6953	0.514	3	106.6953	0.264	3	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NOO)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NOO)(H)2	H(CC[6a]2C)	106.8383	0.509	3	106.8383	0.259	3	106.4210	5.376	16	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CCO)(F)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CCO)(F)2	H(CC[6a]CN)	106.8870	0.000	1	106.8870	0.000	1	107.1370	0.125	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCFF)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	H(CC[6a]CN)	107.3870	0.000	1	107.3870	0.000	1	107.1370	0.125	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	H(CC[6a]CN)	108.3370	0.240	2	108.3370	0.058	2	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	104.9920	0.000	1	104.9920	0.000	1	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCC)(H)2	H(CC[6a]CN)	108.0620	0.000	1	108.0620	0.000	1	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	107.4860	0.438	2	107.4860	0.192	2	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCN)(H)2	H(CC[6a]CN)	108.5160	0.000	1	108.5160	0.000	1	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCO)(H)2	H(CC[6a]CN)	108.1575	0.050	2	108.1575	0.003	2	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	H(CC[6a]CN)	108.4160	0.198	2	108.4160	0.039	2	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]N)(H)2	H(CC[6a]CN)	107.7003	0.676	7	107.7003	0.457	7	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	108.8520	0.594	2	108.8520	0.353	2	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	106.9290	0.000	1	106.9290	0.000	1	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	108.0110	0.000	1	108.0110	0.000	1	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	107.8480	0.000	1	107.8480	0.000	1	107.8590	0.757	23	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	H(CC[6a]N[5]C)	107.1370	0.000	1	107.1370	0.000	1	107.1370	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	H(CC[6a]N[5]C)	106.4615	0.114	2	106.4615	0.013	2	106.8960	0.258	4	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(COO)(H)2	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	C(CC[6a]N[5]H)(COO)(H)2	H(CC[6a]N[5]C)	107.3305	0.071	2	107.3305	0.005	2	106.8960	0.258	4	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	H(CC[6a]N[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	H(CC[6a]N[6]C)	106.5430	0.000	1	106.5430	0.000	1	106.5430	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	H(CC[6a]N[6]C)	106.6730	0.628	2	106.6730	0.394	2	106.6730	0.394	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:P-3:C-4:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C(CC[6a]HP)(PC[6a]2)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C(CC[6a]HP)(PC[6a]2)(H)2	H(CC[6a]CP)	110.4303	1.514	3	110.4303	2.293	3	110.4303	2.293	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	C[6a]-3:S-3:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]Ru)(CHHS)(H)	C(CC[6a]HS)(SC[6a]Ru)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]Ru)(CHHS)(H)	C(CC[6a]HS)(SC[6a]Ru)(H)2	H(CC[6a]CS)	105.6420	0.000	1	105.6420	0.000	1	105.6420	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	C(CC[6a]N[5]H)(COO)(F)2	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	C(CC[6a]N[5]H)(COO)(F)2	H(CC[6a]N[5]C)	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	H(CC[6a]N[5]C)	107.9638	0.411	17	107.9638	0.169	17	107.9638	0.169	17	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NHS)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NHS)(H)2	H(CC[6a]N[5]C)	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCH)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCH)(H)2	H(CN[5]2C)	107.2130	0.412	2	107.2130	0.169	2	107.5430	0.411	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnC)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnC)(H)2	H(CN[5]2C)	108.2030	0.000	1	108.2030	0.000	1	107.5430	0.411	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMnH)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHO)(H)	C(CN[5]2H)(OMnH)(H)2	H(CN[5]2C)	106.8060	0.712	3	106.8060	0.507	3	106.8060	0.507	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SCrC)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHS)(H)	C(CN[5]2H)(SCrC)(H)2	H(CN[5]2C)	106.8100	0.000	2	106.8100	0.000	2	106.8100	0.000	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	H(CC[6a]N[5a]C)	108.5695	0.573	2	108.5695	0.329	2	108.2657	0.441	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5a]H)(COO)(H)2	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5a]H)(COO)(H)2	H(CC[6a]N[5a]C)	107.6580	0.000	1	107.6580	0.000	1	108.2657	0.441	3	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	P-3:P-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(CNO)(H)2	H(CCPP)	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(CNO)(H)2	H(CCPP)	107.3900	0.000	1	107.3900	0.000	1	108.7210	3.543	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:1:1:	4:	P-3:P-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(COO)(H)2	H(CCPP)	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(COO)(H)2	H(CCPP)	110.0520	0.000	1	110.0520	0.000	1	108.7210	3.543	2	107.1314	2.939	181	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(COO)(NC)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(COO)(NC)(H)	H(CC[5a]C[6a]C)	105.7710	0.000	1	105.7710	0.000	1	105.7710	0.000	1	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NC)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NC)(H)	H(CC[6a]2C)	106.7080	0.000	1	106.7080	0.000	1	106.8630	0.048	2	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NS)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NS)(H)	H(CC[6a]2C)	107.0180	0.000	1	107.0180	0.000	1	106.8630	0.048	2	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CNO)(OH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CNO)(OH)(H)	H(CC[6a]2C)	105.8080	0.000	1	105.8080	0.000	1	105.8080	0.000	1	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OC)(H)	H(CC[6a]CN)	106.5110	0.000	1	106.5110	0.000	1	106.7000	0.704	7	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	H(CC[6a]CN)	107.3460	0.000	1	107.3460	0.000	1	106.7000	0.704	7	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(CNO)(OH)(H)	H(CC[6a]CN)	106.2565	0.138	2	106.2565	0.019	2	106.7000	0.704	7	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OH)(H)	H(CC[6a]CN)	107.4800	0.000	1	107.4800	0.000	1	106.7000	0.704	7	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OSi)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	C(CC[6a]HN)(COO)(OSi)(H)	H(CC[6a]CN)	106.5250	1.640	2	106.5250	2.691	2	106.7000	0.704	7	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[6a]-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	H(CC[6a]N[5]C)	106.7830	0.000	1	106.7830	0.000	1	106.7830	0.000	1	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	H(CC[6a]N[6]C)	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	H(CC[6a]N[6]C)	108.5073	0.170	3	108.5073	0.029	3	108.5073	0.029	3	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:N[6a]-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[6a]H)(COO)(OH)(H)	H(CC[6a]N[6a]C)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[6a]H)(COO)(OH)(H)	H(CC[6a]N[6a]C)	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	C[6a]-3:S-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C(CC[6a]HS)(CNO)(OH)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	C(CC[6a]HS)(CNO)(OH)(H)	H(CC[6a]CS)	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	H(CC[6a]N[5a]C)	107.4700	0.000	1	107.4700	0.000	1	107.5485	0.012	2	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[5a]H)(COO)(OH)(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[5a]H)(COO)(OH)(H)	H(CC[6a]N[5a]C)	107.6270	0.000	1	107.6270	0.000	1	107.5485	0.012	2	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:2:1:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:O-2:H-1:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	H(CC[6a]N[6]C)	106.2735	0.008	2	106.2735	0.000	2	106.2735	0.000	2	106.9226	0.791	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C-3:C-3:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]O)2(CCHN)(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	C(CC[6a]O)2(CCHN)(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]N[5]2)2(CCCH)(H)	C(CC[5]2H)(COO)2(H)	H(CC[5]2C)	C(C[5]N[5]2)2(CCCH)(H)	C(CC[5]2H)(COO)2(H)	H(CC[5]2C)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]C[5]H)(COO)2(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]C[5]H)(COO)2(H)	H(CC[6a]C[5]C)	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-3:H-1:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(COO)(H)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(COO)(H)	H(CC[6a]C[5]C)	107.4153	0.048	3	107.4153	0.002	3	107.4153	0.002	3	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	108.2590	0.000	1	108.2590	0.000	1	108.6105	0.247	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	108.9620	0.000	1	108.9620	0.000	1	108.6105	0.247	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]N[5a]2)2(CCCH)(H)	C(CC[5a]2H)(COO)2(H)	H(CC[5a]2C)	C(C[5a]N[5a]2)2(CCCH)(H)	C(CC[5a]2H)(COO)2(H)	H(CC[5a]2C)	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	107.6710	0.000	1	107.6710	0.000	1	107.4564	0.210	7	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(CCO)2(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(CCO)2(H)	H(CC[5a]C[6a]C)	107.5110	0.000	1	107.5110	0.000	1	107.4564	0.210	7	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	107.0455	0.303	2	107.0455	0.092	2	107.4564	0.210	7	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	107.3705	0.494	2	107.3705	0.244	2	107.4564	0.210	7	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(COO)2(H)	H(CC[5a]C[6a]C)	108.1810	0.000	1	108.1810	0.000	1	107.4564	0.210	7	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(COO)(NHN)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(COO)(NHN)(H)	H(CC[5a]C[6a]C)	107.1950	0.635	2	107.1950	0.403	2	107.1950	0.403	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(CC[5a]C[6a]C)	107.9740	0.000	1	107.9740	0.000	1	107.5220	0.409	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	H(CC[5a]C[6a]C)	107.0700	0.000	1	107.0700	0.000	1	107.5220	0.409	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	H(CC[5a]C[6a]C)	107.5440	0.000	1	107.5440	0.000	1	107.5870	0.004	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:H-1:	C-4:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	H(CC[5a]C[6a]C)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	H(CC[5a]C[6a]C)	107.6300	0.000	1	107.6300	0.000	1	107.5870	0.004	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(NNiC)(COO)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(NNiC)(COO)(H)	H(CC[5a]C[6a]C)	106.0870	0.000	1	106.0870	0.000	1	106.0870	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N[5]-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	H(CC[5a]C[6a]C)	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6,6]-3:C[5]-3:C-4:H-1:	C-4:N[5]-3:N[5]-3:H-1:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	H(CC[6,6]C[5]C)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	H(CC[6,6]C[5]C)	104.4280	0.000	1	104.4280	0.000	1	104.4280	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:B[5]-3:B[5]-3:H-1:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	H(CC[6a]B[5]C)	106.1470	0.000	1	106.1470	0.000	1	106.1470	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:H-1:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	H(CC[6a]B[5]C)	107.6330	0.038	2	107.6330	0.001	2	107.6330	0.001	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C(CC[6a]C[5]H)(CC[6a]O)2(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	C(CC[6a]C[5]H)(CC[6a]O)2(H)	H(CC[6a]C[5]C)	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CCO)(CNO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CCO)(CNO)(H)	H(CC[6a]2C)	106.0290	0.000	1	106.0290	0.000	1	106.6183	0.207	4	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]O)(CCO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]O)(CCO)(H)	H(CC[6a]2C)	106.9305	0.281	2	106.9305	0.079	2	106.6183	0.207	4	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]O)(COO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]O)(COO)(H)	H(CC[6a]2C)	106.5830	0.000	1	106.5830	0.000	1	106.6183	0.207	4	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(CNO)(NCH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(CNO)(NCH)(H)	H(CC[6a]2C)	106.7390	0.000	1	106.7390	0.000	1	106.6880	0.140	4	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NCH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NCH)(H)	H(CC[6a]2C)	106.9335	0.047	2	106.9335	0.002	2	106.6880	0.140	4	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NHH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(COO)(NHH)(H)	H(CC[6a]2C)	106.1460	0.000	1	106.1460	0.000	1	106.6880	0.140	4	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(COO)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(COO)2(H)	H(CC[6a]CN)	108.2045	0.422	2	108.2045	0.178	2	108.2045	0.178	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[6a]-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	H(CC[6a]N[5]C)	106.2798	3.132	6	106.2798	9.812	6	106.2798	9.812	6	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C(CC[6a]N[6]H)(COO)2(H)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C(CC[6a]N[6]H)(COO)2(H)	H(CC[6a]N[6]C)	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	N[5]-3:C-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	C(CN[5]CH)(CCH)2(H)	H(CN[5]CC)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	C(CN[5]CH)(CCH)2(H)	H(CN[5]CC)	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]N[5]H)(CCC)(COO)(H)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]N[5]H)(CCC)(COO)(H)	H(CC[6a]N[5]C)	108.2953	1.373	3	108.2953	1.885	3	108.2953	1.885	3	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]N[5a]H)(COO)2(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]N[5a]H)(COO)2(H)	H(CC[6a]N[5a]C)	107.9107	0.388	3	107.9107	0.151	3	107.9107	0.151	3	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-3:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]N[5a]H)(C[6a]C[6a]2)(CCH)(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]N[5a]H)(C[6a]C[6a]2)(CCH)(H)	H(CC[6a]N[5a]C)	106.5025	0.156	2	106.5025	0.024	2	106.5025	0.024	2	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:1:	4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:C[6a]-3:O-3:H-1:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	H(CN[5a]N[5]C)	105.9520	0.000	1	105.9520	0.000	1	105.9520	0.000	1	107.2505	1.820	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:2:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C(CC[5a]C[6a]H)(COO)2(OH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCCO)(H)	C(CC[5a]C[6a]H)(COO)2(OH)	H(CC[5a]C[6a]C)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	106.6530	0.741	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:2:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C(CC[6a]2H)(COO)2(OC)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CC[6a]2H)(COO)2(OC)	H(CC[6a]2C)	105.9315	0.271	2	105.9315	0.073	2	105.9315	0.073	2	106.6530	0.741	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:2:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C(CC[6a]N[5a]H)(COO)2(OH)	H(CC[6a]N[5a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCCO)(H)	C(CC[6a]N[5a]H)(COO)2(OH)	H(CC[6a]N[5a]C)	107.5580	0.000	1	107.5580	0.000	1	107.5580	0.000	1	106.6530	0.741	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:3:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:N-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C(CC[5a]C[6a]H)(COO)2(NHH)	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCN)(H)	C(CC[5a]C[6a]H)(COO)2(NHH)	H(CC[5a]C[6a]C)	106.8760	0.246	2	106.8760	0.061	2	106.8760	0.061	2	106.8760	0.061	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:3:4:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C-4:	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(CN[5]2H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[6a]2C[5])(H)	C(C[5]C[5]2Zr)(C[6a]C[6a]2)2(CN[5]2H)	H(CN[5]2C)	106.5000	0.000	2	106.5000	0.000	2	106.5000	0.000	2	106.5000	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[5]-3:C[6]-3:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(CC[5]C[6]C)	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[6a]C)	107.8630	0.000	1	107.8630	0.000	1	106.5078	2.132	4	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[6a]C)	104.4640	0.000	1	104.4640	0.000	1	106.5078	2.132	4	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	H(CC[5a]C[6a]C)	107.1210	0.000	1	107.1210	0.000	1	106.5078	2.132	4	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[6a]C)	106.5830	0.000	1	106.5830	0.000	1	106.5078	2.132	4	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	H(CC[6a]CC)	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	H(CC[6a]2C)	106.8120	0.000	1	106.8120	0.000	1	106.9775	0.055	2	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	H(CC[6a]2C)	107.1430	0.000	1	107.1430	0.000	1	106.9775	0.055	2	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	H(CC[6a]CN)	106.4210	0.000	1	106.4210	0.000	1	107.3380	1.536	3	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	H(CC[6a]CN)	107.7965	1.346	2	107.7965	1.811	2	107.3380	1.536	3	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	H(CC[6a]CN)	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	C[6a]-3:P-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C(CC[6a]HP)(NFeC)(CH3)(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C(CC[6a]HP)(NFeC)(CH3)(H)	H(CC[6a]CP)	105.9570	0.758	2	105.9570	0.575	2	105.9570	0.575	2	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:1:	4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	H(CN[5a]N[5]C)	106.7690	0.000	1	106.7690	0.000	1	106.7690	0.000	1	106.9574	1.270	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:2:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-4:C-2:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	H(CC[6a]2C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	H(CC[6a]2C)	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:3:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C[6]-3:C-4:C-3:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	H(CC[6a]N[5]C)	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:4:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	H(CC[5a]C[6a]C)	104.0150	0.000	1	104.0150	0.000	1	104.0150	0.000	1	105.6353	2.191	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:4:	4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CC[6]N[5]H)(OZnH)(CH3)2	H(CC[6]N[5]C)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CC[6]N[5]H)(OZnH)(CH3)2	H(CC[6]N[5]C)	105.9740	0.000	1	105.9740	0.000	1	105.9740	0.000	1	105.6353	2.191	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:3:4:4:	4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C(CN[5a]N[5]H)(SZn2)(CH3)2	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C(CN[5a]N[5]H)(SZn2)(CH3)2	H(CN[5a]N[5]C)	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	105.6353	2.191	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	H(CB[6a]B[5]C)	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	H(CB[6a]B[5]C)	108.9640	0.401	3	108.9640	0.161	3	108.9640	0.161	3	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)2(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]O)2(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.3720	1.321	3	108.3720	1.746	3	108.4138	1.171	4	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]O)2(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[5a]O)2(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.5390	0.000	1	108.5390	0.000	1	108.4138	1.171	4	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:C[5]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)2(CCHH)(H)	C(CC[5]2H)(CCHH)(H)2	H(CC[5]2C)	C(C[5]N[5]2)2(CCHH)(H)	C(CC[5]2H)(CCHH)(H)2	H(CC[5]2C)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[5]CC)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[5]CC)(H)2	H(CC[6a]C[5]C)	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C(CC[6a]C[5]H)(SFOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	C(CC[6a]C[5]H)(SFOO)(H)2	H(CC[6a]C[5]C)	106.6040	0.000	1	106.6040	0.000	1	106.6040	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C(CC[5a]2H)(CCHH)(H)2	H(CC[5a]2C)	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C(CC[5a]2H)(CCHH)(H)2	H(CC[5a]2C)	106.6800	0.000	1	106.6800	0.000	1	106.5092	0.296	6	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C(CC[5a]2H)(CCCH)(H)2	H(CC[5a]2C)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C(CC[5a]2H)(CCCH)(H)2	H(CC[5a]2C)	107.4240	0.000	1	107.4240	0.000	1	106.5092	0.296	6	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C(CC[5a]2H)(CHHN)(H)2	H(CC[5a]2C)	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C(CC[5a]2H)(CHHN)(H)2	H(CC[5a]2C)	106.2690	0.000	1	106.2690	0.000	1	106.5092	0.296	6	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CC[5a]2H)(CClHH)(H)2	H(CC[5a]2C)	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CC[5a]2H)(CClHH)(H)2	H(CC[5a]2C)	106.4340	0.000	1	106.4340	0.000	1	106.5092	0.296	6	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CC[5a]2H)(CH3)(H)2	H(CC[5a]2C)	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CC[5a]2H)(CH3)(H)2	H(CC[5a]2C)	105.7670	0.000	1	105.7670	0.000	1	106.5092	0.296	6	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)2(CCHH)(H)	C(CC[5a]2H)(CCHH)(H)2	H(CC[5a]2C)	C(C[5a]N[5a]2)2(CCHH)(H)	C(CC[5a]2H)(CCHH)(H)2	H(CC[5a]2C)	106.4810	0.000	1	106.4810	0.000	1	106.5092	0.296	6	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCCH)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCCH)(H)2	H(CC[5a]C[6a]C)	107.5400	0.000	1	107.5400	0.000	1	106.9428	0.316	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCHH)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCHH)(H)2	H(CC[5a]C[6a]C)	106.4590	0.000	1	106.4590	0.000	1	106.9428	0.316	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCHO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CCHO)(H)2	H(CC[5a]C[6a]C)	106.9530	0.000	1	106.9530	0.000	1	106.9428	0.316	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CF3)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CF3)(H)2	H(CC[5a]C[6a]C)	107.4570	0.000	1	107.4570	0.000	1	106.9428	0.316	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CHHO)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[5a]C[6a]H)(CHHO)(H)2	H(CC[5a]C[6a]C)	106.3050	0.000	1	106.3050	0.000	1	106.9428	0.316	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(CC[5a]C[6a]C)	107.8405	0.248	2	107.8405	0.062	2	107.8405	0.062	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CH3)(H)2	H(CC[5a]CN)	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CH3)(H)2	H(CC[5a]CN)	108.2900	0.000	1	108.2900	0.000	1	107.9030	0.075	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC[5a]CN)	107.7115	0.227	2	107.7115	0.052	2	107.9030	0.075	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CCHO)(H)2	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[5a]HN)(CCHO)(H)2	H(CC[5a]CN)	107.9010	0.163	2	107.9010	0.026	2	107.9030	0.075	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[5a]-3:N[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C(CC[5a]N[6]H)(CC3)(H)2	H(CC[5a]N[6]C)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C(CC[5a]N[6]H)(CC3)(H)2	H(CC[5a]N[6]C)	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CCCH)(H)2	H(CC[6]2C)	C(C[6]C[6]2)2(CCHH)(H)	C(CC[6]2H)(CCCH)(H)2	H(CC[6]2C)	106.7493	0.193	4	106.7493	0.037	4	106.9026	0.146	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])2(CCHH)(H)	C(CC[6]2H)(CCHH)(H)2	H(CC[6]2C)	C(C[6]C[6]N[6])2(CCHH)(H)	C(CC[6]2H)(CCHH)(H)2	H(CC[6]2C)	107.5160	0.000	1	107.5160	0.000	1	106.9026	0.146	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])2(CHHP)(H)	C(CC[6]2H)(PRuCC)(H)2	H(CC[6]2C)	C(C[6]C[6]N[6])2(CHHP)(H)	C(CC[6]2H)(PRuCC)(H)2	H(CC[6]2C)	105.9805	0.098	2	105.9805	0.010	2	105.9805	0.010	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	107.4160	0.000	1	107.4160	0.000	1	107.2180	0.078	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	107.0200	0.000	1	107.0200	0.000	1	107.2180	0.078	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6]-3:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	H(CC[6]CP)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	H(CC[6]CP)	107.1225	2.050	2	107.1225	4.202	2	107.1225	4.202	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	H(CC[6a]B[5]C)	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	109.0530	0.000	1	109.0530	0.000	1	108.2369	1.826	7	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	C(CC[6a]CH)(CC[5]CC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	C(CC[6a]CH)(CC[5]CC)(H)2	H(CC[6a]CC)	106.6190	0.000	1	106.6190	0.000	1	108.2369	1.826	7	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.7680	0.000	1	107.7680	0.000	1	108.2369	1.826	7	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC[6a]CC)	110.2880	0.000	1	110.2880	0.000	1	108.2369	1.826	7	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	106.5530	0.000	1	106.5530	0.000	1	108.2369	1.826	7	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.6885	0.059	2	108.6885	0.003	2	108.2369	1.826	7	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	C(CC[6a]CH)(NCCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	C(CC[6a]CH)(NCCH)(H)2	H(CC[6a]CC)	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CC)	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]C[5]H)(CHHN)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]C[5]H)(CHHN)(H)2	H(CC[6a]C[5]C)	107.4410	0.000	1	107.4410	0.000	1	107.4410	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(CC[5a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	H(CC[5a]C[6a]C)	106.4390	0.000	1	106.4390	0.000	1	106.4390	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	H(CC[5a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	H(CC[5a]C[6a]C)	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	106.0627	0.907	4	106.0627	0.822	4	106.1506	0.572	12	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CF3)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CF3)(H)2	H(CC[6a]C[6]C)	106.0610	0.000	1	106.0610	0.000	1	106.1506	0.572	12	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	106.2136	0.792	7	106.2136	0.627	7	106.1506	0.572	12	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NCCH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C(CC[6a]C[6]H)(NCCH)(H)2	H(CC[6a]C[6]C)	103.2160	0.000	1	103.2160	0.000	1	103.2160	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:P-4:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C(CC[6a]C[6]H)(PC[6a]3)(F)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C(CC[6a]C[6]H)(PC[6a]3)(F)2	H(CC[6a]C[6]C)	104.6250	0.000	1	104.6250	0.000	1	104.6250	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CCFF)(H)2	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CCFF)(H)2	H(CC[6a]2C)	107.1020	0.000	1	107.1020	0.000	1	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CH3)(H)2	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CH3)(H)2	H(CC[6a]2C)	105.0460	0.000	1	105.0460	0.000	1	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCCH)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCCH)(H)2	H(CC[6a]2C)	107.0637	0.220	3	107.0637	0.048	3	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	H(CC[6a]2C)	106.8455	0.503	151	106.8455	0.253	151	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCHO)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CCHO)(H)2	H(CC[6a]2C)	106.1150	0.079	2	106.1150	0.006	2	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CC[6a]HH)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CC[6a]HH)(H)2	H(CC[6a]2C)	107.4071	0.440	16	107.4071	0.193	16	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CH3)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CH3)(H)2	H(CC[6a]2C)	106.7340	0.462	128	106.7340	0.213	128	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CHHN)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CHHN)(H)2	H(CC[6a]2C)	106.9967	0.556	3	106.9967	0.309	3	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CHHO)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CHHO)(H)2	H(CC[6a]2C)	107.1840	0.000	1	107.1840	0.000	1	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CHHN)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CHHN)(H)2	H(CC[6a]2C)	107.0252	0.343	4	107.0252	0.118	4	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	H(CC[6a]2C)	105.7710	0.000	1	105.7710	0.000	1	106.8224	0.263	311	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCuHH)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHN)(H)	C(CC[6a]2H)(NCuHH)(H)2	H(CC[6a]2C)	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CHHS)(H)	C(CC[6a]2H)(SC[6a]OO)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CHHS)(H)	C(CC[6a]2H)(SC[6a]OO)(H)2	H(CC[6a]2C)	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]HH)(H)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	H(CC[6a]2C)	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	108.0470	0.208	2	108.0470	0.043	2	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	108.3495	0.057	2	108.3495	0.003	2	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	107.5170	0.577	2	107.5170	0.333	2	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC3)(H)2	H(CC[6a]CN)	107.5910	0.000	1	107.5910	0.000	1	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC[6a]CN)	106.3950	0.000	1	106.3950	0.000	1	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CC[6a]CN)	107.1540	0.140	4	107.1540	0.020	4	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC[6a]CN)	108.0090	0.000	1	108.0090	0.000	1	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CCHO)(H)2	H(CC[6a]CN)	108.2733	0.825	4	108.2733	0.680	4	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	H(CC[6a]CN)	107.8770	0.000	1	107.8770	0.000	1	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	108.8240	0.000	1	108.8240	0.000	1	107.8017	0.503	19	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N-3:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)(H)	C(PC[6a]2Ni)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)(H)	C(PC[6a]2Ni)(CC[6a]HN)(H)2	H(CC[6a]CN)	106.6670	0.000	1	106.6670	0.000	1	106.6670	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	H(CC[6a]N[5]C)	106.6930	0.000	1	106.6930	0.000	1	106.9035	0.089	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	H(CC[6a]N[5]C)	107.1140	0.000	1	107.1140	0.000	1	106.9035	0.089	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C(CC[6a]N[5]H)(SCOO)(H)2	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	C(CC[6a]N[5]H)(SCOO)(H)2	H(CC[6a]N[5]C)	106.5544	0.483	5	106.5544	0.233	5	106.5544	0.233	5	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C(CC[6a]N[5a]H)(CH3)(H)(I)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C(CC[6a]N[5a]H)(CH3)(H)(I)	H(CC[6a]N[5a]C)	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	H(CC[6a]N[5]C)	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NNiCH)(H)2	H(CC[6a]N[5]C)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]N[5]H)(NNiCH)(H)2	H(CC[6a]N[5]C)	108.5150	0.044	2	108.5150	0.002	2	108.5150	0.002	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NAlCrC)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NAlCrC)(H)2	H(CN[5]2C)	107.1230	0.000	1	107.1230	0.000	1	107.6606	0.265	10	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCrCH)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCrCH)(H)2	H(CN[5]2C)	107.4565	0.028	2	107.4565	0.001	2	107.6606	0.265	10	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCuHH)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NCuHH)(H)2	H(CN[5]2C)	107.3267	0.367	3	107.3267	0.135	3	107.6606	0.265	10	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnCH)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NMnCH)(H)2	H(CN[5]2C)	108.3377	0.122	3	108.3377	0.015	3	107.6606	0.265	10	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NReHH)(H)2	H(CN[5]2C)	C(N[5]C[5]N[5])2(CHHN)(H)	C(CN[5]2H)(NReHH)(H)2	H(CN[5]2C)	107.5770	0.000	1	107.5770	0.000	1	107.6606	0.265	10	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5a]-3:C[5a]-3:C-4:H-1:	C-4:C[6]-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	H(CC[5a]N[5a]C)	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	H(CC[5a]N[5a]C)	106.6340	0.031	2	106.6340	0.001	2	106.6340	0.001	2	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:1:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C(CC[6a]N[5a]H)(CHHO)(H)(I)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C(CC[6a]N[5a]H)(CHHO)(H)(I)	H(CC[6a]N[5a]C)	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	106.9492	0.590	426	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	H(CC[5a]C[6a]C)	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:C-4:Se-2:H-1:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	H(CC[6a]B[5]C)	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	H(CC[6a]C[6]C)	105.2670	0.000	1	105.2670	0.000	1	105.2670	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CCCH)(OC)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CCCH)(OC)(H)	H(CC[6a]2C)	103.8030	0.000	1	103.8030	0.000	1	105.5846	3.425	5	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CH3)(OC)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CH3)(OC)(H)	H(CC[6a]2C)	106.9263	0.216	3	106.9263	0.047	3	105.5846	3.425	5	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CHHO)(OH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CC[6a]2H)(CHHO)(OH)(H)	H(CC[6a]2C)	103.3410	0.000	1	103.3410	0.000	1	105.5846	3.425	5	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)2(CC[6]HO)(H)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC[6]HO)(H)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	H(CC[6a]2C)	106.2600	0.000	1	106.2600	0.000	1	106.2600	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	H(CC[6a]CN)	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C(CC[6a]N[5]H)(CH3)(OH)(H)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C(CC[6a]N[5]H)(CH3)(OH)(H)	H(CC[6a]N[5]C)	106.1830	0.000	1	106.1830	0.000	1	106.1830	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	C[6a]-3:S-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	C(CC[6a]HS)(CHHO)(OP)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	C(CC[6a]HS)(CHHO)(OP)(H)	H(CC[6a]CS)	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	N-3:N-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[5a]H)2(CCHO)(H)	C(CHHO)(CHNN)(OH)(H)	H(CCNN)	C(NC[5a]H)2(CCHO)(H)	C(CHHO)(CHNN)(OH)(H)	H(CCNN)	109.3670	0.000	1	109.3670	0.000	1	109.3670	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]N[5])2(CCHO)(H)	C(CN[5]2H)(CC3)(OZn)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CCHO)(H)	C(CN[5]2H)(CC3)(OZn)(H)	H(CN[5]2C)	107.5090	0.000	1	107.5090	0.000	1	107.5090	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	H(CC[6a]N[5a]C)	106.4580	0.000	1	106.4580	0.000	1	106.4580	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:2:1:	4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(CC3)(OAl)(H)	H(CN[5a]N[5]C)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CN[5a]N[5]H)(CC3)(OAl)(H)	H(CN[5a]N[5]C)	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	106.6999	2.592	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C-3:C-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)2(CCCH)(H)	C(CCCH)(CCHH)(COO)(H)	H(CC3)	C(CC[6a]O)2(CCCH)(H)	C(CCCH)(CCHH)(COO)(H)	H(CC3)	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	H(CC[6a]C[5]C)	106.9433	0.401	3	106.9433	0.161	3	106.9433	0.161	3	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	H(CC[5a]C[6a]C)	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	C(CC[6a]B[5]H)(CH3)(CCO)(H)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	C(CC[6a]B[5]H)(CH3)(CCO)(H)	H(CC[6a]B[5]C)	107.3125	0.093	2	107.3125	0.009	2	107.3125	0.009	2	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	H(CC[6a]C[6]C)	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	H(CC[6a]C[6]C)	106.6845	0.115	2	106.6845	0.013	2	106.6845	0.013	2	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	H(CC[6a]2C)	107.0993	0.110	3	107.0993	0.012	3	106.3844	1.906	5	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	H(CC[6a]2C)	105.3120	1.940	2	105.3120	3.765	2	106.3844	1.906	5	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(CHHO)(NHS)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(CHHO)(NHS)(H)	H(CC[6a]2C)	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(NH3)(CNO)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CC[6a]2H)(NH3)(CNO)(H)	H(CC[6a]2C)	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CCHH)(CCO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CC[6a]HN)(CCHH)(CCO)(H)	H(CC[6a]CN)	107.9270	0.000	1	107.9270	0.000	1	106.6310	1.260	3	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	H(CC[6a]CN)	105.9830	0.010	2	105.9830	0.000	2	106.6310	1.260	3	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CN)	107.2200	0.000	1	107.2200	0.000	1	106.4617	0.444	3	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CN)	106.0825	0.156	2	106.0825	0.024	2	106.4617	0.444	3	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:N-3:Cl-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	H(CC[6a]N[5]C)	103.3280	0.000	1	103.3280	0.000	1	103.3280	0.000	1	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	H(CC[6a]N[5a]C)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	H(CC[6a]N[5a]C)	107.6470	0.000	1	107.6470	0.000	1	106.9578	0.225	4	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:1:	4:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	H(CC[6a]N[5a]C)	106.7280	0.145	3	106.7280	0.021	3	106.9578	0.225	4	106.7129	1.116	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:3:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]2H)(CCHH)(COO)2	H(CC[6a]2C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC[6a]2H)(CCHH)(COO)2	H(CC[6a]2C)	107.3810	0.000	1	107.3810	0.000	1	107.3810	0.000	1	105.9665	0.957	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:3:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CCHH)(COO)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CCHH)(COO)2	H(CC[6a]CN)	105.5045	0.450	2	105.5045	0.203	2	105.4950	0.102	3	105.9665	0.957	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:3:3:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CC[5]HH)(COO)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CC[6a]HN)(CC[5]HH)(COO)2	H(CC[6a]CN)	105.4760	0.000	1	105.4760	0.000	1	105.4950	0.102	3	105.9665	0.957	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	H(CC[5a]C[6a]C)	105.7220	0.000	1	105.7220	0.000	1	105.9475	0.102	2	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(CCHH)2(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CC[5a]C[6a]H)(CCHH)2(H)	H(CC[5a]C[6a]C)	106.1730	0.000	1	106.1730	0.000	1	105.9475	0.102	2	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CH3)2(H)	H(CC[6a]C[6]C)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C(CC[6a]C[6]H)(CH3)2(H)	H(CC[6a]C[6]C)	103.2805	0.350	2	103.2805	0.123	2	103.2805	0.123	2	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CH3)2(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CH3)2(H)	H(CC[6a]2C)	97.7137	0.000	1	97.7137	0.000	1	97.7137	0.000	1	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CC[6a]2C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CC[6a]2C)	106.3810	0.028	2	106.3810	0.001	2	105.8544	0.941	5	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)2(CCHS)(H)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCHS)(H)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CC[6a]2C)	105.5033	1.191	3	105.5033	1.419	3	105.8544	0.941	5	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	H(CN[5]2C)	105.9600	0.000	1	105.9600	0.000	1	106.0186	0.201	5	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	H(CN[5]2C)	106.2903	0.064	3	106.2903	0.004	3	106.0186	0.201	5	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:1:	4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	H(CN[5]2C)	105.2620	0.000	1	105.2620	0.000	1	106.0186	0.201	5	105.2456	5.666	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:2:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CH3)2(CN)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CH3)2(CN)	H(CC[6a]2C)	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	105.5362	0.338	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:2:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C(CC[6a]2H)(CH3)2(OH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CC[6a]2H)(CH3)2(OH)	H(CC[6a]2C)	106.3990	0.000	1	106.3990	0.000	1	105.4247	0.795	3	105.5362	0.338	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:2:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)2(CCCO)(H)	C(CC[6a]2H)2(CH3)(OH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CC[6a]2H)2(CH3)(OH)	H(CC[6a]2C)	104.9375	0.407	2	104.9375	0.165	2	105.4247	0.795	3	105.5362	0.338	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:2:	4:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C(CC[6a]N[5a]H)(CH3)2(OH)	H(CC[6a]N[5a]C)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C(CC[6a]N[5a]H)(CH3)2(OH)	H(CC[6a]N[5a]C)	106.3840	0.000	1	106.3840	0.000	1	106.3840	0.000	1	105.5362	0.338	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:2:	4:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(N[5]C[5]N[5])2(CCCS)(H)	C(CN[5]2H)(CH3)2(SZn)	H(CN[5]2C)	C(N[5]C[5]N[5])2(CCCS)(H)	C(CN[5]2H)(CH3)2(SZn)	H(CN[5]2C)	105.6205	0.264	4	105.6205	0.070	4	105.6205	0.070	4	105.5362	0.338	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:2:	4:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C(CN[5a]2H)(CH3)2(SZn)	H(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C(CN[5a]2H)(CH3)2(SZn)	H(CN[5a]2C)	105.5340	0.284	2	105.5340	0.081	2	105.5340	0.081	2	105.5362	0.338	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:3:	4:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C(CC[6a]C[5]H)(CH3)2(NOO)	H(CC[6a]C[5]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C(CC[6a]C[5]H)(CH3)2(NOO)	H(CC[6a]C[5]C)	105.2830	0.129	4	105.2830	0.017	4	105.2830	0.017	4	105.9379	2.208	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:3:	4:	C[6]-3:N-3:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C(CC[6]HN)(CH3)2(COO)	H(CC[6]CN)	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C(CC[6]HN)(CH3)2(COO)	H(CC[6]CN)	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	105.9379	2.208	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:3:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CHHO)(CH3)(CCH)	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CHHO)(CH3)(CCH)	H(CC[6a]2C)	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	105.9379	2.208	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:3:	4:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CC[6a]CN)	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	105.9379	2.208	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C-3:O-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]C)(OAl2)(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CC[6a]C)(OAl2)(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	108.3385	0.009	2	108.3385	0.000	2	108.3385	0.000	2	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C(CC[5a]N[5]H)(CH3)3	H(CC[5a]N[5]C)	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C(CC[5a]N[5]H)(CH3)3	H(CC[5a]N[5]C)	105.4450	0.000	1	105.4450	0.000	1	105.4450	0.000	1	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2)2(CC3)(H)	C(CC[6]2H)(CH3)3	H(CC[6]2C)	C(C[6]C[6]2)2(CC3)(H)	C(CC[6]2H)(CH3)3	H(CC[6]2C)	104.7705	0.281	2	104.7705	0.079	2	104.7705	0.079	2	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6]-3:O-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C(CC[6]HO)(CH3)3	H(CC[6]CO)	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C(CC[6]HO)(CH3)3	H(CC[6]CO)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C(CC[6a]C[6]H)(CH3)3	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C(CC[6a]C[6]H)(CH3)3	H(CC[6a]C[6]C)	104.3110	0.000	1	104.3110	0.000	1	104.3110	0.000	1	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CH3)3	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CH3)3	H(CC[6a]2C)	103.0897	1.616	6	103.0897	2.613	6	103.3019	2.492	7	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CHHO)(CH3)2	H(CC[6a]2C)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC[6a]2H)(CHHO)(CH3)2	H(CC[6a]2C)	104.5750	0.000	1	104.5750	0.000	1	103.3019	2.492	7	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	H(CC[6a]N[5]C)	105.6172	0.514	6	105.6172	0.264	6	105.2968	0.210	24	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	H(CC[6a]N[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	H(CC[6a]N[5]C)	104.4815	0.695	2	104.4815	0.483	2	105.2968	0.210	24	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC[6a]N[5]H)(CH3)3	H(CC[6a]N[5]C)	105.2786	0.269	16	105.2786	0.072	16	105.2968	0.210	24	105.1345	2.156	38	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	C-3:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	H(CCCH)	C(CC[5]O)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	H(CCCH)	108.7865	0.265	4	108.7865	0.070	4	108.7865	0.070	4	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	C-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.2220	0.052	2	109.2220	0.003	2	109.2220	0.003	2	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CHHN)(H)2	C(NC[6])(CHHN)(H)2	H(CCHN)	C(NC[6]H)(CHHN)(H)2	C(NC[6])(CHHN)(H)2	H(CCHN)	109.8225	0.350	2	109.8225	0.123	2	109.8225	0.123	2	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NC[5]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(NC[5]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.7213	0.090	3	109.7213	0.008	3	109.3045	0.224	59	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.2112	0.431	14	109.2112	0.186	14	109.3045	0.224	59	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.3437	0.473	40	109.3437	0.224	40	109.3045	0.224	59	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NP[6]H)(CHHO)(H)2	C(OP[6])(CHHN)(H)2	H(CCHN)	C(NP[6]H)(CHHO)(H)2	C(OP[6])(CHHN)(H)2	H(CCHN)	108.5495	0.018	2	108.5495	0.000	2	109.3045	0.224	59	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(NC[5]Fe)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(NC[5]Fe)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.2130	0.050	3	109.2130	0.002	3	109.4124	0.268	11	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.4600	0.914	4	109.4600	0.835	4	109.4124	0.268	11	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	N-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.5143	0.018	4	109.5143	0.000	4	109.4124	0.268	11	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	P-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	108.1121	0.984	7	108.1121	0.969	7	108.1121	0.969	7	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	P-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHS)(H)2	C(SB[5x3,5x5,20x6])(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHS)(H)2	C(SB[5x3,5x5,20x6])(CHHP)(H)2	H(CCHP)	108.7998	0.512	4	108.7998	0.262	4	108.8705	0.227	10	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	P-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	108.9177	0.495	6	108.9177	0.245	6	108.8705	0.227	10	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:1:1:	4:	Se-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(SeC[5]Cu)(CHHO)(H)2	C(OC[6a])(CSeHH)(H)2	H(CSeCH)	C(SeC[5]Cu)(CHHO)(H)2	C(OC[6a])(CSeHH)(H)2	H(CSeCH)	109.2320	0.355	4	109.2320	0.126	4	109.2320	0.126	4	109.1733	0.369	99	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	2:4:4:1:	4:	N-3:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(NC[6a]S)(CCHO)(H)2	C(OC[6])(CHHN)(CH3)(H)	H(CCHN)	C(NC[6a]S)(CCHO)(H)2	C(OC[6])(CHHN)(CH3)(H)	H(CCHN)	108.9735	0.011	2	108.9735	0.000	2	108.9735	0.000	2	108.9735	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:2:4:1:	4:	N-3:C-4:H-1:H-1:	C-3:O-2:C-4:H-1:	C-4:	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(ON[5])(CHHN)(H)	H(CCHN)	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(ON[5])(CHHN)(H)	H(CCHN)	108.9250	0.007	2	108.9250	0.000	2	108.9250	0.000	2	108.9250	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	B[5]-3:B[5]-3:B[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CB[5]3)(H)2	C(B[5]O[5]2)3(CC[6a]HH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]3)(H)2	C(B[5]O[5]2)3(CC[6a]HH)	H(CC[6a]CH)	108.0425	0.029	2	108.0425	0.001	2	108.0425	0.001	2	107.9438	0.018	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]3)(H)2	C(C[6a]C[6a]2)3(CC[6a]HH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]3)(H)2	C(C[6a]C[6a]2)3(CC[6a]HH)	H(CC[6a]CH)	107.8945	0.139	4	107.8945	0.019	4	107.8945	0.019	4	107.9438	0.018	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C-3:C-4:H-1:H-1:	P-3:P-3:C-4:H-1:	C-4:	C(CC[6a]O)(CHPP)(H)2	C(PC[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]O)(CHPP)(H)2	C(PC[6a]2)2(CCHH)(H)	H(CCCH)	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CC[5a]C[6a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[5]HH)(H)	H(CC[5]CH)	108.5925	0.011	2	108.5925	0.000	2	108.5925	0.000	2	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	H(CC[5a]CH)	108.8985	0.019	2	108.8985	0.000	2	109.0213	0.045	3	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(H)	H(CC[5a]CH)	109.2670	0.000	1	109.2670	0.000	1	109.0213	0.045	3	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	B[5]-3:B[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]2H)(H)2	C(B[5]O[5]2)2(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]2H)(H)2	C(B[5]O[5]2)2(CC[6a]HH)(H)	H(CC[6a]CH)	108.5005	0.022	2	108.5005	0.000	2	108.5005	0.000	2	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	B[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	H(CC[6a]CH)	108.9830	0.011	2	108.9830	0.000	2	108.9830	0.000	2	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C(C[5a]C[5a]N[5a])(C[5a]N[5a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	108.8610	0.020	2	108.8610	0.000	2	109.3697	0.345	4	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]2H)(H)2	C(C[5a]C[5a]O[5a])2(CC[6a]HH)(H)	H(CC[6a]CH)	109.8785	0.012	2	109.8785	0.000	2	109.3697	0.345	4	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	H(CC[6a]CH)	108.8310	0.613	8	108.8310	0.376	8	108.8537	0.295	10	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(H)	H(CC[6a]CH)	108.9445	0.008	2	108.9445	0.000	2	108.8537	0.295	10	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(H)2	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]2H)(H)2	C(N[5]C[5]N[5])2(CC[6a]HH)(H)	H(CC[6a]CH)	109.3185	0.295	10	109.3185	0.087	10	109.3185	0.087	10	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	N-3:C-4:H-1:H-1:	C-3:N-3:C-4:H-1:	C-4:	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	H(CCHN)	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]O)(NC[6a]C)(CHHN)(H)	H(CCHN)	109.5345	0.084	2	109.5345	0.007	2	109.5345	0.007	2	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CN[5a]HH)(H)	H(CN[5a]CH)	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	N[6a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	H(CN[6a]CH)	108.6205	1.307	2	108.6205	1.709	2	108.6205	1.709	2	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	O-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(OC[6a]Cr)(CN[5]2H)(H)2	C(N[5]C[5]N[5])2(CHHO)(H)	H(CCHO)	C(OC[6a]Cr)(CN[5]2H)(H)2	C(N[5]C[5]N[5])2(CHHO)(H)	H(CCHO)	109.7495	0.035	4	109.7495	0.001	4	109.7495	0.001	4	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:1:	4:	S-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(SC[6a]Cu)(CN[5]2H)(H)2	C(N[5]C[5]N[5])2(CHHS)(H)	H(CCHS)	C(SC[6a]Cu)(CN[5]2H)(H)2	C(N[5]C[5]N[5])2(CHHS)(H)	H(CCHS)	108.0100	0.051	2	108.0100	0.003	2	108.0100	0.003	2	109.0574	0.315	45	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(OMo)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(OMo)	H(CC[6]CH)	108.5610	0.048	2	108.5610	0.002	2	108.2343	0.184	39	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(ORu)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(ORu)	H(CC[6]CH)	108.2166	0.433	37	108.2166	0.188	37	108.2343	0.184	39	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCo)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCo)	H(CC[6]CH)	110.7960	1.252	4	110.7960	1.568	4	108.9199	1.347	21	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCu)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SCu)	H(CC[6]CH)	107.8585	0.081	4	107.8585	0.006	4	108.9199	1.347	21	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SMo)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SMo)	H(CC[6]CH)	108.6048	0.432	6	108.6048	0.187	6	108.9199	1.347	21	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SV)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SV)	H(CC[6]CH)	109.2890	0.127	3	109.2890	0.016	3	108.9199	1.347	21	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SZn)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(SZn)	H(CC[6]CH)	108.3010	0.209	4	108.3010	0.044	4	108.9199	1.347	21	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	H(CC[6a]CH)	108.4952	0.335	4	108.4952	0.112	4	108.5074	0.069	14	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(OH)	H(CC[6a]CH)	108.5122	0.249	10	108.5122	0.062	10	108.5074	0.069	14	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(SH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]2S)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(SH)	H(CC[6a]CH)	108.3040	0.045	2	108.3040	0.002	2	108.3040	0.002	2	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CN[5a]HH)(OH)	H(CN[5a]CH)	108.7955	0.032	2	108.7955	0.001	2	108.7955	0.001	2	108.4841	0.539	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:3:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(C[5a]C[5a]S[5a])(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(CNO)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(CNO)	H(CC[5a]CH)	107.9408	0.149	4	107.9408	0.022	4	107.9408	0.022	4	107.7578	0.094	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(COO)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CC[6a]HH)(COO)	H(CC[6a]CH)	107.3920	0.047	2	107.3920	0.002	2	107.3920	0.002	2	107.7578	0.094	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:4:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	H(CC[5a]CH)	108.3180	0.030	2	108.3180	0.001	2	108.3180	0.001	2	108.6459	0.106	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]2C)(H)2	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]2C)(H)2	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	H(CC[6a]CH)	108.4590	0.243	4	108.4590	0.059	4	108.5072	0.056	5	108.6459	0.106	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	H(CC[6a]CH)	108.7000	0.000	1	108.7000	0.000	1	108.5072	0.056	5	108.6459	0.106	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:3:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	H(CN[5a]CH)	108.9832	0.146	4	108.9832	0.021	4	108.9832	0.021	4	108.6459	0.106	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	As-3:C-4:H-1:H-1:	As-3:C-4:H-1:H-1:	C-4:	C(AsC[6a]2)(CAsHH)(H)2	C(AsC[6a]2)(CAsHH)(H)2	H(CAsCH)	C(AsC[6a]2)(CAsHH)(H)2	C(AsC[6a]2)(CAsHH)(H)2	H(CAsCH)	109.6690	0.040	2	109.6690	0.002	2	109.6690	0.002	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	B[6,6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	H(CB[6,6]CH)	107.6540	0.006	2	107.6540	0.000	2	107.6540	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	B[6,6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	H(CB[6,6]CH)	108.2365	0.336	4	108.2365	0.113	4	108.2365	0.113	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.3023	0.104	4	108.3023	0.011	4	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5a]2)(CCHH)(H)2	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]2)(CCHH)(H)2	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	109.5292	0.301	18	109.5292	0.090	18	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5a]O)(CCHH)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	108.9873	0.052	6	108.9873	0.003	6	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6]C)(CCHH)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CC[6]C)(CCHH)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	109.0155	0.074	2	109.0155	0.006	2	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6]N)(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	H(CCCH)	C(CC[6]N)(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	H(CCCH)	109.2826	0.192	8	109.2826	0.037	8	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	109.3437	0.139	3	109.3437	0.019	3	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	110.1520	0.023	2	110.1520	0.001	2	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]N)(CCHH)(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	C(CC[6a]N)(CCHH)(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	109.0073	0.214	6	109.0073	0.046	6	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.9008	0.100	6	108.9008	0.010	6	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[5a]O)(CCHH)(H)2	C(CN[5a]O)(CCHH)(H)2	H(CCCH)	C(CN[5a]O)(CCHH)(H)2	C(CN[5a]O)(CCHH)(H)2	H(CCCH)	109.6870	0.084	4	109.6870	0.007	4	109.2455	0.193	59	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]C[4])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[3x3,4,3x5,14x6]C[4])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9840	0.295	4	108.9840	0.087	4	108.9840	0.087	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CC[5]O)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	109.0048	0.100	9	109.0048	0.010	9	109.0692	0.043	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]N)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CC[6a]N)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.4400	0.030	2	109.4400	0.001	2	109.0692	0.043	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	109.1004	0.267	5	109.1004	0.071	5	109.0692	0.043	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[5a]O)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CN[5a]O)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.9105	0.049	2	108.9105	0.002	2	109.0692	0.043	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.9985	0.022	2	108.9985	0.000	2	108.7329	1.233	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]N[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]N[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.6526	0.518	17	108.6526	0.268	17	108.7329	1.233	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HH)(H)2	C(C[5]N[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HH)(H)2	C(C[5]N[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.7314	1.265	61	108.7314	1.600	61	108.7329	1.233	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CC[5]HH)(H)2	C(C[5]N[5]O[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[5]HH)(H)2	C(C[5]N[5]O[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.9648	0.734	4	108.9648	0.539	4	108.7329	1.233	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	H(CC[5]CH)	109.5770	0.021	3	109.5770	0.000	3	109.5770	0.000	3	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	107.9100	0.051	2	107.9100	0.003	2	108.8758	0.411	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.7963	0.679	14	108.7963	0.462	14	108.8758	0.411	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.8135	0.008	2	109.8135	0.000	2	108.8758	0.411	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.8560	0.156	4	108.8560	0.024	4	108.8758	0.411	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.1254	0.382	5	109.1254	0.146	5	108.8758	0.411	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.4055	0.015	2	109.4055	0.000	2	109.4055	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	110.1835	2.717	2	110.1835	7.384	2	109.7113	2.759	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.2390	0.023	2	109.2390	0.001	2	109.7113	2.759	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]BrH)(Br)(H)	C(C[6a]C[6a]2)(CC[5a]BrH)(Br)(H)	H(CC[5a]BrC)	C(C[5a]N[5a]S[5a])(CC[6a]BrH)(Br)(H)	C(C[6a]C[6a]2)(CC[5a]BrH)(Br)(H)	H(CC[5a]BrC)	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[5a]HH)(H)2	H(CC[5a]CH)	108.8607	0.378	21	108.8607	0.143	21	108.8814	0.129	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.0267	0.132	3	109.0267	0.018	3	108.8814	0.129	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.0630	0.066	2	109.0630	0.004	2	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.4435	0.006	2	108.4435	0.000	2	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.6090	0.006	2	109.6090	0.000	2	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.0580	0.021	2	109.0580	0.000	2	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.9175	0.008	2	108.9175	0.000	2	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.1931	0.251	8	109.1931	0.063	8	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.7200	0.006	2	108.7200	0.000	2	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.8480	0.387	12	108.8480	0.150	12	108.9795	0.136	32	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.0141	0.211	19	109.0141	0.045	19	109.0360	0.045	21	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.2450	0.035	2	109.2450	0.001	2	109.0360	0.045	21	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.5270	0.068	2	108.5270	0.005	2	108.8830	0.171	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	H(CC[5a]CH)	109.2390	0.021	2	109.2390	0.000	2	108.8830	0.171	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	H(CC[5a]CH)	108.4459	0.508	28	108.4459	0.258	28	108.4459	0.258	28	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	H(CC[5a]CH)	108.7965	0.034	4	108.7965	0.001	4	109.3022	0.084	21	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	H(CC[5a]CH)	109.5096	0.121	11	109.5096	0.015	11	109.3022	0.084	21	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.2592	0.071	6	109.2592	0.005	6	109.3022	0.084	21	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C-4:H-1:H-1:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	H(CC[6,6]CH)	109.1020	0.062	2	109.1020	0.004	2	109.1020	0.004	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6,6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6,6]CH)	108.4005	0.023	2	108.4005	0.001	2	108.4005	0.001	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.7722	0.209	4	108.7722	0.044	4	108.7722	0.044	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	108.8668	0.102	6	108.8668	0.010	6	108.7347	0.640	168	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.8486	0.697	105	108.8486	0.485	105	108.7347	0.640	168	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	108.3322	0.948	47	108.3322	0.900	47	108.7347	0.640	168	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	109.8398	0.064	4	109.8398	0.004	4	108.7347	0.640	168	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]N[6]2)(CC[6]HH)(H)2	C(C[6]N[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]N[6]2)(CC[6]HH)(H)2	C(C[6]N[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	109.0255	0.307	6	109.0255	0.094	6	108.7347	0.640	168	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.8724	0.081	10	108.8724	0.007	10	108.6593	2.150	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.7797	0.417	3	108.7797	0.174	3	108.6593	2.150	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	109.2450	0.017	2	109.2450	0.000	2	108.6593	2.150	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	H(CC[6]CH)	109.1475	0.019	2	109.1475	0.000	2	108.6593	2.150	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.6404	1.890	35	108.6404	3.571	35	108.6593	2.150	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.0931	1.009	8	108.0931	1.017	8	108.6593	2.150	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	H(CC[6]CH)	108.8427	0.011	3	108.8427	0.000	3	108.6593	2.150	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]Pd)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]Pd)(CC[6]HH)(H)2	H(CC[6]CH)	108.9017	0.020	3	108.9017	0.000	3	108.9017	0.000	3	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.7765	0.025	2	108.7765	0.001	2	108.7765	0.001	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	109.2190	0.016	2	109.2190	0.000	2	108.9795	0.035	6	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.8597	0.025	4	108.8597	0.001	4	108.9795	0.035	6	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C[5a]-3:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]BrH)(Br)(H)	C(C[5a]N[5a]S[5a])(CC[6a]BrH)(Br)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CC[5a]BrH)(Br)(H)	C(C[5a]N[5a]S[5a])(CC[6a]BrH)(Br)(H)	H(CC[6a]BrC)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	C(C[6a]C[6a]2)(CC[6a]FH)(F)(H)	H(CC[6a]CF)	108.1088	0.876	4	108.1088	0.767	4	108.1088	0.767	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	H(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	H(CC[6a]CF)	109.0535	0.134	2	109.0535	0.018	2	109.0535	0.018	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]C[4])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]C[4])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9830	0.212	3	108.9830	0.045	3	108.9830	0.045	3	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]B[5]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.5340	0.028	2	109.5340	0.001	2	109.1650	0.354	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2639	0.728	14	109.2639	0.529	14	109.1650	0.354	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]N[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8970	0.018	2	108.8970	0.000	2	109.1650	0.354	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4250	0.014	3	109.4250	0.000	3	109.1650	0.354	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5]O[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7707	0.358	6	108.7707	0.128	6	109.1650	0.354	27	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5,5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	107.8785	0.040	2	107.8785	0.002	2	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.4565	0.011	2	108.4565	0.000	2	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1465	0.021	2	109.1465	0.000	2	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2320	0.065	2	109.2320	0.004	2	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1683	0.764	7	109.1683	0.584	7	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]N[5a,6]C[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0825	0.013	2	109.0825	0.000	2	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0042	0.435	12	109.0042	0.189	12	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]N[6a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.2285	0.019	2	108.2285	0.000	2	108.9122	0.334	31	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	H(CC[6a]CH)	110.0965	0.030	2	110.0965	0.001	2	110.0965	0.001	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.7285	0.053	2	109.7285	0.003	2	108.4412	2.964	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9428	0.080	12	108.9428	0.006	12	108.4412	2.964	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5x3,5x5,21x6]C[4,6])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7015	0.694	4	108.7015	0.482	4	108.4412	2.964	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4825	0.023	2	109.4825	0.001	2	108.4412	2.964	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.2313	2.265	31	108.2313	5.130	31	108.4412	2.964	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	107.6732	1.375	8	107.6732	1.892	8	108.4412	2.964	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.6737	0.076	4	108.6737	0.006	4	108.4412	2.964	63	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(F)(H)	H(CC[6a]CH)	108.9435	0.100	4	108.9435	0.010	4	108.9435	0.010	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0732	0.153	9	109.0732	0.024	9	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9493	0.038	4	108.9493	0.001	4	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1005	0.065	4	109.1005	0.004	4	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9913	0.157	4	108.9913	0.025	4	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.5649	1.726	12	108.5649	2.980	12	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.5504	0.567	14	108.5504	0.322	14	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.3995	0.195	4	109.3995	0.038	4	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9985	0.066	4	108.9985	0.004	4	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.6298	0.583	13	109.6298	0.339	13	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7363	1.015	1772	108.7363	1.030	1772	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9150	0.433	58	108.9150	0.188	58	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7560	0.400	3	108.7560	0.160	3	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1673	0.024	3	109.1673	0.001	3	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1558	0.559	57	109.1558	0.312	57	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.3401	3.762	10	109.3401	14.154	10	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.5040	0.179	4	108.5040	0.032	4	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	106.7435	0.054	2	106.7435	0.003	2	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0653	0.167	3	109.0653	0.028	3	108.7640	1.040	1980	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[4]-3:C-4:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CN[4]FF)(H)2	C(N[4]C[4]O[4])(CC[6a]HH)(F)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[4]FF)(H)2	C(N[4]C[4]O[4])(CC[6a]HH)(F)2	H(CC[6a]CH)	109.3190	0.018	2	109.3190	0.000	2	109.3190	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8830	0.383	4	108.8830	0.147	4	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.4458	0.861	4	108.4458	0.741	4	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0397	0.356	12	109.0397	0.127	12	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2364	0.677	11	109.2364	0.458	11	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2358	0.495	14	109.2358	0.245	14	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1840	0.713	62	109.1840	0.509	62	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.2842	0.106	10	108.2842	0.011	10	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1090	1.197	4	109.1090	1.432	4	109.0692	0.472	121	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1248	0.612	4	109.1248	0.374	4	109.1295	0.355	77	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0646	1.071	15	109.0646	1.148	15	109.1295	0.355	77	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2150	0.353	35	109.2150	0.125	35	109.1295	0.355	77	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0086	0.488	21	109.0086	0.238	21	109.1295	0.355	77	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4000	0.030	2	109.4000	0.001	2	109.1295	0.355	77	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.6773	0.379	4	109.6773	0.143	4	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7485	0.012	2	108.7485	0.000	2	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.6770	0.000	1	108.6770	0.000	1	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4551	0.198	10	109.4551	0.039	10	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1918	0.578	78	109.1918	0.334	78	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.6535	1.111	2	109.6535	1.234	2	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.3770	0.028	2	109.3770	0.001	2	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9210	0.021	2	108.9210	0.000	2	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]N[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9425	0.005	2	108.9425	0.000	2	109.2251	0.301	103	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8835	0.032	2	108.8835	0.001	2	109.3930	0.154	12	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4949	0.345	10	109.4949	0.119	10	109.3930	0.154	12	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]N)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]N)(CHHN)(H)2	H(CCHN)	109.2230	0.074	2	109.2230	0.005	2	109.2213	0.241	19	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	H(CCHN)	108.8296	0.076	10	108.8296	0.006	10	109.2213	0.241	19	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	109.6312	0.204	5	109.6312	0.042	5	109.2213	0.241	19	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]O)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]O)(CHHN)(H)2	H(CCHN)	110.1530	0.006	2	110.1530	0.000	2	109.2213	0.241	19	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Pd)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(NC[6a]Pd)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.9218	0.542	4	108.9218	0.294	4	108.9218	0.294	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NB[5a]C[6a])(CHHN)(H)2	C(NB[5a]C[6a])(CHHN)(H)2	H(CCHN)	C(NB[5a]C[6a])(CHHN)(H)2	C(NB[5a]C[6a])(CHHN)(H)2	H(CCHN)	109.0987	0.608	4	109.0987	0.370	4	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[3x6]C)(CHHN)(H)2	C(NC[3x6]C)(CHHN)(H)2	H(CCHN)	C(NC[3x6]C)(CHHN)(H)2	C(NC[3x6]C)(CHHN)(H)2	H(CCHN)	107.9525	1.000	12	107.9525	1.001	12	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5]Cu)(CHHN)(H)2	C(NC[5]Cu)(CHHN)(H)2	H(CCHN)	C(NC[5]Cu)(CHHN)(H)2	C(NC[5]Cu)(CHHN)(H)2	H(CCHN)	110.1893	0.250	11	110.1893	0.062	11	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	H(CCHN)	C(NC[5]H)(CHHN)(H)2	C(NC[5]H)(CHHN)(H)2	H(CCHN)	109.0940	0.370	8	109.0940	0.137	8	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5]Mo)(CHHN)(H)2	C(NC[5]Mo)(CHHN)(H)2	H(CCHN)	C(NC[5]Mo)(CHHN)(H)2	C(NC[5]Mo)(CHHN)(H)2	H(CCHN)	110.0652	0.328	16	110.0652	0.107	16	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5]Ni)(CHHN)(H)2	C(NC[5]Ni)(CHHN)(H)2	H(CCHN)	C(NC[5]Ni)(CHHN)(H)2	C(NC[5]Ni)(CHHN)(H)2	H(CCHN)	110.1508	0.074	4	110.1508	0.005	4	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5]Pd)(CHHN)(H)2	C(NC[5]Pd)(CHHN)(H)2	H(CCHN)	C(NC[5]Pd)(CHHN)(H)2	C(NC[5]Pd)(CHHN)(H)2	H(CCHN)	110.4553	0.196	4	110.4553	0.038	4	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5]Ru)(CHHN)(H)2	C(NC[5]Ru)(CHHN)(H)2	H(CCHN)	C(NC[5]Ru)(CHHN)(H)2	C(NC[5]Ru)(CHHN)(H)2	H(CCHN)	110.4622	0.130	8	110.4622	0.017	8	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5a]H)(CHHN)(H)2	C(NC[5a]H)(CHHN)(H)2	H(CCHN)	C(NC[5a]H)(CHHN)(H)2	C(NC[5a]H)(CHHN)(H)2	H(CCHN)	109.0270	0.037	2	109.0270	0.001	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[5a]N)(CHHN)(H)2	C(NC[5a]N)(CHHN)(H)2	H(CCHN)	C(NC[5a]N)(CHHN)(H)2	C(NC[5a]N)(CHHN)(H)2	H(CCHN)	109.4600	0.000	1	109.4600	0.000	1	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6]C)(CHHN)(H)2	C(NC[6]C)(CHHN)(H)2	H(CCHN)	C(NC[6]C)(CHHN)(H)2	C(NC[6]C)(CHHN)(H)2	H(CCHN)	109.3130	0.158	4	109.3130	0.025	4	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	C(NC[6]H)(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	109.5010	0.175	21	109.5010	0.031	21	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Al)(CHHN)(H)2	C(NC[6a]Al)(CHHN)(H)2	H(CCHN)	C(NC[6a]Al)(CHHN)(H)2	C(NC[6a]Al)(CHHN)(H)2	H(CCHN)	109.9878	0.066	4	109.9878	0.004	4	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.1634	0.814	49	109.1634	0.663	49	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.6475	0.238	2	109.6475	0.057	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]Ni)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]Ni)(CHHN)(H)2	H(CCHN)	109.4575	0.026	2	109.4575	0.001	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Fe)(CHHN)(H)2	C(NC[6a]Fe)(CHHN)(H)2	H(CCHN)	C(NC[6a]Fe)(CHHN)(H)2	C(NC[6a]Fe)(CHHN)(H)2	H(CCHN)	109.7210	0.092	2	109.7210	0.008	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	108.0745	0.363	2	108.0745	0.132	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.0165	0.016	2	109.0165	0.000	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Mn)(CHHN)(H)2	C(NC[6a]Mn)(CHHN)(H)2	H(CCHN)	C(NC[6a]Mn)(CHHN)(H)2	C(NC[6a]Mn)(CHHN)(H)2	H(CCHN)	109.0452	0.048	4	109.0452	0.002	4	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Ni)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(NC[6a]Ni)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.7875	0.005	2	109.7875	0.000	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]P)(CHHN)(H)2	C(NC[6a]P)(CHHN)(H)2	H(CCHN)	C(NC[6a]P)(CHHN)(H)2	C(NC[6a]P)(CHHN)(H)2	H(CCHN)	109.4140	0.158	4	109.4140	0.025	4	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Sn)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	C(NC[6a]Sn)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	109.3834	0.554	45	109.3834	0.307	45	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NP[6]H)(CHHN)(H)2	C(NP[6]H)(CHHN)(H)2	H(CCHN)	C(NP[6]H)(CHHN)(H)2	C(NP[6]H)(CHHN)(H)2	H(CCHN)	109.2277	0.027	3	109.2277	0.001	3	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NSi[5,5]C)(CHHN)(H)2	C(NSi[5]C)(CHHN)(H)2	H(CCHN)	C(NSi[5,5]C)(CHHN)(H)2	C(NSi[5]C)(CHHN)(H)2	H(CCHN)	108.3990	0.013	2	108.3990	0.000	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NSi[5]C)(CHHN)(H)2	C(NSi[5,5]C)(CHHN)(H)2	H(CCHN)	C(NSi[5]C)(CHHN)(H)2	C(NSi[5,5]C)(CHHN)(H)2	H(CCHN)	108.7160	0.027	2	108.7160	0.001	2	109.3931	0.595	220	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(NC[5]Fe)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	C(NC[5]Fe)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	109.2920	0.031	2	109.2920	0.001	2	108.9289	0.120	7	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	108.5693	0.054	3	108.5693	0.003	3	108.9289	0.120	7	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CHHP)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	109.1050	0.007	2	109.1050	0.000	2	108.9289	0.120	7	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(N[4]C[4]2)(CN[4]HH)(H)2	C(N[4]C[4]2)(CN[4]HH)(H)2	H(CN[4]CH)	C(N[4]C[4]2)(CN[4]HH)(H)2	C(N[4]C[4]2)(CN[4]HH)(H)2	H(CN[4]CH)	108.7536	0.318	14	108.7536	0.101	14	108.7536	0.101	14	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.9700	0.059	4	108.9700	0.004	4	108.9700	0.004	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	109.2560	0.035	2	109.2560	0.001	2	109.2560	0.001	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CN[5]CH)	109.3078	0.221	18	109.3078	0.049	18	109.2844	0.049	20	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.0745	0.032	2	109.0745	0.001	2	109.2844	0.049	20	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.4070	0.054	2	109.4070	0.003	2	109.4070	0.003	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.9952	0.255	12	108.9952	0.065	12	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	H(CN[5]CH)	107.4643	0.041	3	107.4643	0.002	3	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.9813	0.623	12	108.9813	0.388	12	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.1978	0.230	13	109.1978	0.053	13	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	H(CN[5]CH)	108.0885	0.689	4	108.0885	0.474	4	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.2166	0.385	62	109.2166	0.148	62	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5]HH)(H)2	H(CN[5]CH)	109.6870	0.546	4	109.6870	0.298	4	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.7334	0.192	10	108.7334	0.037	10	109.0629	0.280	120	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	108.2673	0.583	6	108.2673	0.340	6	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.3775	2.227	2	109.3775	4.958	2	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	109.2197	0.798	38	109.2197	0.637	38	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.0220	0.017	2	109.0220	0.000	2	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	C(N[5]C[5,6a]Se[5])(CN[5]HH)(H)2	H(CN[5]CH)	109.8058	0.139	6	109.8058	0.019	6	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	109.6640	0.000	1	109.6640	0.000	1	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	109.1800	0.006	2	109.1800	0.000	2	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.9316	0.890	331	108.9316	0.793	331	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	108.9732	0.544	12	108.9732	0.296	12	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.8167	0.633	12	108.8167	0.401	12	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	107.4113	6.175	26	107.4113	38.131	26	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CN[5]HH)(H)2	C(N[5]C[5]S[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]S[5])(CN[5]HH)(H)2	C(N[5]C[5]S[5])(CN[5]HH)(H)2	H(CN[5]CH)	108.6147	0.078	3	108.6147	0.006	3	108.8707	3.007	441	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5]CH)	109.3895	0.006	2	109.3895	0.000	2	109.1907	0.245	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.2835	0.153	4	109.2835	0.023	4	109.1907	0.245	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	H(CN[5]CH)	109.0769	0.213	10	109.0769	0.045	10	109.1907	0.245	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.5840	0.007	2	109.5840	0.000	2	109.1907	0.245	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5]CH)	109.2670	1.487	3	109.2670	2.211	3	109.1907	0.245	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	H(CN[5]CH)	108.9757	0.118	3	108.9757	0.014	3	109.1907	0.245	24	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.2863	0.026	3	109.2863	0.001	3	109.0072	0.193	23	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.5780	0.000	1	109.5780	0.000	1	109.0072	0.193	23	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.0644	0.219	7	109.0644	0.048	7	109.0072	0.193	23	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	H(CN[5]CH)	109.1328	0.896	4	109.1328	0.802	4	109.0072	0.193	23	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.7722	0.182	6	108.7722	0.033	6	109.0072	0.193	23	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.5565	0.005	2	108.5565	0.000	2	109.0072	0.193	23	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	H(CN[5]CH)	109.0083	0.328	3	109.0083	0.108	3	109.0083	0.108	3	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(OC[6a]Ir)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(OC[6a]Ir)(CN[5]HH)(H)2	H(CN[5]CH)	109.3450	0.007	2	109.3450	0.000	2	109.3450	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	108.9195	0.040	2	108.9195	0.002	2	109.2490	0.036	15	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	109.2742	0.131	5	109.2742	0.017	5	109.2490	0.036	15	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Ru)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]Ru)(CN[5]HH)(H)2	H(CN[5]CH)	109.2908	0.235	4	109.2908	0.055	4	109.2490	0.036	15	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	109.3140	0.023	2	109.3140	0.001	2	109.2490	0.036	15	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Rh)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(SC[6a]Rh)(CN[5]HH)(H)2	H(CN[5]CH)	109.3670	0.030	2	109.3670	0.001	2	109.2490	0.036	15	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CSeHH)(H)2	C(SeC[6]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CSeHH)(H)2	C(SeC[6]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	109.5310	0.059	2	109.5310	0.004	2	109.2185	0.257	14	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	110.1030	0.037	2	110.1030	0.001	2	109.2185	0.257	14	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Ag)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Ag)(CN[5]HH)(H)2	H(CN[5]CH)	108.6690	0.085	2	108.6690	0.007	2	109.2185	0.257	14	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	109.2505	0.037	4	109.2505	0.001	4	109.2185	0.257	14	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5]HH)(H)2	H(CN[5]CH)	109.1960	0.006	2	109.1960	0.000	2	109.2185	0.257	14	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Rh)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C(SeC[6a]Rh)(CN[5]HH)(H)2	H(CN[5]CH)	108.5295	0.042	2	108.5295	0.002	2	109.2185	0.257	14	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	C(C[5]N[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	C(C[5]N[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	110.9855	1.085	2	110.9855	1.178	2	110.3827	1.679	3	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CC[5]HH)(H)2	C(C[5]N[5]O[5])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1770	0.000	1	109.1770	0.000	1	110.3827	1.679	3	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.3165	0.032	2	109.3165	0.001	2	109.4783	0.035	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.6400	0.025	2	109.6400	0.001	2	109.4783	0.035	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]B[5a]C[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.0645	0.646	4	109.0645	0.418	4	109.1520	0.171	82	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1894	0.799	16	109.1894	0.638	16	109.1520	0.171	82	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.0993	0.238	37	109.0993	0.057	37	109.1520	0.171	82	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.2105	0.028	2	109.2105	0.001	2	109.1520	0.171	82	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.2210	0.177	23	109.2210	0.031	23	109.1520	0.171	82	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1192	0.101	4	109.1192	0.010	4	109.3441	0.890	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.2013	0.166	10	109.2013	0.028	10	109.3441	0.890	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.6650	0.013	2	109.6650	0.000	2	109.3441	0.890	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.6123	0.076	3	109.6123	0.006	3	109.3441	0.890	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	110.0980	4.340	2	110.0980	18.838	2	109.3441	0.890	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1873	0.238	4	109.1873	0.057	4	109.3441	0.890	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.6045	1.186	2	109.6045	1.406	2	109.2774	0.152	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.3070	0.049	4	109.3070	0.002	4	109.2774	0.152	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.3554	0.556	20	109.3554	0.309	20	109.2774	0.152	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.2797	0.293	48	109.2797	0.086	48	109.2774	0.152	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.0298	0.166	4	109.0298	0.028	4	109.2774	0.152	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	C(N[5a]Ge[5a]C[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.0320	0.289	3	109.0320	0.084	3	109.2774	0.152	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]N[5a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.0387	0.257	3	109.0387	0.066	3	109.2774	0.152	84	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.4622	1.998	6	109.4622	3.991	6	109.4622	3.991	6	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.2050	0.020	2	109.2050	0.000	2	109.2704	0.035	10	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	H(CN[5a]CH)	109.2867	0.209	8	109.2867	0.044	8	109.2704	0.035	10	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	C(SeC[6a]Pd)(CN[5a]HH)(H)2	H(CN[5a]CH)	108.6910	0.020	2	108.6910	0.000	2	108.6910	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CN[6,6]CH)	108.0247	0.514	28	108.0247	0.264	28	108.0247	0.264	28	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	108.9530	0.539	4	108.9530	0.290	4	108.6403	0.461	22	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	108.1631	0.119	12	108.1631	0.014	12	108.6403	0.461	22	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	109.3862	0.663	6	109.3862	0.440	6	108.6403	0.461	22	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	H(CN[6]CH)	108.9983	0.627	3	108.9983	0.393	3	109.1926	0.267	5	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.4840	0.042	2	109.4840	0.002	2	109.1926	0.267	5	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.9790	0.424	3	108.9790	0.180	3	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.9410	0.004	2	108.9410	0.000	2	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.9750	0.000	1	108.9750	0.000	1	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	H(CN[6]CH)	109.4810	0.020	2	109.4810	0.000	2	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.7222	0.468	10	108.7222	0.219	10	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.2911	0.507	78	109.2911	0.257	78	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.9595	0.046	2	108.9595	0.002	2	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	106.7495	1.624	2	106.7495	2.638	2	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.7460	0.000	1	108.7460	0.000	1	109.1569	0.403	101	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.9780	2.050	4	109.9780	4.202	4	109.0500	0.867	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	108.5106	0.397	5	108.5106	0.158	5	109.0500	0.867	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	H(CN[6]CH)	109.7335	0.049	2	109.7335	0.002	2	109.0500	0.867	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	108.7224	0.193	7	108.7224	0.037	7	109.0500	0.867	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.9768	0.417	5	108.9768	0.174	5	109.0500	0.867	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[6]HH)(H)2	H(CN[6]CH)	109.1890	0.016	2	109.1890	0.000	2	109.0500	0.867	25	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	108.4144	1.484	7	108.4144	2.201	7	108.4144	2.201	7	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	108.7775	0.154	4	108.7775	0.024	4	109.2742	0.635	164	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	109.4333	0.903	11	109.4333	0.816	11	109.2742	0.635	164	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.3579	0.694	141	109.3579	0.482	141	109.2742	0.635	164	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]In[6]C[6])(CN[6]HH)(H)2	C(N[6]In[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]In[6]C[6])(CN[6]HH)(H)2	C(N[6]In[6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	108.8692	0.131	4	108.8692	0.017	4	109.2742	0.635	164	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	106.7880	0.041	4	106.7880	0.002	4	109.2742	0.635	164	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.0118	0.015	4	109.0118	0.000	4	109.1200	0.023	8	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	H(CN[6]CH)	109.3580	0.007	2	109.3580	0.000	2	109.1200	0.023	8	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.0985	0.046	2	109.0985	0.002	2	109.1200	0.023	8	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.0155	0.015	2	109.0155	0.000	2	109.0467	0.022	12	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.0530	0.162	10	109.0530	0.026	10	109.0467	0.022	12	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.3723	0.287	4	109.3723	0.082	4	109.3723	0.082	4	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	H(CN[6a]CH)	109.1390	0.024	2	109.1390	0.001	2	109.3765	0.068	10	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	H(CN[6a]CH)	109.4359	0.258	8	109.4359	0.067	8	109.3765	0.068	10	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.6207	0.200	3	109.6207	0.040	3	109.5291	0.048	7	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.6620	0.028	2	109.6620	0.001	2	109.5291	0.048	7	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.2590	0.016	2	109.2590	0.000	2	109.5291	0.048	7	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	O-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(OC[6a]Ir)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(OC[6a]Ir)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.8750	0.007	2	109.8750	0.000	2	109.8750	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(OC[6a]Co)(CHHO)(H)2	C(OC[6a]Co)(CHHO)(H)2	H(CCHO)	C(OC[6a]Co)(CHHO)(H)2	C(OC[6a]Co)(CHHO)(H)2	H(CCHO)	110.2855	0.029	2	110.2855	0.001	2	110.0815	0.124	17	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(OC[6a]Ni)(CHHO)(H)2	C(OC[6a]Ni)(CHHO)(H)2	H(CCHO)	C(OC[6a]Ni)(CHHO)(H)2	C(OC[6a]Ni)(CHHO)(H)2	H(CCHO)	110.3722	0.246	4	110.3722	0.061	4	110.0815	0.124	17	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(OC[6a]Ru)(CHHO)(H)2	C(OC[6a]Ru)(CHHO)(H)2	H(CCHO)	C(OC[6a]Ru)(CHHO)(H)2	C(OC[6a]Ru)(CHHO)(H)2	H(CCHO)	109.6300	0.427	4	109.6300	0.182	4	110.0815	0.124	17	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(OLiSi)(CHHO)(H)2	C(OLiSi)(CHHO)(H)2	H(CCHO)	C(OLiSi)(CHHO)(H)2	C(OLiSi)(CHHO)(H)2	H(CCHO)	110.1151	0.042	7	110.1151	0.002	7	110.0815	0.124	17	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHN)(H)2	C(NC[5]Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHN)(H)2	C(NC[5]Fe)(CHHP)(H)2	H(CCHP)	109.6050	0.000	1	109.6050	0.000	1	109.6540	0.234	6	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHN)(H)2	C(NC[6]C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHN)(H)2	C(NC[6]C)(CHHP)(H)2	H(CCHP)	110.0427	0.215	3	110.0427	0.046	3	109.6540	0.234	6	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHN)(H)2	C(NC[6a]H)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHN)(H)2	C(NC[6a]H)(CHHP)(H)2	H(CCHP)	109.0955	0.009	2	109.0955	0.000	2	109.6540	0.234	6	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	109.4673	1.082	30	109.4673	1.171	30	109.4287	1.129	49	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	109.4069	1.179	15	109.4069	1.391	15	109.4287	1.129	49	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PC[6a]H)(CHHP)(H)2	C(PC[6a]H)(CHHP)(H)2	H(CCHP)	C(PC[6a]H)(CHHP)(H)2	C(PC[6a]H)(CHHP)(H)2	H(CCHP)	108.8665	0.069	2	108.8665	0.005	2	109.4287	1.129	49	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PC[6a]P[5])(CHHP)(H)2	C(PC[6a]P[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]P[5])(CHHP)(H)2	C(PC[6a]P[5])(CHHP)(H)2	H(CCHP)	109.5755	0.042	2	109.5755	0.002	2	109.4287	1.129	49	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	P[4]-3:C-4:H-1:H-1:	P[4]-3:C-4:H-1:H-1:	C-4:	C(P[4]N[4]2)(CP[4]HH)(H)2	C(P[4]N[4]2)(CP[4]HH)(H)2	H(CP[4]CH)	C(P[4]N[4]2)(CP[4]HH)(H)2	C(P[4]N[4]2)(CP[4]HH)(H)2	H(CP[4]CH)	107.1255	0.021	2	107.1255	0.000	2	107.1255	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	109.4050	0.055	2	109.4050	0.003	2	109.0119	0.338	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.7242	0.182	6	108.7242	0.033	6	109.0119	0.338	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	108.9505	0.030	2	108.9505	0.001	2	109.0119	0.338	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Rh)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	C(SC[6a]Rh)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	109.5205	0.023	2	109.5205	0.001	2	109.0119	0.338	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Ru)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ru)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	109.0195	0.921	6	109.0195	0.849	6	109.0119	0.338	18	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SAlCu)(CHHS)(H)2	C(SAlCu)(CHHS)(H)2	H(CCHS)	C(SAlCu)(CHHS)(H)2	C(SAlCu)(CHHS)(H)2	H(CCHS)	108.9042	0.235	11	108.9042	0.055	11	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[5]O)(CHHS)(H)2	C(SC[5]O)(CHHS)(H)2	H(CCHS)	C(SC[5]O)(CHHS)(H)2	C(SC[5]O)(CHHS)(H)2	H(CCHS)	109.6933	0.760	4	109.6933	0.577	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6]Ir)(CHHS)(H)2	C(SC[6]Ir)(CHHS)(H)2	H(CCHS)	C(SC[6]Ir)(CHHS)(H)2	C(SC[6]Ir)(CHHS)(H)2	H(CCHS)	109.3660	0.054	4	109.3660	0.003	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Al)(CHHS)(H)2	C(SC[6a]Al)(CHHS)(H)2	H(CCHS)	C(SC[6a]Al)(CHHS)(H)2	C(SC[6a]Al)(CHHS)(H)2	H(CCHS)	109.0840	0.138	8	109.0840	0.019	8	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Cu)(CHHS)(H)2	C(SC[6a]Cu)(CHHS)(H)2	H(CCHS)	C(SC[6a]Cu)(CHHS)(H)2	C(SC[6a]Cu)(CHHS)(H)2	H(CCHS)	109.3580	0.964	4	109.3580	0.929	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Fe)(CHHS)(H)2	C(SC[6a]Fe)(CHHS)(H)2	H(CCHS)	C(SC[6a]Fe)(CHHS)(H)2	C(SC[6a]Fe)(CHHS)(H)2	H(CCHS)	110.9560	1.947	8	110.9560	3.790	8	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Ir)(CHHS)(H)2	C(SC[6a]Ir)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ir)(CHHS)(H)2	C(SC[6a]Ir)(CHHS)(H)2	H(CCHS)	109.4265	0.272	4	109.4265	0.074	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]N)(CHHS)(H)2	C(SC[6a]N)(CHHS)(H)2	H(CCHS)	C(SC[6a]N)(CHHS)(H)2	C(SC[6a]N)(CHHS)(H)2	H(CCHS)	109.3792	0.200	4	109.3792	0.040	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Ni)(CHHS)(H)2	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ni)(CHHS)(H)2	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	108.8231	0.129	16	108.8231	0.017	16	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CHHS)(H)2	C(SC[6a]Pd)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CHHS)(H)2	C(SC[6a]Pd)(CHHS)(H)2	H(CCHS)	109.3542	0.575	6	109.3542	0.331	6	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Rh)(CHHS)(H)2	C(SC[6a]Rh)(CHHS)(H)2	H(CCHS)	C(SC[6a]Rh)(CHHS)(H)2	C(SC[6a]Rh)(CHHS)(H)2	H(CCHS)	109.4237	0.217	4	109.4237	0.047	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Ru)(CHHS)(H)2	C(SC[6a]Ru)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ru)(CHHS)(H)2	C(SC[6a]Ru)(CHHS)(H)2	H(CCHS)	110.8772	1.662	12	110.8772	2.763	12	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]W)(CHHS)(H)2	C(SC[6a]W)(CHHS)(H)2	H(CCHS)	C(SC[6a]W)(CHHS)(H)2	C(SC[6a]W)(CHHS)(H)2	H(CCHS)	109.5018	0.330	4	109.5018	0.109	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Zn)(CHHS)(H)2	C(SC[6a]Zn)(CHHS)(H)2	H(CCHS)	C(SC[6a]Zn)(CHHS)(H)2	C(SC[6a]Zn)(CHHS)(H)2	H(CCHS)	109.0480	0.887	6	109.0480	0.787	6	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SCoFe)(CHHS)(H)2	C(SCoFe)(CHHS)(H)2	H(CCHS)	C(SCoFe)(CHHS)(H)2	C(SCoFe)(CHHS)(H)2	H(CCHS)	109.2195	0.006	4	109.2195	0.000	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SCuGa)(CHHS)(H)2	C(SCuGa)(CHHS)(H)2	H(CCHS)	C(SCuGa)(CHHS)(H)2	C(SCuGa)(CHHS)(H)2	H(CCHS)	108.9336	0.233	16	108.9336	0.054	16	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SCuIn)(CHHS)(H)2	C(SCuIn)(CHHS)(H)2	H(CCHS)	C(SCuIn)(CHHS)(H)2	C(SCuIn)(CHHS)(H)2	H(CCHS)	109.0359	0.202	8	109.0359	0.041	8	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SCuMo)(CHHS)(H)2	C(SCuMo)(CHHS)(H)2	H(CCHS)	C(SCuMo)(CHHS)(H)2	C(SCuMo)(CHHS)(H)2	H(CCHS)	109.5238	0.372	4	109.5238	0.138	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SCuSn)(CHHS)(H)2	C(SCuSn)(CHHS)(H)2	H(CCHS)	C(SCuSn)(CHHS)(H)2	C(SCuSn)(CHHS)(H)2	H(CCHS)	108.6555	0.132	4	108.6555	0.018	4	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SMnMo)(CHHS)(H)2	C(SMnMo)(CHHS)(H)2	H(CCHS)	C(SMnMo)(CHHS)(H)2	C(SMnMo)(CHHS)(H)2	H(CCHS)	109.4545	1.468	12	109.4545	2.156	12	109.3933	1.103	143	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	S-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(SC[6a]Ir)(CSeHH)(H)2	C(SeC[6a]Ir)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ir)(CSeHH)(H)2	C(SeC[6a]Ir)(CHHS)(H)2	H(CCHS)	109.9545	0.008	2	109.9545	0.000	2	109.9545	0.000	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SeC[6]Pd)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CSeHH)(H)2	H(CSeCH)	C(SeC[6]Pd)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CSeHH)(H)2	H(CSeCH)	109.1930	0.025	2	109.1930	0.001	2	108.7192	0.138	13	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Ag)(CN[5]HH)(H)2	C(N[5]C[5]2)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Ag)(CN[5]HH)(H)2	C(N[5]C[5]2)(CSeHH)(H)2	H(CSeCH)	108.1225	0.025	2	108.1225	0.001	2	108.7192	0.138	13	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CSeCH)	108.9485	0.030	2	108.9485	0.001	2	108.7192	0.138	13	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]2)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]2)(CSeHH)(H)2	H(CSeCH)	108.7730	0.060	4	108.7730	0.004	4	108.7192	0.138	13	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CSeCH)	109.0240	0.000	1	109.0240	0.000	1	108.7192	0.138	13	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Rh)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Rh)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CSeCH)	108.3530	0.023	2	108.3530	0.001	2	108.7192	0.138	13	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CSeHH)(H)2	H(CSeCH)	108.5550	0.045	2	108.5550	0.002	2	108.5550	0.002	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Ir)(CHHS)(H)2	C(SC[6a]Ir)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Ir)(CHHS)(H)2	C(SC[6a]Ir)(CSeHH)(H)2	H(CSeCH)	109.1130	0.047	2	109.1130	0.002	2	109.1130	0.002	2	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Ir)(CSeHH)(H)2	C(SeC[6a]Ir)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Ir)(CSeHH)(H)2	C(SeC[6a]Ir)(CSeHH)(H)2	H(CSeCH)	109.1227	0.149	4	109.1227	0.022	4	111.3846	19.612	11	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(SeC[6a]Rh)(CSeHH)(H)2	C(SeC[6a]Rh)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Rh)(CSeHH)(H)2	C(SeC[6a]Rh)(CSeHH)(H)2	H(CSeCH)	109.4213	1.125	3	109.4213	1.266	3	111.3846	19.612	11	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:1:1:	4:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(SeMnMo)(CSeHH)(H)2	C(SeMnMo)(CSeHH)(H)2	H(CSeCH)	C(SeMnMo)(CSeHH)(H)2	C(SeMnMo)(CSeHH)(H)2	H(CSeCH)	115.1190	5.936	4	115.1190	35.237	4	111.3846	19.612	11	108.9423	1.117	4833	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:C-2:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CN)(H)	H(CCCH)	109.7080	0.007	2	109.7080	0.000	2	109.7080	0.000	2	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CC[6a]O)(CCHO)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]O)(CCHO)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	H(CCCH)	109.2015	0.078	6	109.2015	0.006	6	109.2015	0.006	6	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:S-2:H-1:	C-4:	C(CC[6a]O)(CCHS)(H)2	C(CC[6a]O)(CCHH)(SC)(H)	H(CCCH)	C(CC[6a]O)(CCHS)(H)2	C(CC[6a]O)(CCHH)(SC)(H)	H(CCCH)	109.2150	0.016	2	109.2150	0.000	2	109.2150	0.000	2	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HO)(H)2	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HO)(H)2	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	110.0775	1.942	2	110.0775	3.773	2	110.0775	3.773	2	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	H(CC[5]CH)	109.2850	5.054	2	109.2850	25.547	2	109.2850	25.547	2	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	H(CC[5]CH)	109.1593	0.471	4	109.1593	0.222	4	109.2202	0.185	5	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	109.4640	0.000	1	109.4640	0.000	1	109.2202	0.185	5	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	H(CC[5a]CH)	108.6043	0.561	4	108.6043	0.315	4	108.6043	0.315	4	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	H(CC[5a]CH)	108.7840	0.000	1	108.7840	0.000	1	108.9167	0.013	3	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	H(CC[5a]CH)	108.9830	0.014	2	108.9830	0.000	2	108.9167	0.013	3	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(C[6]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	H(CC[6]CH)	108.9555	0.030	2	108.9555	0.001	2	108.9555	0.001	2	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	H(CC[6]CH)	108.8558	0.135	4	108.8558	0.018	4	108.8558	0.018	4	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	108.8353	0.583	4	108.8353	0.340	4	108.8353	0.340	4	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	H(CC[6a]CH)	108.1118	1.209	4	108.1118	1.462	4	108.1118	1.462	4	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	H(CC[6a]CH)	108.8216	0.562	5	108.8216	0.316	5	108.8079	0.218	9	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	H(CC[6a]CH)	108.7908	0.401	4	108.7908	0.161	4	108.8079	0.218	9	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]FO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(F)	H(CC[6a]CH)	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	109.2510	0.000	1	109.2510	0.000	1	108.5767	0.236	28	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	108.8535	0.009	2	108.8535	0.000	2	108.5767	0.236	28	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	H(CC[6a]CH)	108.8585	0.069	4	108.8585	0.005	4	108.5767	0.236	28	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	H(CC[6a]CH)	108.4555	0.379	4	108.4555	0.144	4	108.5767	0.236	28	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	108.4365	0.624	13	108.4365	0.389	13	108.5767	0.236	28	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	108.5665	0.006	2	108.5665	0.000	2	108.5767	0.236	28	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	108.5630	0.028	2	108.5630	0.001	2	108.5767	0.236	28	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	H(CC[6a]CH)	108.8785	0.559	4	108.8785	0.313	4	108.8785	0.313	4	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(CHHN)(OC)(H)	H(CCHN)	C(NC[6a]C)(CCHO)(H)2	C(CC[6a]O)(CHHN)(OC)(H)	H(CCHN)	108.8580	0.014	2	108.8580	0.000	2	108.8580	0.000	2	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(NC[6a]C[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	C(NC[6a]C[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	109.2125	0.023	2	109.2125	0.001	2	109.2125	0.001	2	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	H(CN[5]CH)	108.8820	1.347	8	108.8820	1.814	8	109.0539	1.220	12	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	H(CN[5]CH)	109.3978	0.067	4	109.3978	0.005	4	109.0539	1.220	12	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	110.1430	1.467	2	110.1430	2.151	2	109.4862	0.313	12	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	109.1360	0.011	2	109.1360	0.000	2	109.4862	0.313	12	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	109.5075	0.005	2	109.5075	0.000	2	109.4862	0.313	12	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	109.3770	0.153	6	109.3770	0.023	6	109.4862	0.313	12	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	109.0050	0.487	13	109.0050	0.237	13	109.3129	0.333	53	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	109.1327	0.093	6	109.1327	0.009	6	109.3129	0.333	53	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	110.4470	0.865	2	110.4470	0.749	2	109.3129	0.333	53	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	109.4357	0.595	18	109.4357	0.354	18	109.3129	0.333	53	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	109.1130	0.017	2	109.1130	0.000	2	109.3129	0.333	53	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	H(CN[5a]CH)	109.1953	0.142	6	109.1953	0.020	6	109.3129	0.333	53	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	109.5980	0.728	6	109.5980	0.530	6	109.3129	0.333	53	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	H(CN[6]CH)	109.3595	0.311	4	109.3595	0.097	4	109.3608	0.058	6	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	H(CN[6]CH)	109.3635	0.032	2	109.3635	0.001	2	109.3608	0.058	6	109.0679	0.606	169	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	H(CC[6a]CH)	108.6207	0.061	3	108.6207	0.004	3	108.6207	0.004	3	108.1868	0.643	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	H(CC[6a]CH)	107.3110	1.033	4	107.3110	1.067	4	107.7688	1.143	6	108.1868	0.643	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	H(CC[6a]CH)	108.6845	0.032	2	108.6845	0.001	2	107.7688	1.143	6	108.1868	0.643	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:C-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	H(CC[6a]CH)	108.4882	0.058	4	108.4882	0.003	4	108.4882	0.003	4	108.1868	0.643	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	B[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	H(CB[5]CH)	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	H(CB[5]CH)	108.1863	0.393	4	108.1863	0.155	4	108.6392	0.246	9	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	B[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	H(CB[5]CH)	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	H(CB[5]CH)	108.9817	0.111	3	108.9817	0.012	3	108.6392	0.246	9	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	B[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	H(CB[5]CH)	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	H(CB[5]CH)	109.0315	0.012	2	109.0315	0.000	2	108.6392	0.246	9	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CCO)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CCO)(H)	H(CCCH)	109.1810	0.008	2	109.1810	0.000	2	109.1810	0.000	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCC)(H)	H(CCCH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCC)(H)	H(CCCH)	108.7760	0.069	2	108.7760	0.005	2	108.7402	0.034	6	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	108.7223	0.231	4	108.7223	0.053	4	108.7402	0.034	6	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[5]C[5]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	H(CC[5]CH)	108.5425	0.008	2	108.5425	0.000	2	108.5425	0.000	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	108.8299	1.141	34	108.8299	1.303	34	108.8299	1.303	34	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[5a]CH)(H)2	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5a]CH)(H)2	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	108.5743	0.072	4	108.5743	0.005	4	108.5743	0.005	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	H(CC[5a]CH)	109.0540	0.023	2	109.0540	0.001	2	109.0540	0.001	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	108.9195	0.021	2	108.9195	0.000	2	108.9195	0.000	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	H(CC[5a]CH)	109.2890	0.402	3	109.2890	0.161	3	109.2890	0.161	3	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	108.9800	0.006	2	108.9800	0.000	2	108.7894	0.436	8	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	109.6675	0.009	2	109.6675	0.000	2	108.7894	0.436	8	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	108.2550	0.312	4	108.2550	0.097	4	108.7894	0.436	8	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	H(CC[5a]CH)	109.0697	0.395	4	109.0697	0.156	4	109.0697	0.156	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	H(CC[6]CH)	108.4200	0.291	4	108.4200	0.085	4	108.4200	0.085	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	H(CC[6]CH)	108.7235	0.260	4	108.7235	0.067	4	108.7235	0.067	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	H(CC[6]CH)	108.7752	0.064	4	108.7752	0.004	4	108.7752	0.004	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:F-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	H(CC[6a]CF)	109.2765	0.084	2	109.2765	0.007	2	109.2765	0.007	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	109.2004	0.125	5	109.2004	0.016	5	109.1857	0.011	7	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	H(CC[6a]CH)	109.1490	0.014	2	109.1490	0.000	2	109.1857	0.011	7	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	109.0950	0.013	2	109.0950	0.000	2	108.8145	0.129	49	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	109.3467	0.218	3	109.3467	0.047	3	108.8145	0.129	49	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	108.7655	0.341	44	108.7655	0.116	44	108.8145	0.129	49	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	109.5460	0.020	2	109.5460	0.000	2	109.5460	0.000	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(F)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(F)	H(CC[6a]CH)	108.6760	0.019	4	108.6760	0.000	4	108.6760	0.000	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	H(CC[6a]CH)	109.1185	0.019	2	109.1185	0.000	2	108.7949	0.119	18	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	H(CC[6a]CH)	108.9505	0.059	2	108.9505	0.003	2	108.7949	0.119	18	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	H(CC[6a]CH)	108.6055	0.018	2	108.6055	0.000	2	108.7949	0.119	18	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	108.7466	0.388	12	108.7466	0.150	12	108.7949	0.119	18	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	H(CC[6a]CH)	109.0265	0.265	4	109.0265	0.070	4	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	109.0284	0.729	8	109.0284	0.531	8	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	H(CC[6a]CH)	107.2210	0.010	2	107.2210	0.000	2	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]Fe)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]Fe)(H)	H(CC[6a]CH)	108.4120	0.018	2	108.4120	0.000	2	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	108.6975	0.021	2	108.6975	0.000	2	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NPdC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NPdC)(H)	H(CC[6a]CH)	108.5700	0.013	2	108.5700	0.000	2	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	108.9165	0.013	2	108.9165	0.000	2	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	H(CC[6a]CH)	109.0580	0.007	2	109.0580	0.000	2	108.7535	0.438	24	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	109.2955	0.033	2	109.2955	0.001	2	108.9565	0.137	39	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	108.9382	0.371	37	108.9382	0.137	37	108.9565	0.137	39	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	H(CC[6a]CH)	106.6525	2.119	2	106.6525	4.491	2	108.4556	1.464	12	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	109.2092	0.531	4	109.2092	0.282	4	108.4556	1.464	12	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	H(CC[6a]CH)	107.9185	0.818	2	107.9185	0.669	2	108.4556	1.464	12	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	108.7650	0.023	2	108.7650	0.001	2	108.4556	1.464	12	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	108.9790	0.049	2	108.9790	0.002	2	108.4556	1.464	12	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	108.5756	1.442	8	108.5756	2.079	8	108.6581	1.143	14	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	108.8872	0.062	4	108.8872	0.004	4	108.6581	1.143	14	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	108.5300	0.011	2	108.5300	0.000	2	108.6581	1.143	14	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	108.8487	0.081	4	108.8487	0.007	4	108.8487	0.007	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(NC[6a]C)(CCHN)(H)2	C(NC[6a]H)(CHHN)(CCC)(H)	H(CCHN)	C(NC[6a]C)(CCHN)(H)2	C(NC[6a]H)(CHHN)(CCC)(H)	H(CCHN)	109.0800	0.010	2	109.0800	0.000	2	109.0800	0.000	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	H(CN[5]CH)	109.2185	0.083	2	109.2185	0.007	2	109.1125	0.023	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	H(CN[5]CH)	109.0065	0.132	2	109.0065	0.017	2	109.1125	0.023	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CN[5]CH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CN[5]CH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	H(CN[5]CH)	109.6681	0.179	9	109.6681	0.032	9	109.6681	0.032	9	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCC)(H)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCC)(H)	H(CN[5a]CH)	109.2150	0.093	2	109.2150	0.009	2	109.2150	0.009	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	H(CN[5a]CH)	109.2430	0.048	2	109.2430	0.002	2	109.2430	0.002	2	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	H(CN[5a]CH)	109.1210	0.041	4	109.1210	0.002	4	109.1210	0.002	4	108.8587	0.421	286	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:2:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(COO)(OH)	H(CC[5a]CH)	108.8315	0.008	2	108.8315	0.000	2	108.8315	0.000	2	109.2343	2.386	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6]C[6]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	H(CC[6]CH)	C(C[6]C[6]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	H(CC[6]CH)	109.1278	0.158	5	109.1278	0.025	5	110.0327	4.035	7	109.2343	2.386	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	H(CC[6]CH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(OH)	H(CC[6]CH)	112.2950	3.127	2	112.2950	9.777	2	110.0327	4.035	7	109.2343	2.386	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	H(CC[6a]CH)	108.2440	0.218	4	108.2440	0.048	4	108.2440	0.048	4	109.2343	2.386	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:2:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	H(CN[6a]CH)	108.8235	0.013	2	108.8235	0.000	2	108.8235	0.000	2	109.2343	2.386	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:3:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	C(C[6a]C[6a]2)(CC[6a]ClH)(COO)2	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]CC)(Cl)(H)	C(C[6a]C[6a]2)(CC[6a]ClH)(COO)2	H(CC[6a]ClC)	106.9340	0.000	1	106.9340	0.000	1	106.9340	0.000	1	108.1098	1.286	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6]2)(CC[6a]HH)(COO)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6]2)(CC[6a]HH)(COO)2	H(CC[6a]CH)	107.8970	1.262	4	107.8970	1.593	4	107.8970	1.593	4	108.1098	1.286	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(COO)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(COO)2	H(CC[6a]CH)	108.7130	0.018	3	108.7130	0.000	3	108.7032	0.000	5	108.1098	1.286	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(CCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(CCH)	H(CC[6a]CH)	108.6885	0.019	2	108.6885	0.000	2	108.7032	0.000	5	108.1098	1.286	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5]O)(NCH)	H(CC[6a]CH)	108.9285	0.008	2	108.9285	0.000	2	108.9285	0.000	2	108.1098	1.286	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:3:	4:	N-3:C-4:H-1:H-1:	N-3:C-4:C-3:C-3:	C-4:	C(NC[6a]C)(CCCN)(H)2	C(NC[6a]C)(CHHN)(CCO)(COO)	H(CCHN)	C(NC[6a]C)(CCCN)(H)2	C(NC[6a]C)(CHHN)(CCO)(COO)	H(CCHN)	107.4655	1.652	4	107.4655	2.730	4	107.4655	2.730	4	108.1098	1.286	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:4:	4:	B[5]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:C-4:	C-4:	C(B[5]O[5]2)(CC[5a]CC)(H)2	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	H(CB[5]CH)	C(B[5]O[5]2)(CC[5a]CC)(H)2	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	H(CB[5]CH)	107.7505	0.035	2	107.7505	0.001	2	107.7505	0.001	2	108.3360	0.287	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5a]O)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5a]O)(CCHH)	H(CC[6a]CH)	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	108.3360	0.287	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	H(CC[6a]CH)	108.7460	0.042	2	108.7460	0.002	2	108.7460	0.002	2	108.3360	0.287	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	B[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	H(CB[5]CH)	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	H(CB[5]CH)	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C-3:C-4:Cl-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCHN)(Cl)(H)	C(NC[6a]H)(CClCH)(CFFS)(H)	H(CClCC)	C(CC[6a]O)(CCHN)(Cl)(H)	C(NC[6a]H)(CClCH)(CFFS)(H)	H(CClCC)	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	109.3130	0.025	2	109.3130	0.001	2	109.3130	0.001	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	H(CC[5]CH)	109.1837	0.195	6	109.1837	0.038	6	109.1993	0.028	8	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	H(CC[5]CH)	109.2460	0.018	2	109.2460	0.000	2	109.1993	0.028	8	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:O-4:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HO)(H)2	C(C[5]N[5]2)(CC[5]HH)(OMn3)(H)	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]HO)(H)2	C(C[5]N[5]2)(CC[5]HH)(OMn3)(H)	H(CC[5]CH)	108.7488	0.283	22	108.7488	0.080	22	108.7488	0.080	22	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	H(CC[5a]CH)	109.0835	0.055	4	109.0835	0.003	4	109.0835	0.003	4	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	H(CC[6a]BrC)	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	H(CC[6a]ClC)	108.2635	0.015	2	108.2635	0.000	2	108.2635	0.000	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:F-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	H(CC[6a]CF)	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	B[5]-3:B-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]BH)(H)2	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]BH)(H)2	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	H(CC[6a]CH)	108.7105	0.015	2	108.7105	0.000	2	108.7105	0.000	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	H(CC[6a]CH)	108.9280	0.013	2	108.9280	0.000	2	108.9280	0.000	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	H(CC[6a]CH)	109.6085	0.082	4	109.6085	0.007	4	109.6085	0.007	4	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	H(CC[6a]CH)	109.2690	0.028	2	109.2690	0.001	2	109.2690	0.001	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:P-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	H(CC[6a]CH)	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:B-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	H(CC[6a]CH)	108.5785	0.071	2	108.5785	0.005	2	108.5785	0.005	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	H(CC[6a]CH)	108.2835	0.174	4	108.2835	0.030	4	108.2835	0.030	4	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	108.6310	0.129	4	108.6310	0.017	4	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	108.4127	0.278	3	108.4127	0.078	3	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	H(CC[6a]CH)	108.6632	0.635	6	108.6632	0.403	6	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CC[6a]CH)	108.8906	0.191	17	108.8906	0.037	17	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	108.2202	0.326	27	108.2202	0.106	27	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	H(CC[6a]CH)	108.2460	0.004	2	108.2460	0.000	2	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	H(CC[6a]CH)	108.0433	0.084	4	108.0433	0.007	4	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	H(CC[6a]CH)	107.6815	0.018	2	107.6815	0.000	2	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CC[6a]CH)	108.6993	0.175	3	108.6993	0.030	3	108.4552	0.193	68	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	H(CC[6a]CH)	109.1910	0.270	8	109.1910	0.073	8	109.1910	0.073	8	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	H(CC[6a]CH)	108.6145	0.008	2	108.6145	0.000	2	108.6145	0.000	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	H(CC[6a]CH)	108.7370	0.010	2	108.7370	0.000	2	108.7370	0.000	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	H(CC[6a]CH)	108.9327	0.328	4	108.9327	0.108	4	109.0912	0.108	11	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	H(CC[6a]CH)	109.2694	0.047	5	109.2694	0.002	5	109.0912	0.108	11	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	H(CC[6a]CH)	108.9625	0.675	2	108.9625	0.456	2	109.0912	0.108	11	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	H(CC[6a]CH)	108.3500	0.018	2	108.3500	0.000	2	108.3500	0.000	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	H(CC[6a]CH)	109.2632	0.051	4	109.2632	0.003	4	109.0016	0.126	19	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	H(CC[6a]CH)	108.5710	0.028	2	108.5710	0.001	2	109.0016	0.126	19	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	H(CC[6a]CH)	108.8019	0.237	9	108.8019	0.056	9	109.0016	0.126	19	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	H(CC[6a]CH)	109.4048	0.230	4	109.4048	0.053	4	109.0016	0.126	19	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	H(CC[6a]CH)	107.6930	2.188	2	107.6930	4.786	2	107.6930	4.786	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	H(CC[6a]CO)	108.5770	0.984	6	108.5770	0.968	6	108.5770	0.968	6	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	H(CN[5]CH)	109.1770	0.219	4	109.1770	0.048	4	109.1770	0.048	4	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	H(CN[5a]CH)	108.9470	0.091	2	108.9470	0.008	2	108.9470	0.008	2	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	H(CN[6]CH)	108.8445	0.023	2	108.8445	0.001	2	108.7278	0.020	4	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	H(CN[6]CH)	108.6110	0.061	2	108.6110	0.004	2	108.7278	0.020	4	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:1:	4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	H(CN[6a]CH)	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	108.7436	0.283	190	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	H(CC[6]CH)	108.7816	0.234	8	108.7816	0.055	8	108.7816	0.055	8	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	H(CC[6a]CH)	108.8005	0.016	4	108.8005	0.000	4	108.8005	0.000	4	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	H(CC[6a]CH)	108.6040	0.034	2	108.6040	0.001	2	108.6112	0.047	6	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	H(CC[6a]CH)	108.6148	0.278	4	108.6148	0.078	4	108.6112	0.047	6	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:N-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	H(CC[6a]CH)	108.6215	0.028	2	108.6215	0.001	2	108.6215	0.001	2	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	H(CC[6a]CH)	107.4360	0.594	2	107.4360	0.353	2	106.8863	2.519	6	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	H(CC[6a]CH)	106.6115	1.944	4	106.6115	3.779	4	106.8863	2.519	6	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:P-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	H(CC[6a]CH)	108.6410	0.068	2	108.6410	0.005	2	108.6410	0.005	2	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	H(CN[5]CH)	109.3370	0.018	3	109.3370	0.000	3	109.4248	0.161	17	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	H(CN[5]CH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	H(CN[5]CH)	109.6258	0.232	4	109.6258	0.054	4	109.4248	0.161	17	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	H(CN[5]CH)	109.1701	0.280	8	109.1701	0.078	8	109.4248	0.161	17	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	H(CN[5]CH)	110.1730	0.198	2	110.1730	0.039	2	109.4248	0.161	17	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	H(CN[5a]CH)	109.1400	0.007	2	109.1400	0.000	2	109.1400	0.000	2	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	H(CN[5a]CH)	109.3345	0.036	2	109.3345	0.001	2	109.2456	3.212	70	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	H(CN[5a]CH)	110.8045	2.235	2	110.8045	4.996	2	109.2456	3.212	70	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	H(CN[5a]CH)	108.6870	0.085	4	108.6870	0.007	4	109.2456	3.212	70	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	H(CN[5a]CH)	108.5795	0.036	2	108.5795	0.001	2	109.2456	3.212	70	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	H(CN[5a]CH)	110.6260	4.002	2	110.6260	16.018	2	109.2456	3.212	70	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	H(CN[5a]CH)	109.2027	1.824	58	109.2027	3.328	58	109.2456	3.212	70	109.0484	2.356	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	H(CC[5a]CH)	107.5800	0.057	2	107.5800	0.003	2	107.5800	0.003	2	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	H(CC[6a]CH)	108.5100	0.047	2	108.5100	0.002	2	108.5100	0.002	2	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	H(CC[6a]CH)	108.0750	0.000	1	108.0750	0.000	1	108.2950	0.037	3	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	H(CC[6a]CH)	108.4050	0.040	2	108.4050	0.002	2	108.2950	0.037	3	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	H(CC[6a]CH)	108.6650	0.077	8	108.6650	0.006	8	108.6650	0.006	8	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CN[5]CC)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]CC)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	H(CC[6a]CH)	108.7475	0.021	2	108.7475	0.000	2	108.7475	0.000	2	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-3:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OCo2)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OCo2)	H(CN[5]CH)	109.2027	0.206	4	109.2027	0.042	4	109.1473	0.017	11	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:3:	4:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-3:	C-4:	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(ONi2)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(ONi2)	H(CN[5]CH)	109.1156	0.066	7	109.1156	0.004	7	109.1473	0.017	11	108.7321	0.206	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:4:	4:	C-3:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CC[6]N)(CCCN)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	C(CC[6]N)(CCCN)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	108.6800	0.030	2	108.6800	0.001	2	108.6800	0.001	2	108.6251	0.102	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	H(CC[6]CH)	108.6079	0.425	8	108.6079	0.180	8	108.6079	0.180	8	108.6251	0.102	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	H(CC[6a]CH)	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.6251	0.102	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	H(CC[6a]CH)	108.9450	0.013	2	108.9450	0.000	2	108.9450	0.000	2	108.6251	0.102	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	H(CC[6a]CH)	108.2800	0.021	2	108.2800	0.000	2	108.3817	0.015	4	108.6251	0.102	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	H(CC[6a]CH)	108.4835	0.042	2	108.4835	0.002	2	108.3817	0.015	4	108.6251	0.102	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	3:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	H(CN[5a]CH)	108.8305	0.018	2	108.8305	0.000	2	108.8305	0.000	2	108.6251	0.102	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	B[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6]C[6,6a]2)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	C(B[6]C[6,6a]2)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	109.8245	0.005	2	109.8245	0.000	2	109.8245	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CC[5a]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	109.5400	0.000	1	109.5400	0.000	1	109.3220	0.402	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CC[6a]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	109.1220	0.000	1	109.1220	0.000	1	109.3220	0.402	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CN[5]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	108.5650	0.000	1	108.5650	0.000	1	109.3220	0.402	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CN[6]O)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	110.0610	0.000	1	110.0610	0.000	1	109.3220	0.402	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:F-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CN[5]O)(CF3)(F)(H)	C(CCFH)(F)3	H(CCCF)	C(CN[5]O)(CF3)(F)(H)	C(CCFH)(F)3	H(CCCF)	110.7635	0.162	2	110.7635	0.026	2	110.7635	0.026	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]C)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6a]C)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.8535	0.013	2	108.8535	0.000	2	108.8170	0.006	9	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]O)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6a]O)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.7847	0.070	6	108.7847	0.005	6	108.8170	0.006	9	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CN[5]O)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CN[5]O)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.9380	0.000	1	108.9380	0.000	1	108.8170	0.006	9	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CC[6a]O)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	C(CC[6a]O)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAgC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CAgC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3120	0.000	1	109.3120	0.000	1	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAlC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CAlC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1051	0.250	14	109.1051	0.063	14	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7495	0.046	2	108.7495	0.002	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5,6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5615	0.021	2	108.5615	0.000	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4469	1.102	15	109.4469	1.213	15	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9997	0.269	10	108.9997	0.072	10	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2715	0.042	6	109.2715	0.002	6	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6414	1.612	7	108.6414	2.599	7	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]Pd)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]Pd)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5465	1.392	2	108.5465	1.938	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]S)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]S)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3040	0.018	2	109.3040	0.000	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]2)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]2)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0489	0.131	7	109.0489	0.017	7	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8803	0.207	3	108.8803	0.043	3	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]C[5])(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]C[5])(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4656	0.582	5	109.4656	0.339	5	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4882	0.270	6	109.4882	0.073	6	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9091	0.251	7	108.9091	0.063	7	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0865	0.023	2	109.0865	0.001	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9665	0.152	4	108.9665	0.023	4	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1026	0.214	22	109.1026	0.046	22	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.2926	0.334	7	108.2926	0.112	7	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9499	0.421	123	108.9499	0.177	123	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[5])(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C[5])(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1540	0.025	2	109.1540	0.001	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[6])(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C[6])(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9950	0.129	3	108.9950	0.017	3	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8348	0.077	5	108.8348	0.006	5	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]Ir)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]Ir)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	107.8475	0.005	2	107.8475	0.000	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2010	0.910	62	109.2010	0.828	62	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8447	0.911	36	108.8447	0.830	36	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CClC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.3828	3.225	4	108.3828	10.399	4	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCoO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCoO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.2170	0.014	2	108.2170	0.000	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCuC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCuC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.1212	2.036	6	108.1212	4.145	6	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFeC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CFeC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6342	0.967	10	108.6342	0.935	10	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CGeC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CGeC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9070	0.061	2	108.9070	0.004	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CIrC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CIrC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6630	0.042	2	108.6630	0.002	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMgC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CMgC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2892	0.087	4	109.2892	0.008	4	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMnO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CMnO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2445	0.100	2	109.2445	0.010	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMoC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CMoC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3650	0.068	2	109.3650	0.005	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1317	0.212	12	109.1317	0.045	12	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5a]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	111.7500	0.106	2	111.7500	0.011	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5a]N)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4696	0.181	15	109.4696	0.033	15	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5a]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1545	0.022	2	109.1545	0.000	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6,6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[6,6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1585	0.155	2	109.1585	0.024	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[6]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0539	0.192	11	109.0539	0.037	11	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNiC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CNiC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6476	0.402	5	108.6476	0.162	5	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNiN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CNiN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	107.5925	0.037	2	107.5925	0.001	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CPdC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CPdC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2241	0.092	7	109.2241	0.008	7	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CPtO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CPtO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	107.9945	0.035	2	107.9945	0.001	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRe2)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRe2)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7710	0.020	2	108.7710	0.000	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CReO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CReO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2045	0.199	4	109.2045	0.040	4	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRhC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRhC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4260	0.000	1	108.4260	0.000	1	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRhO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRhO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2315	0.060	2	109.2315	0.004	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRuC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRuC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5960	0.593	8	108.5960	0.352	8	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSiC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSiC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2305	0.009	2	109.2305	0.000	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSnC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSnC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7788	0.420	12	108.7788	0.176	12	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTaC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CTaC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0840	0.000	1	109.0840	0.000	1	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTiN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CTiN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5480	0.027	2	108.5480	0.001	2	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZnC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CZnC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0190	0.447	6	109.0190	0.199	6	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZrC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CZrC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5662	0.211	4	108.5662	0.044	4	108.9939	0.541	495	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CC[3]O)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CC[3]O)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	108.9860	0.065	2	108.9860	0.004	2	108.9860	0.004	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CH3)(H)(I)	C(CCHI)(H)3	H(CCCI)	C(CC[6]O)(CH3)(H)(I)	C(CCHI)(H)3	H(CCCI)	109.6330	0.052	2	109.6330	0.003	2	109.6330	0.003	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[3]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,5]C[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3,5]C[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	108.9880	0.114	4	108.9880	0.013	4	108.9666	0.039	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[3]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,6]C[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3,6]C[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	108.6145	0.015	2	108.6145	0.000	2	108.9666	0.039	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[3]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3]2)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.0040	0.024	2	109.0040	0.001	2	108.9666	0.039	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[3]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]Si[3]C[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]Si[3]C[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.1480	0.021	3	109.1480	0.000	3	108.9666	0.039	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[3a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3a]Si[3a]C[3a])(CH3)(H)2	C(CC[3a]HH)(H)3	H(CC[3a]CH)	C(C[3a]Si[3a]C[3a])(CH3)(H)2	C(CC[3a]HH)(H)3	H(CC[3a]CH)	108.5470	0.487	4	108.5470	0.237	4	108.5470	0.237	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4])(CClHH)(H)2	C(CC[4]HH)(Cl)(H)2	H(CC[4]CH)	C(C[4]C[4,6]C[4])(CClHH)(H)2	C(CC[4]HH)(Cl)(H)2	H(CC[4]CH)	109.0762	0.171	4	109.0762	0.029	4	109.0762	0.029	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4]2)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	109.3215	0.008	2	109.3215	0.000	2	108.7984	0.138	17	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]Si[4,4]C[4])(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]Si[4,4]C[4])(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	108.7286	0.337	15	108.7286	0.113	15	108.7984	0.138	17	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.7983	0.595	3	108.7983	0.354	3	108.7983	0.354	3	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CClHH)(H)2	C(CC[5]HH)(Cl)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CClHH)(H)2	C(CC[5]HH)(Cl)(H)2	H(CC[5]CH)	108.9675	0.021	2	108.9675	0.000	2	108.9675	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]B[5]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]B[5]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1525	0.022	2	109.1525	0.000	2	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5,6]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1980	0.031	2	109.1980	0.001	2	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5,6])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]C[5,6])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6320	0.000	1	108.6320	0.000	1	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9073	0.077	4	108.9073	0.006	4	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6388	0.122	4	108.6388	0.015	4	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1745	0.015	2	109.1745	0.000	2	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.3795	0.021	2	109.3795	0.000	2	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.2320	1.096	2	108.2320	1.201	2	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6230	0.011	2	108.6230	0.000	2	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.0252	0.120	4	109.0252	0.015	4	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5937	2.624	382	108.5937	6.883	382	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8954	0.244	61	108.8954	0.060	61	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	106.6623	1.862	3	106.6623	3.467	3	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]P[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1909	1.075	21	109.1909	1.156	21	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]S[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]S[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.0050	0.035	4	109.0050	0.001	4	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5,5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5,5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.0482	0.149	4	109.0482	0.022	4	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.2849	2.140	73	109.2849	4.580	73	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5]O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9949	1.004	27	108.9949	1.009	27	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]S[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5]S[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.7570	0.037	2	108.7570	0.001	2	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]Si[5]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]Si[5]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8033	0.444	3	108.8033	0.197	3	108.7564	5.079	605	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(H)2(O)	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(H)2(O)	H(CC[5]CH)	109.3260	0.007	2	109.3260	0.000	2	109.3260	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]N[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	108.8647	0.141	7	108.8647	0.020	7	108.8857	0.018	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]O[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	109.0920	0.027	2	109.0920	0.001	2	108.8857	0.018	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]S[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	108.9260	0.004	2	108.9260	0.000	2	108.8857	0.018	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]N[5a,6a]C[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	108.8235	0.037	2	108.8235	0.001	2	108.8857	0.018	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]N[5a]O[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	C(C[5a]N[5a]O[5a])(CF3)(H)2	C(CC[5a]HH)(F)3	H(CC[5a]CH)	108.7750	0.007	2	108.7750	0.000	2	108.8857	0.018	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	109.0760	0.000	1	109.0760	0.000	1	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.8143	0.184	4	108.8143	0.034	4	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.7702	3.175	95	108.7702	10.080	95	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	109.0965	0.005	2	109.0965	0.000	2	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.7960	0.054	2	108.7960	0.003	2	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.8100	0.559	20	108.8100	0.312	20	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.3235	1.231	2	108.3235	1.516	2	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a]2)(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.9962	0.422	2355	108.9962	0.178	2355	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.9913	0.871	51	108.9913	0.759	51	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.7067	0.299	6	108.7067	0.089	6	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.4345	2.534	42	108.4345	6.422	42	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	110.7740	1.078	2	110.7740	1.161	2	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.9838	0.254	4	108.9838	0.065	4	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.6640	0.314	2	108.6640	0.099	2	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	108.8885	0.008	2	108.8885	0.000	2	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]N[5a]2)(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	109.0196	0.510	50	109.0196	0.260	50	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CH3)(H)2	C(CC[5a]HH)(H)3	H(CC[5a]CH)	109.2848	1.161	14	109.2848	1.348	14	108.9792	0.654	2654	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(C[5a]C[5a]2)(CHHI)(H)2	C(CC[5a]HH)(H)2(I)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CHHI)(H)2	C(CC[5a]HH)(H)2(I)	H(CC[5a]CH)	110.4975	0.005	2	110.4975	0.000	2	110.4975	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.5838	0.517	26	108.5838	0.267	26	108.7841	0.836	28	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	111.3880	1.136	2	111.3880	1.290	2	108.7841	0.836	28	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CBrHH)(H)2	C(CC[6]HH)(Br)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CBrHH)(H)2	C(CC[6]HH)(Br)(H)2	H(CC[6]CH)	109.6790	0.016	2	109.6790	0.000	2	109.6790	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6]C[6]2)(CCl3)(H)2	C(CC[6]HH)(Cl)3	H(CC[6]CH)	C(C[6]C[6]2)(CCl3)(H)2	C(CC[6]HH)(Cl)3	H(CC[6]CH)	108.3035	0.032	2	108.3035	0.001	2	108.3035	0.001	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	H(CC[6]CH)	108.9796	0.618	5	108.9796	0.382	5	108.9796	0.382	5	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6,6a]C[6])(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	108.8443	0.264	4	108.8443	0.070	4	108.8443	0.070	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7234	0.292	5	108.7234	0.085	5	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.9257	0.196	7	108.9257	0.038	7	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0867	0.110	6	109.0867	0.012	6	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[4,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.1105	0.131	15	109.1105	0.017	15	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.1985	0.050	2	109.1985	0.003	2	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.8582	0.183	24	108.8582	0.033	24	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.1940	0.000	1	109.1940	0.000	1	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.2995	0.005	2	109.2995	0.000	2	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.2390	0.240	7	109.2390	0.058	7	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.1885	0.059	4	109.1885	0.004	4	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0596	1.042	161	109.0596	1.086	161	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]N[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.1108	0.781	130	109.1108	0.610	130	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.4467	0.464	23	108.4467	0.216	23	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]S[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]S[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7695	0.005	2	108.7695	0.000	2	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]Ge[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]Ge[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.5217	0.052	4	109.5217	0.003	4	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]Ge[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]Ge[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.3967	0.291	4	109.3967	0.085	4	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.3085	0.008	2	109.3085	0.000	2	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[6,6a]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]N[6,6a]O[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0847	0.333	3	109.0847	0.111	3	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]N[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.8723	0.207	7	108.8723	0.043	7	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]Si[6]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.3822	0.305	12	109.3822	0.093	12	109.0464	0.655	421	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(C[6]C[6]2)(CHHI)(H)2	C(CC[6]HH)(H)2(I)	H(CC[6]CH)	C(C[6]C[6]2)(CHHI)(H)2	C(CC[6]HH)(H)2(I)	H(CC[6]CH)	108.0210	0.041	2	108.0210	0.002	2	108.0210	0.002	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6]-3:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(H)(O)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(H)(O)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(Br)(H)	C(CC[6a]BrH)(H)3	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CH3)(Br)(H)	C(CC[6a]BrH)(H)3	H(CC[6a]BrC)	108.2915	0.026	2	108.2915	0.001	2	108.2915	0.001	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(C)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(C)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.5300	2.564	2	108.5300	6.574	2	108.5300	6.574	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	C(CC[6a]ClH)(H)3	H(CC[6a]ClC)	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	C(CC[6a]ClH)(H)3	H(CC[6a]ClC)	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	C(CC[6a]HH)(Cl)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	C(CC[6a]HH)(Cl)(H)2	H(CC[6a]CH)	108.5880	0.007	2	108.5880	0.000	2	109.3648	0.336	17	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	C(CC[6a]HH)(Cl)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	C(CC[6a]HH)(Cl)(H)2	H(CC[6a]CH)	109.6336	0.255	8	109.6336	0.065	8	109.3648	0.336	17	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClHH)(H)2	C(CC[6a]HH)(Cl)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClHH)(H)2	C(CC[6a]HH)(Cl)(H)2	H(CC[6a]CH)	109.2796	0.718	7	109.2796	0.515	7	109.3648	0.336	17	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	C(CC[6a]HH)(F)3	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	C(CC[6a]HH)(F)3	H(CC[6a]CH)	109.0575	0.026	2	109.0575	0.001	2	108.8068	0.379	10	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C(CC[6a]HH)(F)3	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CF3)(H)2	C(CC[6a]HH)(F)3	H(CC[6a]CH)	109.0390	0.222	5	109.0390	0.049	5	108.8068	0.379	10	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)(H)2	C(CC[6a]HH)(F)3	H(CC[6a]CH)	C(C[6a]C[6a]2)(CF3)(H)2	C(CC[6a]HH)(F)3	H(CC[6a]CH)	108.2527	0.973	3	108.2527	0.947	3	108.8068	0.379	10	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.0270	0.088	4	109.0270	0.008	4	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.6277	0.603	23	108.6277	0.364	23	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.2680	0.148	4	109.2680	0.022	4	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.1035	0.023	2	109.1035	0.001	2	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.7744	0.605	28	108.7744	0.366	28	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.6143	0.182	7	108.6143	0.033	7	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.8874	0.493	14	108.8874	0.243	14	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.5280	0.011	2	109.5280	0.000	2	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.2220	0.000	1	108.2220	0.000	1	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.0298	0.378	4	109.0298	0.143	4	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.1177	0.190	3	109.1177	0.036	3	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.9857	0.657	53	108.9857	0.432	53	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.7570	0.831	2026	108.7570	0.691	2026	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.2257	1.733	98	109.2257	3.004	98	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	109.9207	2.906	19	109.9207	8.445	19	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	C(C[6a]N[6a]2)(CH3)(H)2	C(CC[6a]HH)(H)3	H(CC[6a]CH)	108.8773	0.249	15	108.8773	0.062	15	108.7949	0.843	2303	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(H)2(O)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(H)2(O)	H(CC[6a]CH)	109.2070	0.733	12	109.2070	0.537	12	109.2070	0.537	12	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(H)(O)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(H)(O)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	106.5530	2.346	4	106.5530	5.504	4	106.5530	5.504	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Ga-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaCC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	C(GaCC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	108.4140	0.191	10	108.4140	0.037	10	108.4910	0.063	12	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Ga-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaC[6a]2)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	C(GaC[6a]2)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	108.8760	0.065	2	108.8760	0.004	2	108.4910	0.063	12	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Ga[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[6,6]C[3x6]2)(CH3)(H)2	C(CGa[6,6]HH)(H)3	H(CGa[6,6]CH)	C(Ga[6,6]C[3x6]2)(CH3)(H)2	C(CGa[6,6]HH)(H)3	H(CGa[6,6]CH)	108.4915	0.419	10	108.4915	0.176	10	108.4915	0.176	10	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Ge-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeMoC)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	C(GeMoC)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	108.8517	0.571	4	108.8517	0.326	4	108.8517	0.326	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	In-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(InCS)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	C(InCS)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	108.3123	0.371	4	108.3123	0.138	4	108.2812	0.087	6	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	In-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(InGa[6]2)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	C(InGa[6]2)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	108.2190	0.091	2	108.2190	0.008	2	108.2812	0.087	6	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(NC[6a]C)(CBrHH)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	C(NC[6a]C)(CBrHH)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	109.4543	0.632	6	109.4543	0.399	6	109.4543	0.399	6	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(NC[6]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(NC[6]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	108.9725	0.006	2	108.9725	0.000	2	109.2159	1.532	50	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(NC[6a]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(NC[6a]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.3385	0.934	29	109.3385	0.873	29	109.2159	1.532	50	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(NC[6a]H)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	108.5609	2.545	8	108.5609	6.475	8	109.2159	1.532	50	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(NP[5]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(NP[5]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.4610	0.405	5	109.4610	0.164	5	109.2159	1.532	50	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(NP[6]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(NP[6]C)(CClHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.3740	0.212	6	109.3740	0.045	6	109.2159	1.532	50	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(NC[6a]H)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	C(NC[6a]H)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	109.1495	0.364	8	109.1495	0.132	8	109.3127	0.221	10	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(NN[5]H)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	C(NN[5]H)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	109.9655	0.046	2	109.9655	0.002	2	109.3127	0.221	10	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(NC[6a]H)(CFFH)(H)2	C(CHHN)(F)2(H)	H(CCHN)	C(NC[6a]H)(CFFH)(H)2	C(CHHN)(F)2(H)	H(CCHN)	108.6522	0.036	6	108.6522	0.001	6	108.6522	0.001	6	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NAlC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NAlC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2618	0.226	8	109.2618	0.051	8	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.4595	0.164	4	109.4595	0.027	4	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NB[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0893	0.196	6	109.0893	0.038	6	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NB[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7074	0.334	22	108.7074	0.111	22	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[3,3]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[3,3]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1846	0.235	7	109.1846	0.055	7	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[3,6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[3,6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	110.7957	0.602	4	110.7957	0.362	4	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[3]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[3]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9292	0.059	17	108.9292	0.003	17	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[4]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1310	0.553	113	109.1310	0.306	113	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5]2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2620	0.006	2	109.2620	0.000	2	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2789	0.176	34	109.2789	0.031	34	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3342	0.386	6	109.3342	0.149	6	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5a]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0195	0.863	29	109.0195	0.746	29	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]C[6a])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5a]C[6a])(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8750	0.020	2	108.8750	0.000	2	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5a]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3155	0.482	13	109.3155	0.233	13	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]Al)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]Al)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0188	0.017	4	109.0188	0.000	4	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9857	0.837	89	108.9857	0.700	89	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1049	0.369	16	109.1049	0.136	16	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]S)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]S)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7700	0.220	7	108.7700	0.048	7	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]Zn)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]Zn)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3790	0.066	2	109.3790	0.004	2	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1956	0.690	19	109.1956	0.476	19	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0109	0.918	2045	109.0109	0.842	2045	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.4198	0.590	140	109.4198	0.348	140	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]N)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0446	0.176	18	109.0446	0.031	18	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]P)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]P)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4145	0.122	4	108.4145	0.015	4	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]S)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1951	0.305	14	109.1951	0.093	14	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCoC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9289	0.771	24	108.9289	0.595	24	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCuC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2917	0.244	23	109.2917	0.059	23	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NFeC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.4412	0.122	4	109.4412	0.015	4	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NGa[6]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NGa[6]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.6010	0.000	1	109.6010	0.000	1	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NGdC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NGdC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.4282	0.235	6	109.4282	0.055	6	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NGeC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NGeC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6041	0.182	7	108.6041	0.033	7	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NGe[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NGe[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8183	0.056	4	108.8183	0.003	4	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NIrC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NIrC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7640	0.000	1	108.7640	0.000	1	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0253	0.066	3	109.0253	0.004	3	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMoC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMoC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0682	0.243	12	109.0682	0.059	12	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMoSi)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMoSi)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5910	0.000	1	108.5910	0.000	1	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NN[3]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NN[3]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0340	0.000	1	109.0340	0.000	1	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NN[5a]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NN[5a]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	111.5110	1.317	16	111.5110	1.735	16	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NNiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3141	0.242	22	109.3141	0.059	22	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[5]2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NP[5]2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1050	0.000	1	109.1050	0.000	1	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NP[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5409	0.209	8	108.5409	0.044	8	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NP[6]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8708	0.216	21	108.8708	0.047	21	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[6]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NP[6]H)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.4800	0.048	2	109.4800	0.002	2	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NPdC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	110.3262	1.023	6	110.3262	1.047	6	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NReC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NReC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	107.6270	0.027	2	107.6270	0.001	2	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6490	0.207	29	108.6490	0.043	29	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSi[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSi[5]C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5458	0.147	11	108.5458	0.022	11	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7858	1.177	4	108.7858	1.386	4	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZrC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NZrC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7370	0.000	1	108.7370	0.000	1	109.0563	0.755	2835	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(H)2(O)	H(CCHN)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(H)2(O)	H(CCHN)	109.6415	0.095	2	109.6415	0.009	2	109.6415	0.009	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[3]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3]C[3,4]2)(CH3)(H)2	C(CN[3]HH)(H)3	H(CN[3]CH)	C(N[3]C[3,4]2)(CH3)(H)2	C(CN[3]HH)(H)3	H(CN[3]CH)	115.4755	0.023	2	115.4755	0.001	2	115.4755	0.001	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Nb[4]C[4])(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	C(N[4]Nb[4]C[4])(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	108.6235	0.023	2	108.6235	0.001	2	108.7207	0.013	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]P[4]2)(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	C(N[4]P[4]2)(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	108.8180	0.020	2	108.8180	0.000	2	108.7207	0.013	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	H(CN[5]CH)	108.9088	0.188	6	108.9088	0.035	6	109.4947	1.708	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	H(CN[5]CH)	109.2343	0.399	7	109.2343	0.159	7	109.4947	1.708	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CBrHH)(H)2	C(CN[5]HH)(Br)(H)2	H(CN[5]CH)	112.1635	2.449	2	112.1635	5.996	2	109.4947	1.708	15	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5]C[3,5]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	C(N[5]C[3,5]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	106.7270	1.841	2	106.7270	3.390	2	108.2017	1.984	6	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	108.9700	0.025	2	108.9700	0.001	2	108.2017	1.984	6	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5]P[5,6]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	C(N[5]P[5,6]C[5])(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	108.9080	0.020	2	108.9080	0.000	2	108.2017	1.984	6	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(N[5]C[5,5]C[5])(CF3)(H)2	C(CN[5]HH)(F)3	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CF3)(H)2	C(CN[5]HH)(F)3	H(CN[5]CH)	108.4115	0.337	4	108.4115	0.114	4	109.0234	0.210	14	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	H(CN[5]CH)	C(N[5]C[5]2)(CF3)(H)2	C(CN[5]HH)(F)3	H(CN[5]CH)	109.2682	0.179	10	109.2682	0.032	10	109.0234	0.210	14	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.2183	0.768	59	109.2183	0.589	59	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,5a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.5205	0.016	2	109.5205	0.000	2	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.8568	0.147	4	108.8568	0.022	4	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.9891	0.467	28	108.9891	0.218	28	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.7833	0.012	4	108.7833	0.000	4	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.4265	1.069	10	109.4265	1.143	10	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.3699	0.814	344	109.3699	0.662	344	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.9393	0.023	3	108.9393	0.001	3	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.8312	0.136	4	108.8312	0.019	4	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.2201	1.778	1002	109.2201	3.160	1002	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]N[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.3491	0.881	103	109.3491	0.776	103	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]P[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]P[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.1185	0.030	2	109.1185	0.001	2	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]S[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.9963	0.100	3	108.9963	0.010	3	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]N[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]N[5]2)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.1588	0.324	6	109.1588	0.105	6	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]P[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]P[5,6]C[5])(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.2671	1.020	12	108.2671	1.041	12	109.2470	2.244	1586	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(N[5]C[5]2)(CHHI)(H)2	C(CN[5]HH)(H)2(I)	H(CN[5]CH)	C(N[5]C[5]2)(CHHI)(H)2	C(CN[5]HH)(H)2(I)	H(CN[5]CH)	108.7905	0.022	2	108.7905	0.000	2	108.7905	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	C(CN[5a]HH)(Br)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	C(CN[5a]HH)(Br)(H)2	H(CN[5a]CH)	108.7343	0.069	3	108.7343	0.005	3	108.9940	0.041	9	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CBrHH)(H)2	C(CN[5a]HH)(Br)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CBrHH)(H)2	C(CN[5a]HH)(Br)(H)2	H(CN[5a]CH)	109.1305	0.013	2	109.1305	0.000	2	108.9940	0.041	9	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	C(CN[5a]HH)(Br)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	C(CN[5a]HH)(Br)(H)2	H(CN[5a]CH)	109.1205	0.079	4	109.1205	0.006	4	108.9940	0.041	9	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	108.8600	0.000	1	108.8600	0.000	1	108.9811	0.143	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	108.7043	0.188	4	108.7043	0.035	4	108.9811	0.143	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	109.3040	0.442	4	109.3040	0.196	4	108.9811	0.143	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CClHH)(H)2	C(CN[5a]HH)(Cl)(H)2	H(CN[5a]CH)	108.9495	0.005	2	108.9495	0.000	2	108.9811	0.143	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(N[5a]C[5a]N[5a])(CF3)(H)2	C(CN[5a]HH)(F)3	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CF3)(H)2	C(CN[5a]HH)(F)3	H(CN[5a]CH)	109.2126	0.107	8	109.2126	0.011	8	109.2126	0.011	8	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.1060	0.023	2	109.1060	0.001	2	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.1530	0.091	4	109.1530	0.008	4	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	108.9797	0.086	6	108.9797	0.007	6	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.0260	0.037	2	109.0260	0.001	2	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.5320	0.000	1	109.5320	0.000	1	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.0876	0.133	8	109.0876	0.018	8	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.3073	0.293	6	109.3073	0.086	6	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.1297	0.441	233	109.1297	0.194	233	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.1891	0.604	137	109.1891	0.364	137	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.1650	0.057	2	109.1650	0.003	2	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.3544	0.684	80	109.3544	0.467	80	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	108.7302	0.392	4	108.7302	0.153	4	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.2723	0.518	36	109.2723	0.268	36	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.4602	0.930	18	109.4602	0.864	18	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]O[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a]O[5a])(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	111.5580	0.206	2	111.5580	0.043	2	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]N[5a]2)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	109.3645	0.032	2	109.3645	0.001	2	109.2053	0.321	543	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(N[5a]C[5a,6a]2)(CHHI)(H)2	C(CN[5a]HH)(H)2(I)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	C(CN[5a]HH)(H)2(I)	H(CN[5a]CH)	108.7030	0.024	2	108.7030	0.001	2	109.5335	0.920	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(N[5a]C[5a]2)(CHHI)(H)2	C(CN[5a]HH)(H)2(I)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHI)(H)2	C(CN[5a]HH)(H)2(I)	H(CN[5a]CH)	110.3640	0.007	2	110.3640	0.000	2	109.5335	0.920	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Se-1:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CSeHH)(H)2	C(CN[5a]HH)(Se)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CSeHH)(H)2	C(CN[5a]HH)(Se)(H)2	H(CN[5a]CH)	109.1250	0.010	2	109.1250	0.000	2	109.1250	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6,6]C[3x6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	C(N[6,6]C[3x6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	109.0320	0.006	2	109.0320	0.000	2	108.9973	0.002	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	108.9625	0.012	2	108.9625	0.000	2	108.9973	0.002	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CBrHH)(H)2	C(CN[6]HH)(Br)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CBrHH)(H)2	C(CN[6]HH)(Br)(H)2	H(CN[6]CH)	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	108.5771	0.665	10	108.5771	0.442	10	108.5816	2.679	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	C(N[6]C[6]N[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	104.4880	2.093	2	104.4880	4.381	2	108.5816	2.679	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	109.6106	0.282	8	109.6106	0.079	8	108.5816	2.679	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(N[6]C[5,6]2)(CF3)(H)2	C(CN[6]HH)(F)3	H(CN[6]CH)	C(N[6]C[5,6]2)(CF3)(H)2	C(CN[6]HH)(F)3	H(CN[6]CH)	109.3490	0.499	2	109.3490	0.249	2	109.3490	0.249	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CFHH)(H)2	C(CN[6]HH)(F)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CFHH)(H)2	C(CN[6]HH)(F)(H)2	H(CN[6]CH)	109.1090	0.020	2	109.1090	0.000	2	109.1090	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[3x6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	107.8850	0.264	2	107.8850	0.070	2	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[4,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[4,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.9055	0.019	2	108.9055	0.000	2	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[5,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[5,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.9030	0.020	2	108.9030	0.000	2	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.9061	0.237	36	108.9061	0.056	36	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[5,6]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[5,6]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.9394	0.416	19	108.9394	0.173	19	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.8639	0.402	16	108.8639	0.161	16	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.3632	0.042	4	109.3632	0.002	4	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.8861	0.445	79	108.8861	0.198	79	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.7535	0.137	40	108.7535	0.019	40	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.1365	0.612	2	109.1365	0.374	2	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.0816	1.293	96	109.0816	1.673	96	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.2572	0.159	4	109.2572	0.025	4	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.8114	1.569	20	109.8114	2.461	20	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.9007	0.407	6	108.9007	0.166	6	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.2587	0.907	282	109.2587	0.823	282	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.9507	1.420	4	109.9507	2.016	4	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.4352	0.161	6	109.4352	0.026	6	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]P[5,6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]P[5,6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.8530	0.169	4	108.8530	0.028	4	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]P[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]P[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.8440	0.011	2	108.8440	0.000	2	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]P[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.4097	0.916	15	109.4097	0.839	15	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]P[6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]P[6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.8120	0.084	3	108.8120	0.007	3	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.9278	0.338	33	108.9278	0.114	33	109.1177	0.772	677	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CClHH)(H)2	C(CN[6a]HH)(Cl)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CClHH)(H)2	C(CN[6a]HH)(Cl)(H)2	H(CN[6a]CH)	109.5330	0.007	2	109.5330	0.000	2	110.1043	15.299	12	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CClHH)(H)2	C(CN[6a]HH)(Cl)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CClHH)(H)2	C(CN[6a]HH)(Cl)(H)2	H(CN[6a]CH)	108.9885	0.641	4	108.9885	0.410	4	110.1043	15.299	12	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6a]C[6a]N[6a])(CClHH)(H)2	C(CN[6a]HH)(Cl)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CClHH)(H)2	C(CN[6a]HH)(Cl)(H)2	H(CN[6a]CH)	111.0387	5.589	6	111.0387	31.238	6	110.1043	15.299	12	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(N[6a]C[6a]2)(CF3)(H)2	C(CN[6a]HH)(F)3	H(CN[6a]CH)	C(N[6a]C[6a]2)(CF3)(H)2	C(CN[6a]HH)(F)3	H(CN[6a]CH)	109.3890	0.031	2	109.3890	0.001	2	109.3890	0.001	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	C(CN[6a]HH)(F)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	C(CN[6a]HH)(F)(H)2	H(CN[6a]CH)	109.3470	0.014	2	109.3470	0.000	2	109.3470	0.000	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]B[6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	110.4722	1.471	14	110.4722	2.164	14	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[5,6a]2)(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]C[5,6a]2)(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	110.6983	1.881	7	110.6983	3.537	7	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	109.3332	0.066	4	109.3332	0.004	4	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	109.5640	0.014	2	109.5640	0.000	2	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	110.0068	2.454	6	110.0068	6.024	6	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	108.3920	0.239	6	108.3920	0.057	6	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	109.4575	1.191	135	109.4575	1.419	135	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	C(N[6a]C[6a]2)(CH3)(H)2	C(CN[6a]HH)(H)3	H(CN[6a]CH)	109.3266	1.083	103	109.3266	1.172	103	109.4793	1.540	277	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:C-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OAl2)(CH3)(C)(H)	C(CCHO)(H)3	H(CCCO)	C(OAl2)(CH3)(C)(H)	C(CCHO)(H)3	H(CCCO)	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OAgC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OAgC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.8507	0.137	12	109.8507	0.019	12	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OAl2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OAl2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.0741	0.205	10	109.0741	0.042	10	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OAlC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OAlC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.1911	0.259	42	109.1911	0.067	42	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6]Tb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[6]Tb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.4477	0.106	4	109.4477	0.011	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a]Ca)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[6a]Ca)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.0790	0.053	4	109.0790	0.003	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a]Pd)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[6a]Pd)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.3580	0.018	2	109.3580	0.000	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a]Ru)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OC[6a]Ru)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.3187	0.078	3	109.3187	0.006	3	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCaC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OCaC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2679	0.511	14	109.2679	0.261	14	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCdH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OCdH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	107.8221	1.529	9	107.8221	2.337	9	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCo2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OCo2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.0365	0.012	2	109.0365	0.000	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCoH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OCoH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.0835	0.448	10	109.0835	0.201	10	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCrC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OCrC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.9497	0.039	4	108.9497	0.002	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCuC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OCuC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.5937	0.284	3	109.5937	0.081	3	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCuH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OCuH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.6891	0.973	19	108.6891	0.947	19	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ODyC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ODyC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.8450	0.673	4	109.8450	0.453	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OEuH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OEuH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2400	0.334	2	109.2400	0.111	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OFe2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OFe2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	111.4330	2.606	4	111.4330	6.791	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OFeC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OFeC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.9631	0.218	11	108.9631	0.047	11	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OFeH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OFeH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.9889	1.535	25	109.9889	2.356	25	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OGaC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OGaC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.3204	0.206	10	109.3204	0.042	10	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OGeC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OGeC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.0447	1.634	4	110.0447	2.671	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OHfC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OHfC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2190	0.023	2	109.2190	0.001	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OIn[5,5]H)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OIn[5,5]H)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2460	0.018	2	109.2460	0.000	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OIn[6]2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OIn[6]2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	106.9900	0.028	2	106.9900	0.001	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OIrH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OIrH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2085	0.036	2	109.2085	0.001	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OLi2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OLi2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	105.2040	0.051	2	105.2040	0.003	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OLiC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OLiC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2839	0.749	364	109.2839	0.561	364	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OLiH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OLiH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.8222	0.161	4	108.8222	0.026	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMg2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMg2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.9218	0.122	6	108.9218	0.015	6	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMgC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMgC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.1338	1.417	97	109.1338	2.009	97	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMgH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMgH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2087	0.102	9	109.2087	0.010	9	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMgSi)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMgSi)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.8790	0.886	4	108.8790	0.786	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMn2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMn2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.1827	0.142	6	109.1827	0.020	6	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMnC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMnC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.0597	0.307	7	109.0597	0.094	7	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMnH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMnH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.9845	0.796	51	108.9845	0.634	51	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMnSb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMnSb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	111.9534	5.119	8	111.9534	26.207	8	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMoC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMoC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.9336	1.434	8	109.9336	2.056	8	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMoH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMoH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.1393	0.712	14	109.1393	0.507	14	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONb[5,5]C)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ONb[5,5]C)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.4690	0.189	4	109.4690	0.036	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONiH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ONiH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.3973	5.088	34	108.3973	25.887	34	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONiSb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ONiSb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.8819	3.198	8	109.8819	10.226	8	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OPdC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OPdC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.4648	0.128	6	109.4648	0.016	6	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ORh2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ORh2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	104.9440	0.301	2	104.9440	0.091	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ORhH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ORhH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.9181	0.712	8	108.9181	0.507	8	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ORu2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ORu2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.2700	6.198	2	108.2700	38.421	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OSmH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OSmH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.4048	0.380	6	109.4048	0.144	6	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OSn2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OSn2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.3964	0.760	29	109.3964	0.578	29	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OSnH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OSnH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.4917	0.511	3	109.4917	0.261	3	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTaC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OTaC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.8137	0.812	12	108.8137	0.659	12	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTbH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OTbH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2200	0.077	4	109.2200	0.006	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTcH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OTcH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.5440	0.028	2	109.5440	0.001	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTi2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OTi2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.2630	0.081	4	109.2630	0.007	4	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTiC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OTiC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.0734	1.650	8	110.0734	2.723	8	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OYbH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OYbH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.4570	0.049	2	109.4570	0.002	2	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZn2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OZn2)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.5526	0.966	16	109.5526	0.933	16	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZnC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OZnC)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.0228	0.352	18	109.0228	0.124	18	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZnH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OZnH)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	108.3065	1.586	18	108.3065	2.514	18	109.2071	2.176	972	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	O[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(O[4]H[4]2)(CH3)(H)2	C(CO[4]HH)(H)3	H(CO[4]CH)	C(O[4]H[4]2)(CH3)(H)2	C(CO[4]HH)(H)3	H(CO[4]CH)	106.2580	7.862	2	106.2580	61.805	2	106.2580	61.805	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5a]C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.1623	0.109	3	109.1623	0.012	3	109.2382	4.152	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PPdC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6720	0.048	2	108.6720	0.002	2	109.2382	4.152	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPtC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PPtC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.3181	2.791	11	109.3181	7.788	11	109.2382	4.152	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRhP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.3585	0.253	4	109.3585	0.064	4	109.2382	4.152	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	P[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]P[5]2)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	C(P[5]P[5]2)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	109.7820	0.372	10	109.7820	0.139	10	109.7820	0.139	10	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(SC[6a]2)(CBrHH)(H)2	C(CHHS)(Br)(H)2	H(CCHS)	C(SC[6a]2)(CBrHH)(H)2	C(CHHS)(Br)(H)2	H(CCHS)	110.8505	1.463	2	110.8505	2.140	2	110.8505	2.140	2	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SAgC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SAgC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.8420	0.664	4	109.8420	0.441	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SAlC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SAlC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.1585	0.013	2	109.1585	0.000	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5]Ir)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[5]Ir)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.1880	0.028	2	108.1880	0.001	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5a]O)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[5a]O)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.4234	0.240	45	109.4234	0.058	45	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6]O)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6]O)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.6560	0.297	4	109.6560	0.088	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]O)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6a]O)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	112.7035	0.053	2	112.7035	0.003	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]Pd)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6a]Pd)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.5555	0.110	10	108.5555	0.012	10	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]Ru)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6a]Ru)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.8035	0.012	2	108.8035	0.000	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCo2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SCo2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.8867	0.368	42	108.8867	0.135	42	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCoC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SCoC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.3047	0.546	14	109.3047	0.298	14	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCrC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SCrC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.8053	0.108	4	109.8053	0.012	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCuC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SCuC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	110.8265	2.186	11	110.8265	4.778	11	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCuIn)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SCuIn)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.3085	0.403	4	109.3085	0.162	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SFe2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SFe2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.4474	0.302	99	109.4474	0.091	99	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SFeC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SFeC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.8855	0.036	2	108.8855	0.001	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SGaC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SGaC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.1525	0.025	2	109.1525	0.001	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SGeC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SGeC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.7320	0.069	2	109.7320	0.005	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SInC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SInC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	107.9430	0.021	2	107.9430	0.000	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SIn[4]C)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SIn[4]C)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.8145	0.030	2	108.8145	0.001	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SIrC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SIrC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.5410	0.020	2	109.5410	0.000	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SMnNi)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SMnNi)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.4977	0.096	8	109.4977	0.009	8	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SMo2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SMo2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.9928	0.203	4	108.9928	0.041	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SMoC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SMoC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.8340	0.349	6	109.8340	0.122	6	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SMoW)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SMoW)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.1376	0.251	16	109.1376	0.063	16	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SNbC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SNbC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.1510	0.010	2	109.1510	0.000	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SNi2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SNi2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.6161	0.196	8	109.6161	0.039	8	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SNiC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SNiC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.5865	0.033	2	108.5865	0.001	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SPdC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SPdC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.7955	0.447	12	108.7955	0.200	12	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SPtC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SPtC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.3666	2.809	35	109.3666	7.891	35	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SReC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SReC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.3985	0.139	2	108.3985	0.019	2	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SRu2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SRu2)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.1008	0.379	4	109.1008	0.143	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SRuC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SRuC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.0913	0.391	4	109.0913	0.153	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SSbC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SSbC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.8855	0.190	4	108.8855	0.036	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SSnC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SSnC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.7918	0.045	4	109.7918	0.002	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(STaC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(STaC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.9303	0.552	4	108.9303	0.305	4	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SZnC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SZnC)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	110.1342	3.052	6	110.1342	9.316	6	109.3427	1.280	378	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	S[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[6]N[6]2)(CH3)(H)2	C(CS[6]HH)(H)3	H(CS[6]CH)	C(S[6]N[6]2)(CH3)(H)2	C(CS[6]HH)(H)3	H(CS[6]CH)	109.7725	0.141	4	109.7725	0.020	4	109.7725	0.020	4	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeCC)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	C(SeCC)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	111.3100	0.000	1	111.3100	0.000	1	109.5909	0.363	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeFe2)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	C(SeFe2)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	109.4155	0.030	2	109.4155	0.001	2	109.5909	0.363	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeMo2)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	C(SeMo2)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	109.4180	0.006	2	109.4180	0.000	2	109.5909	0.363	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeSeTi)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	C(SeSeTi)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	109.0855	0.023	2	109.0855	0.001	2	109.5909	0.363	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeSnC)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	C(SeSnC)(CH3)(H)2	C(CSeHH)(H)3	H(CSeCH)	109.5880	0.116	4	109.5880	0.014	4	109.5909	0.363	11	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Si-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6]C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[6]C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.5984	0.229	16	108.5984	0.052	16	108.5828	0.087	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:1:1:1:	4:	Si-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiMoC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiMoC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.5200	0.531	4	108.5200	0.282	4	108.5828	0.087	20	109.0402	1.257	14218	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:F-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]C)(CHHO)(F)(H)	C(CCFH)(OH)(H)2	H(CCCF)	C(CC[6a]C)(CHHO)(F)(H)	C(CCFH)(OH)(H)2	H(CCCF)	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[3]Cl)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[3]Cl)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.2833	0.122	4	108.2833	0.015	4	108.7646	0.279	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.1325	0.046	2	109.1325	0.002	2	108.7646	0.279	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.3595	0.011	2	109.3595	0.000	2	108.7646	0.279	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NMo)(H)2	H(CCCH)	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NMo)(H)2	H(CCCH)	108.2170	0.024	2	108.2170	0.001	2	108.8665	0.289	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	109.4005	0.029	2	109.4005	0.001	2	108.8665	0.289	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CN[5]O)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CN[5]O)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	108.9820	0.020	2	108.9820	0.000	2	108.8665	0.289	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[3]C)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CC[3]C)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	107.1901	1.019	12	107.1901	1.039	12	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[4]H)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[4]H)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.9540	0.034	2	108.9540	0.001	2	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]C)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5]C)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.5505	0.034	4	109.5505	0.001	4	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]O)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5a]O)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.0230	0.035	2	108.0230	0.001	2	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]C)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6]C)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.3265	0.029	2	109.3265	0.001	2	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]O)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6]O)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.6186	0.052	9	108.6186	0.003	9	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]C)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6a]C)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.1333	0.258	6	109.1333	0.067	6	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]C)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6a]C)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.2240	0.000	1	109.2240	0.000	1	108.3863	1.124	38	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[4]C[4]2)(CHHO)(H)2	C(CC[4]HH)(OC)(H)2	H(CC[4]CH)	C(C[4]C[4]2)(CHHO)(H)2	C(CC[4]HH)(OC)(H)2	H(CC[4]CH)	108.2540	0.030	2	108.2540	0.001	2	108.2540	0.001	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CC)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CC)(H)2	H(CC[5]CH)	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NC)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NC)(H)2	H(CC[5]CH)	108.7735	0.212	4	108.7735	0.045	4	108.8210	0.033	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NS)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NS)(H)2	H(CC[5]CH)	108.9160	0.047	2	108.9160	0.002	2	108.8210	0.033	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	109.3355	0.018	2	109.3355	0.000	2	109.4347	2.705	39	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.9262	0.302	4	108.9262	0.091	4	109.4347	2.705	39	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	109.5345	0.039	2	109.5345	0.002	2	109.4347	2.705	39	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	108.6270	0.000	1	108.6270	0.000	1	109.4347	2.705	39	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	111.2755	4.850	2	111.2755	23.523	2	109.4347	2.705	39	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	109.5763	1.841	21	109.5763	3.391	21	109.4347	2.705	39	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(OP)(H)2	H(CC[5]CH)	C(C[5]C[5]S[5])(CHHO)(H)2	C(CC[5]HH)(OP)(H)2	H(CC[5]CH)	108.8899	0.170	7	108.8899	0.029	7	109.4347	2.705	39	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CC)(H)2	H(CC[5a]CH)	108.7235	0.011	2	108.7235	0.000	2	108.9307	0.058	4	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CN)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CN)(H)2	H(CC[5a]CH)	109.1380	0.052	2	109.1380	0.003	2	108.9307	0.058	4	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-2:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CH3)(H)2	C(CC[5a]HH)(HCl)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CH3)(H)2	C(CC[5a]HH)(HCl)(H)2	H(CC[5a]CH)	109.2445	0.028	2	109.2445	0.001	2	109.2445	0.001	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC)(H)2	H(CC[5a]CH)	108.7521	0.404	8	108.7521	0.163	8	108.8776	0.126	14	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[5])(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[5])(H)2	H(CC[5a]CH)	108.6860	0.000	1	108.6860	0.000	1	108.8776	0.126	14	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NC)(H)2	H(CC[5a]CH)	109.1450	0.110	4	109.1450	0.012	4	108.8776	0.126	14	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C(CC[5a]HH)(NC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C(CC[5a]HH)(NC)(H)2	H(CC[5a]CH)	109.0040	0.000	1	109.0040	0.000	1	108.8776	0.126	14	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CC[5a]HH)(OH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CC[5a]HH)(OH)(H)2	H(CC[5a]CH)	109.0591	0.162	8	109.0591	0.026	8	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C(CC[5a]HH)(OC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C(CC[5a]HH)(OC)(H)2	H(CC[5a]CH)	108.5365	0.006	2	108.5365	0.000	2	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C(CC[5a]HH)(OH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHO)(H)2	C(CC[5a]HH)(OH)(H)2	H(CC[5a]CH)	109.3535	0.046	2	109.3535	0.002	2	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C(CC[5a]HH)(OC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C(CC[5a]HH)(OC)(H)2	H(CC[5a]CH)	109.5355	0.033	2	109.5355	0.001	2	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C(CC[5a]HH)(OH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C(CC[5a]HH)(OH)(H)2	H(CC[5a]CH)	108.7570	0.128	4	108.7570	0.016	4	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C(CC[5a]HH)(OS)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CHHO)(H)2	C(CC[5a]HH)(OS)(H)2	H(CC[5a]CH)	108.9215	0.026	2	108.9215	0.001	2	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHO)(H)2	C(CC[5a]HH)(OC[6a])(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHHO)(H)2	C(CC[5a]HH)(OC[6a])(H)2	H(CC[5a]CH)	108.5220	0.018	2	108.5220	0.000	2	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHO)(H)2	C(CC[5a]HH)(OS)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHHO)(H)2	C(CC[5a]HH)(OS)(H)2	H(CC[5a]CH)	108.4860	0.000	1	108.4860	0.000	1	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	C(CC[5a]HH)(OSi)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	C(CC[5a]HH)(OSi)(H)2	H(CC[5a]CH)	108.9490	0.031	2	108.9490	0.001	2	108.9449	0.101	25	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CHHS)(H)2	C(CC[5a]HH)(SC[6a])(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CHHS)(H)2	C(CC[5a]HH)(SC[6a])(H)2	H(CC[5a]CH)	108.9710	0.007	2	108.9710	0.000	2	109.4367	1.048	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CHHS)(H)2	C(CC[5a]HH)(SC)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CHHS)(H)2	C(CC[5a]HH)(SC)(H)2	H(CC[5a]CH)	109.1610	0.011	2	109.1610	0.000	2	109.4367	1.048	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CHHS)(H)2	C(CC[5a]HH)(SC)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CHHS)(H)2	C(CC[5a]HH)(SC)(H)2	H(CC[5a]CH)	110.1780	1.885	2	110.1780	3.554	2	109.4367	1.048	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	H(CC[6]CH)	108.7535	0.032	2	108.7535	0.001	2	109.6756	0.671	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC)(H)2	H(CC[6]CH)	109.5265	0.012	2	109.5265	0.000	2	109.6756	0.671	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NN)(H)2	H(CC[6]CH)	110.2113	0.775	4	110.2113	0.600	4	109.6756	0.671	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	H(CC[6]CH)	105.7490	0.935	2	105.7490	0.874	2	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	109.0375	0.081	2	109.0375	0.007	2	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	108.7740	0.698	4	108.7740	0.487	4	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	H(CC[6]CH)	108.8255	0.006	2	108.8255	0.000	2	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	H(CC[6]CH)	109.2585	0.016	2	109.2585	0.000	2	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	109.3143	0.264	4	109.3143	0.070	4	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	108.5845	2.207	6	108.5845	4.873	6	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	108.9080	0.010	2	108.9080	0.000	2	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi)(H)2	H(CC[6]CH)	108.9675	0.028	2	108.9675	0.001	2	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	H(CC[6]CH)	C(C[6]C[6]O[6])(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	H(CC[6]CH)	108.8910	0.106	4	108.8910	0.011	4	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]N[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]N[6]2)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	109.0315	0.018	2	109.0315	0.000	2	108.7181	1.531	32	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CHHS)(H)2	C(CC[6]HH)(SC[6a])(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CHHS)(H)2	C(CC[6]HH)(SC[6a])(H)2	H(CC[6]CH)	108.1685	0.042	4	108.1685	0.002	4	108.2447	0.738	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SAs)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SAs)(H)2	H(CC[6]CH)	108.3970	1.901	2	108.3970	3.613	2	108.2447	0.738	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a])(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a])(H)2	H(CC[6a]CH)	107.0390	0.443	2	107.0390	0.196	2	108.5362	0.656	10	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN)(H)2	H(CC[6a]CH)	108.9105	0.123	8	108.9105	0.015	8	108.5362	0.656	10	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Ge-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CGeHH)(H)2	C(CC[6a]HH)(GeN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CGeHH)(H)2	C(CC[6a]HH)(GeN)(H)2	H(CC[6a]CH)	108.6895	0.045	2	108.6895	0.002	2	108.6895	0.002	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CFFN)(H)2	C(CC[6a]HH)(NO)(F)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFFN)(H)2	C(CC[6a]HH)(NO)(F)2	H(CC[6a]CH)	108.9085	0.009	2	108.9085	0.000	2	108.9085	0.000	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC)(H)2	H(CC[6a]CH)	108.7692	0.632	28	108.7692	0.400	28	108.6717	1.212	30	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC)(H)2	H(CC[6a]CH)	107.3065	4.512	2	107.3065	20.359	2	108.6717	1.212	30	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C(CC[6a]HH)(OC[6a])(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C(CC[6a]HH)(OC[6a])(H)2	H(CC[6a]CH)	109.1470	1.536	2	109.1470	2.359	2	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C(CC[6a]HH)(OH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	C(CC[6a]HH)(OH)(H)2	H(CC[6a]CH)	109.0595	0.426	8	109.0595	0.181	8	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OC)(H)2	H(CC[6a]CH)	108.9662	0.453	27	108.9662	0.205	27	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OC[6])(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OC[6])(H)2	H(CC[6a]CH)	108.0940	0.330	2	108.0940	0.109	2	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OC[6a])(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OC[6a])(H)2	H(CC[6a]CH)	108.9122	0.829	26	108.9122	0.688	26	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OH)(H)2	H(CC[6a]CH)	108.9266	0.678	31	108.9266	0.459	31	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(ONi)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(ONi)(H)2	H(CC[6a]CH)	108.5640	0.000	1	108.5640	0.000	1	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OP)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OP)(H)2	H(CC[6a]CH)	109.2507	0.419	8	109.2507	0.176	8	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OS)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OS)(H)2	H(CC[6a]CH)	108.9120	0.010	2	108.9120	0.000	2	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(OC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(OC)(H)2	H(CC[6a]CH)	109.2530	0.031	2	109.2530	0.001	2	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(OC[6a])(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(OC[6a])(H)2	H(CC[6a]CH)	109.6101	0.136	7	109.6101	0.019	7	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(OH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	C(CC[6a]HH)(OH)(H)2	H(CC[6a]CH)	109.3110	0.021	2	109.3110	0.000	2	109.0024	0.403	118	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-2:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CFFS)(H)2	C(CC[6a]HH)(SC[6a])(F)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFFS)(H)2	C(CC[6a]HH)(SC[6a])(F)2	H(CC[6a]CH)	109.3785	0.008	2	109.3785	0.000	2	109.3785	0.000	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC)(H)2	H(CC[6a]CH)	108.4919	0.229	8	108.4919	0.052	8	108.7436	0.142	16	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC[6])(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC[6])(H)2	H(CC[6a]CH)	109.1008	0.339	4	109.1008	0.115	4	108.7436	0.142	16	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC[6a])(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC[6a])(H)2	H(CC[6a]CH)	108.6125	0.021	2	108.6125	0.000	2	108.7436	0.142	16	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCu)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCu)(H)2	H(CC[6a]CH)	109.1670	0.007	2	109.1670	0.000	2	108.7436	0.142	16	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	In-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(InClC)(CCHH)(H)2	C(CInHH)(CH)(H)2	H(CInCH)	C(InClC)(CCHH)(H)2	C(CInHH)(CH)(H)2	H(CInCH)	100.2314	6.182	2	100.2314	38.222	2	100.2314	38.222	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	109.0392	0.062	4	109.0392	0.004	4	109.1469	0.435	11	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	109.4498	0.901	5	109.4498	0.812	5	109.1469	0.435	11	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	108.6050	0.048	2	108.6050	0.002	2	109.1469	0.435	11	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.6500	0.006	2	109.6500	0.000	2	109.0647	0.209	22	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	108.5380	0.436	4	108.5380	0.190	4	109.0647	0.209	22	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	109.1508	0.391	6	109.1508	0.153	6	109.0647	0.209	22	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.3840	0.080	6	109.3840	0.006	6	109.0647	0.209	22	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	108.6905	0.034	4	108.6905	0.001	4	109.0647	0.209	22	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.0800	0.290	8	109.0800	0.084	8	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.0800	0.014	2	109.0800	0.000	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[5a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.9190	0.000	1	108.9190	0.000	1	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6,6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6,6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.1680	0.023	2	109.1680	0.001	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6,6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6,6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.6810	0.018	2	109.6810	0.000	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.9481	0.406	8	108.9481	0.165	8	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	H(CCHN)	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	H(CCHN)	107.0557	7.277	4	107.0557	52.959	4	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.1945	0.030	2	109.1945	0.001	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.0060	0.159	3	109.0060	0.025	3	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.0373	0.434	8	109.0373	0.189	8	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.8547	0.563	75	108.8547	0.317	75	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	H(CCHN)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OGe)(H)2	H(CCHN)	108.4785	2.886	12	108.4785	8.329	12	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6a]C)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.8501	0.431	59	108.8501	0.186	59	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.4306	0.459	18	109.4306	0.211	18	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.2338	0.574	39	109.2338	0.330	39	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OS)(H)2	H(CCHN)	C(NC[6a]H)(CHHO)(H)2	C(CHHN)(OS)(H)2	H(CCHN)	109.2151	0.301	7	109.2151	0.091	7	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]N)(CHHO)(H)2	C(CHHN)(ON)(H)2	H(CCHN)	C(NC[6a]N)(CHHO)(H)2	C(CHHN)(ON)(H)2	H(CCHN)	108.3705	0.005	2	108.3705	0.000	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.3015	0.012	2	109.3015	0.000	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6a]S)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	110.1795	1.511	2	110.1795	2.283	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]Zn)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6a]Zn)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.2315	0.026	2	109.2315	0.001	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NN[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NN[5]H)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.8880	0.058	2	109.8880	0.003	2	108.9663	1.314	260	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[5]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NC[5]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.7935	0.304	4	108.7935	0.092	4	109.0779	0.243	35	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[5]H)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NC[5]H)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.1870	0.277	4	109.1870	0.077	4	109.0779	0.243	35	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.2322	0.329	16	109.2322	0.108	16	109.0779	0.243	35	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	C(NC[6a]C)(CHHS)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	108.9771	0.844	8	108.9771	0.712	8	109.0779	0.243	35	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHS)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	C(NC[6a]H)(CHHS)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	108.7110	0.000	1	108.7110	0.000	1	109.0779	0.243	35	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[6a]N)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NC[6a]N)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.7805	0.008	2	108.7805	0.000	2	109.0779	0.243	35	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	H(CN[5]CH)	109.2770	0.093	2	109.2770	0.009	2	109.2265	0.074	17	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	H(CN[5]CH)	108.9623	0.036	3	108.9623	0.001	3	109.2265	0.074	17	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC)(H)2	H(CN[5]CH)	109.2695	0.016	2	109.2695	0.000	2	109.2265	0.074	17	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	H(CN[5]CH)	109.3032	0.352	6	109.3032	0.124	6	109.2265	0.074	17	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN)(H)2	H(CN[5]CH)	109.2630	0.314	4	109.2630	0.099	4	109.2265	0.074	17	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	H(CN[5]CH)	108.7609	0.357	14	108.7609	0.127	14	109.0318	0.090	41	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC)(H)2	H(CN[5]CH)	109.1723	0.123	27	109.1723	0.015	27	109.0318	0.090	41	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	109.1825	0.042	2	109.1825	0.002	2	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	109.4260	0.216	3	109.4260	0.047	3	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	108.4057	2.874	4	108.4057	8.258	4	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	109.2517	0.212	37	109.2517	0.045	37	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	108.9174	0.396	20	108.9174	0.157	20	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	109.1659	0.248	24	109.1659	0.061	24	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	109.0626	0.510	153	109.0626	0.261	153	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[5])(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[5])(H)2	H(CN[5]CH)	109.0237	0.128	6	109.0237	0.016	6	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6])(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6])(H)2	H(CN[5]CH)	109.0420	0.000	1	109.0420	0.000	1	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	109.0901	0.656	55	109.0901	0.430	55	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	109.4321	0.848	71	109.4321	0.719	71	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ON)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ON)(H)2	H(CN[5]CH)	109.1265	0.025	2	109.1265	0.001	2	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OS)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OS)(H)2	H(CN[5]CH)	109.3065	0.019	2	109.3065	0.000	2	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC)(H)2	H(CN[5]CH)	108.9098	0.158	19	108.9098	0.025	19	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	109.5018	1.081	9	109.5018	1.169	9	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCd)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCd)(H)2	H(CN[5]CH)	109.0220	0.023	2	109.0220	0.001	2	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	109.2179	0.107	10	109.2179	0.012	10	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi)(H)2	H(CN[5]CH)	108.8240	0.055	2	108.8240	0.003	2	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OP)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OP)(H)2	H(CN[5]CH)	109.1965	0.035	2	109.1965	0.001	2	109.1468	0.396	424	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	H(CN[5]CH)	109.1211	0.278	10	109.1211	0.077	10	109.2763	0.073	36	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5])(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5])(H)2	H(CN[5]CH)	109.5005	0.005	2	109.5005	0.000	2	109.2763	0.073	36	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	H(CN[5]CH)	109.4800	0.021	2	109.4800	0.000	2	109.2763	0.073	36	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC)(H)2	H(CN[5]CH)	109.2694	0.272	10	109.2694	0.074	10	109.2763	0.073	36	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5a])(H)2	H(CN[5]CH)	109.5190	0.004	2	109.5190	0.000	2	109.2763	0.073	36	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6])(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6])(H)2	H(CN[5]CH)	109.3375	0.022	2	109.3375	0.000	2	109.2763	0.073	36	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[6a])(H)2	H(CN[5]CH)	109.2959	0.300	8	109.2959	0.090	8	109.2763	0.073	36	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SeC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SeC)(H)2	H(CN[5]CH)	108.9035	0.338	4	108.9035	0.114	4	108.9035	0.114	4	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	109.4361	1.258	7	109.4361	1.583	7	109.3340	0.868	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	109.5955	0.012	2	109.5955	0.000	2	109.3340	0.868	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	109.1813	0.846	4	109.1813	0.716	4	109.3340	0.868	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN)(H)2	H(CN[5a]CH)	109.0205	0.030	2	109.0205	0.001	2	109.3340	0.868	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NC)(H)2	H(CN[5a]CH)	109.5760	0.000	1	109.5760	0.000	1	109.3780	0.029	3	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NC)(H)2	H(CN[5a]CH)	109.2790	0.011	2	109.2790	0.000	2	109.3780	0.029	3	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	108.9737	0.047	4	108.9737	0.002	4	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CN[5a]HH)(OC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CN[5a]HH)(OC)(H)2	H(CN[5a]CH)	109.0898	0.562	18	109.0898	0.316	18	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CN[5a]HH)(OC[6a])(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CN[5a]HH)(OC[6a])(H)2	H(CN[5a]CH)	108.7215	0.073	2	108.7215	0.005	2	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	109.0949	0.410	16	109.0949	0.168	16	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OC)(H)2	H(CN[5a]CH)	109.7971	1.184	54	109.7971	1.402	54	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OC[6a])(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OC[6a])(H)2	H(CN[5a]CH)	108.2848	1.793	4	108.2848	3.214	4	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	109.5078	0.732	26	109.5078	0.536	26	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OS)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHO)(H)2	C(CN[5a]HH)(OS)(H)2	H(CN[5a]CH)	108.9543	0.053	4	108.9543	0.003	4	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OC)(H)2	H(CN[5a]CH)	109.7329	1.265	22	109.7329	1.599	22	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OC[6])(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OC[6])(H)2	H(CN[5a]CH)	108.1170	1.279	4	108.1170	1.636	4	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OC[6a])(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OC[6a])(H)2	H(CN[5a]CH)	108.9258	0.897	33	108.9258	0.805	33	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OH)(H)2	H(CN[5a]CH)	109.1831	0.574	14	109.1831	0.330	14	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OP)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHO)(H)2	C(CN[5a]HH)(OP)(H)2	H(CN[5a]CH)	109.0533	0.085	4	109.0533	0.007	4	109.3346	1.029	205	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:O-1:	C-4:	C(N[5a]C[5a,6a]2)(CHOO)(H)2	C(CN[5a]HH)(OH)(H)(O)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	C(CN[5a]HH)(OH)(H)(O)	H(CN[5a]CH)	108.7150	1.097	2	108.7150	1.204	2	108.7150	1.204	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SC)(H)2	H(CN[5a]CH)	109.3035	0.027	4	109.3035	0.001	4	109.2561	0.110	18	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SC[6a])(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SC[6a])(H)2	H(CN[5a]CH)	108.9475	0.016	2	108.9475	0.000	2	109.2561	0.110	18	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHS)(H)2	C(CN[5a]HH)(SC[6])(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHS)(H)2	C(CN[5a]HH)(SC[6])(H)2	H(CN[5a]CH)	109.7740	0.017	2	109.7740	0.000	2	109.2561	0.110	18	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHS)(H)2	C(CN[5a]HH)(SC[6a])(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHS)(H)2	C(CN[5a]HH)(SC[6a])(H)2	H(CN[5a]CH)	109.5085	0.057	2	109.5085	0.003	2	109.2561	0.110	18	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C(CN[5a]HH)(SC[6a])(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C(CN[5a]HH)(SC[6a])(H)2	H(CN[5a]CH)	109.0220	0.258	4	109.0220	0.067	4	109.2561	0.110	18	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C(CN[5a]HH)(SS)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHS)(H)2	C(CN[5a]HH)(SS)(H)2	H(CN[5a]CH)	109.2120	0.440	4	109.2120	0.194	4	109.2561	0.110	18	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	C(CN[5a]HH)(SeC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	C(CN[5a]HH)(SeC)(H)2	H(CN[5a]CH)	109.0897	0.251	4	109.0897	0.063	4	109.0897	0.063	4	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CN)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CN)(H)2	H(CN[6]CH)	109.0265	0.022	2	109.0265	0.000	2	109.0530	0.385	10	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	H(CN[6]CH)	109.0596	0.703	8	109.0596	0.494	8	109.0530	0.385	10	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC)(H)2	H(CN[6]CH)	111.0712	2.003	4	111.0712	4.013	4	111.3845	8.381	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6])(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6])(H)2	H(CN[6]CH)	109.0025	0.043	2	109.0025	0.002	2	111.3845	8.381	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH)(H)2	H(CN[6]CH)	114.3930	4.097	2	114.3930	16.785	2	111.3845	8.381	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(CHHO)(H)2	C(CN[6]HH)(OB)(H)2	H(CN[6]CH)	C(N[6]B[6]C[6])(CHHO)(H)2	C(CN[6]HH)(OB)(H)2	H(CN[6]CH)	108.6705	1.918	2	108.6705	3.680	2	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6,6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	109.3520	0.276	5	109.3520	0.076	5	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	108.0958	1.758	4	108.0958	3.089	4	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	109.4830	0.643	2	109.4830	0.414	2	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	108.9121	0.472	12	108.9121	0.223	12	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	108.8697	0.192	4	108.8697	0.037	4	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	109.0735	0.524	22	109.0735	0.274	22	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6])(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6])(H)2	H(CN[6]CH)	109.0978	0.130	6	109.0978	0.017	6	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	H(CN[6]CH)	108.5242	0.712	65	108.5242	0.507	65	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	109.0603	0.564	55	109.0603	0.318	55	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(ON[5])(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(ON[5])(H)2	H(CN[6]CH)	108.5770	0.000	1	108.5770	0.000	1	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OP)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OP)(H)2	H(CN[6]CH)	109.1305	0.070	2	109.1305	0.005	2	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	109.0832	0.362	6	109.0832	0.131	6	108.8484	0.476	186	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC)(H)2	H(CN[6]CH)	109.3920	0.000	1	109.3920	0.000	1	108.9810	1.875	13	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC[6a])(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC[6a])(H)2	H(CN[6]CH)	109.1105	2.023	6	109.1105	4.092	6	108.9810	1.875	13	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SH)(H)2	H(CN[6]CH)	109.3160	0.030	2	109.3160	0.001	2	108.9810	1.875	13	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SRe)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SRe)(H)2	H(CN[6]CH)	108.5165	0.478	4	108.5165	0.228	4	108.9810	1.875	13	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CN)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CN)(H)2	H(CN[6a]CH)	110.6374	2.143	8	110.6374	4.594	8	110.6374	4.594	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NC)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NC)(H)2	H(CN[6a]CH)	109.0380	0.296	4	109.0380	0.088	4	109.0380	0.088	4	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC)(H)2	H(CN[6a]CH)	108.8560	0.065	2	108.8560	0.004	2	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC[6a])(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC[6a])(H)2	H(CN[6a]CH)	109.3050	0.038	3	109.3050	0.001	3	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C(CN[6a]HH)(OH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C(CN[6a]HH)(OH)(H)2	H(CN[6a]CH)	108.7690	0.000	1	108.7690	0.000	1	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	C(CN[6a]HH)(OC)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	C(CN[6a]HH)(OC)(H)2	H(CN[6a]CH)	111.4765	2.029	2	111.4765	4.116	2	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC)(H)2	H(CN[6a]CH)	109.6696	1.696	18	109.6696	2.875	18	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC[6])(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC[6])(H)2	H(CN[6a]CH)	109.4017	0.294	6	109.4017	0.087	6	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC[6a])(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OC[6a])(H)2	H(CN[6a]CH)	109.1718	0.047	4	109.1718	0.002	4	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHO)(H)2	C(CN[6a]HH)(OH)(H)2	H(CN[6a]CH)	108.8258	0.269	12	108.8258	0.073	12	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a]N[6a])(CHHO)(H)2	C(CN[6a]HH)(OH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	C(CN[6a]HH)(OH)(H)2	H(CN[6a]CH)	108.9718	0.356	4	108.9718	0.126	4	109.3518	1.379	52	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	O[3]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(O[3]C[3]H[3])(CHHO)(H)2	C(CO[3]HH)(OC[6])(H)2	H(CO[3]CH)	C(O[3]C[3]H[3])(CHHO)(H)2	C(CO[3]HH)(OC[6])(H)2	H(CO[3]CH)	104.9300	4.548	2	104.9300	20.685	2	104.9300	20.685	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]H)(CHHO)(H)2	C(CHHP)(OH)(H)2	H(CCHP)	C(PC[6a]H)(CHHO)(H)2	C(CHHP)(OH)(H)2	H(CCHP)	108.5790	0.040	2	108.5790	0.002	2	108.5790	0.002	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(SC[6a]Fe)(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	C(SC[6a]Fe)(CCHH)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	108.9335	0.045	2	108.9335	0.002	2	108.9335	0.002	2	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[6a]Cu)(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(SC[6a]Cu)(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.8768	0.221	4	108.8768	0.049	4	109.2175	0.308	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[6a]O)(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(SC[6a]O)(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.8990	0.034	2	109.8990	0.001	2	109.2175	0.308	6	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SAgMo)(CHHS)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	C(SAgMo)(CHHS)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	109.5360	0.041	2	109.5360	0.002	2	109.1339	1.037	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SAlCu)(CHHS)(H)2	C(CHHS)(SAl)(H)2	H(CCHS)	C(SAlCu)(CHHS)(H)2	C(CHHS)(SAl)(H)2	H(CCHS)	109.2940	0.308	4	109.2940	0.095	4	109.1339	1.037	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	109.2630	0.535	4	109.2630	0.286	4	109.1339	1.037	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SCuMo)(CHHS)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	C(SCuMo)(CHHS)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	110.0077	0.189	3	110.0077	0.036	3	109.1339	1.037	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SCuSn)(CHHS)(H)2	C(CHHS)(SSn)(H)2	H(CCHS)	C(SCuSn)(CHHS)(H)2	C(CHHS)(SSn)(H)2	H(CCHS)	106.8430	0.141	2	106.8430	0.020	2	109.1339	1.037	15	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SePtC)(CHHO)(H)2	C(CSeHH)(OC)(H)2	H(CSeCH)	C(SePtC)(CHHO)(H)2	C(CSeHH)(OC)(H)2	H(CSeCH)	109.8852	2.005	8	109.8852	4.021	8	109.8852	4.021	8	109.0675	0.996	1793	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-2:C-2:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CN)2(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CN)2(H)	H(CCCH)	109.3055	0.025	2	109.3055	0.001	2	109.3055	0.001	2	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CC[5a]HH)(CC)(OC)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CC[5a]HH)(CC)(OC)(H)	H(CC[5a]CH)	109.1100	0.006	2	109.1100	0.000	2	109.1100	0.000	2	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN)2(H)	H(CC[6a]CH)	109.1835	0.006	2	109.1835	0.000	2	109.1835	0.000	2	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(OC[6a])(CC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(OC[6a])(CC)(H)	H(CC[6a]CH)	108.0750	0.451	2	108.0750	0.204	2	108.0750	0.204	2	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CHOO)(H)2	C(CC[6a]HH)(OC)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHOO)(H)2	C(CC[6a]HH)(OC)2(H)	H(CC[6a]CH)	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(NC[3,6]C)(CHOO)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	C(NC[3,6]C)(CHOO)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	96.1031	56.331	2	96.1031	3173.153	2	96.1031	3173.153	2	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	H(CN[5]CH)	109.1855	0.008	2	109.1855	0.000	2	109.2636	0.028	7	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	H(CN[5]CH)	109.3798	0.048	4	109.3798	0.002	4	109.2636	0.028	7	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(N[5]C[5]2)(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	H(CN[5]CH)	C(N[5]C[5]2)(CHOO)(H)2	C(CN[5]HH)(OC)2(H)	H(CN[5]CH)	108.9550	0.000	1	108.9550	0.000	1	109.2636	0.028	7	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(N[6]C[6,6]C[6])(CHOO)(H)2	C(CN[6]HH)(OC)2(H)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHOO)(H)2	C(CN[6]HH)(OC)2(H)	H(CN[6]CH)	109.2430	0.008	2	109.2430	0.000	2	109.2430	0.000	2	107.8184	183.215	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-2:C-3:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CCHN)(H)2	C(CC[5]HH)(NP[5])(COO)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	C(CC[5]HH)(NP[5])(COO)(H)	H(CC[5]CH)	106.6590	2.902	2	106.6590	8.421	2	106.6590	8.421	2	108.3538	1.866	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHO)(H)2	C(CC[5a]HH)(ON[6])(CHO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	C(CC[5a]HH)(ON[6])(CHO)(H)	H(CC[5a]CH)	109.0500	0.004	2	109.0500	0.000	2	109.0500	0.000	2	108.3538	1.866	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[5])(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[5])(CNO)(H)	H(CC[6a]CH)	109.2520	0.004	2	109.2520	0.000	2	109.2520	0.000	2	108.3538	1.866	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(OC[6])(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(OC[6])(CCH)(H)	H(CC[6a]CH)	108.4040	0.104	4	108.4040	0.011	4	108.4040	0.011	4	108.3538	1.866	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:4:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:C-4:H-1:	C-4:	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NC[6a])(CH3)(H)	H(CC[6]CH)	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NC[6a])(CH3)(H)	H(CC[6]CH)	106.1735	1.727	2	106.1735	2.984	2	106.1735	2.984	2	108.6930	1.674	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[5])(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[5])(CHHO)(H)	H(CC[6a]CH)	108.9290	0.038	2	108.9290	0.001	2	108.9290	0.001	2	108.6930	1.674	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CN[5a]HH)(OC[6a])(CC3)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CN[5a]HH)(OC[6a])(CC3)(H)	H(CN[5a]CH)	109.2335	0.029	4	109.2335	0.001	4	109.2460	0.001	6	108.6930	1.674	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(OC[6a])(CHHO)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(OC[6a])(CHHO)(H)	H(CN[5a]CH)	109.2710	0.021	2	109.2710	0.000	2	109.2460	0.001	6	108.6930	1.674	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(N[5a]N[5a]2)(CSeCH)(H)2	C(CN[5a]HH)(SeC[6a])(CC3)(H)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CSeCH)(H)2	C(CN[5a]HH)(SeC[6a])(CC3)(H)	H(CN[5a]CH)	109.3175	0.013	2	109.3175	0.000	2	109.3175	0.000	2	108.6930	1.674	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:2:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCOO)(H)2	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCOO)(H)2	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	H(CC[6a]CH)	108.8260	0.006	2	108.8260	0.000	2	108.8260	0.000	2	108.8260	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	B-3:C-4:H-1:H-1:	C-4:B-3:H-1:H-1:	C-4:	C(BC[6a]2)(CBHH)(H)2	C(CBHH)(BCN)(H)2	H(CBCH)	C(BC[6a]2)(CBHH)(H)2	C(CBHH)(BCN)(H)2	H(CBCH)	110.8310	0.180	4	110.8310	0.033	4	110.8310	0.033	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	B[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(B[5]C[5]O[5])(CCHH)(H)2	C(CB[5]HH)(COO)(H)2	H(CB[5]CH)	C(B[5]C[5]O[5])(CCHH)(H)2	C(CB[5]HH)(COO)(H)2	H(CB[5]CH)	110.0730	0.878	2	110.0730	0.771	2	110.0730	0.771	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5,5,6]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5,5,6]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.9030	0.065	2	108.9030	0.004	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.8953	0.794	3	108.8953	0.630	3	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.5575	0.081	2	108.5575	0.007	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	113.6765	6.717	4	113.6765	45.117	4	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]H)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[5]H)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	109.1125	0.047	2	109.1125	0.002	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.4635	0.011	2	108.4635	0.000	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.0305	0.040	2	109.0305	0.002	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.9015	0.268	10	108.9015	0.072	10	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.9117	0.098	4	108.9117	0.010	4	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.9875	0.019	2	108.9875	0.000	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.4120	0.035	2	108.4120	0.001	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.8423	0.012	3	109.8423	0.000	3	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.4660	0.014	2	108.4660	0.000	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.8054	0.799	5	108.8054	0.639	5	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.8440	0.028	2	108.8440	0.001	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.7965	0.057	2	108.7965	0.003	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.3915	0.319	2	109.3915	0.102	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.6340	0.000	1	108.6340	0.000	1	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.6570	0.039	3	108.6570	0.002	3	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.6710	0.014	2	109.6710	0.000	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.7148	0.288	5	108.7148	0.083	5	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	110.0475	2.246	2	110.0475	5.047	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.7025	0.019	4	108.7025	0.000	4	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.2635	0.297	8	109.2635	0.088	8	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0861	0.201	14	109.0861	0.040	14	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	110.3320	0.489	2	110.3320	0.239	2	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.2223	0.881	4	109.2223	0.777	4	109.2170	2.589	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[4]H)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[4]H)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.5842	0.208	4	108.5842	0.043	4	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]C)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[5]C)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.5602	0.206	4	108.5602	0.042	4	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]H)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[5]H)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.2123	0.215	3	109.2123	0.046	3	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]H)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[5]H)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.6695	0.023	2	108.6695	0.001	2	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]O)(CHHN)(H)2	C(CCHH)(NCO)(H)2	H(CCCH)	C(CC[5]O)(CHHN)(H)2	C(CCHH)(NCO)(H)2	H(CCCH)	109.5195	0.015	2	109.5195	0.000	2	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]Si)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[5]Si)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.3720	0.010	2	108.3720	0.000	2	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]C)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[5a]C)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.9745	0.035	2	108.9745	0.001	2	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]O)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[5a]O)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.6125	0.695	8	108.6125	0.484	8	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]C)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[6a]C)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.7345	0.008	2	108.7345	0.000	2	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.3160	0.059	4	108.3160	0.003	4	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]O)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CN[6]O)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.8265	0.050	4	109.8265	0.003	4	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]O)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CN[6]O)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.5885	2.263	2	109.5885	5.123	2	108.8565	0.470	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[4]B[4]C[4])(CHHP)(H)2	C(CC[4]HH)(PC[6a]2)(H)2	H(CC[4]CH)	C(C[4]B[4]C[4])(CHHP)(H)2	C(CC[4]HH)(PC[6a]2)(H)2	H(CC[4]CH)	109.4675	0.477	4	109.4675	0.228	4	109.4675	0.228	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	109.1043	0.389	3	109.1043	0.151	3	108.8219	1.686	17	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.7232	0.178	6	108.7232	0.032	6	108.8219	1.686	17	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	109.2512	2.835	4	109.2512	8.040	4	108.8219	1.686	17	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	108.3287	0.363	4	108.3287	0.132	4	108.8219	1.686	17	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	108.6165	0.015	2	108.6165	0.000	2	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	108.3440	0.092	2	108.3440	0.008	2	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	108.6520	0.030	2	108.6520	0.001	2	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	109.1662	0.159	5	109.1662	0.025	5	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCuC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCuC)(H)2	H(CC[5]CH)	107.3383	2.746	4	107.3383	7.540	4	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NFeC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NFeC)(H)2	H(CC[5]CH)	108.2912	1.728	48	108.2912	2.987	48	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NMnC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NMnC)(H)2	H(CC[5]CH)	108.5415	0.030	2	108.5415	0.001	2	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NNiC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NNiC)(H)2	H(CC[5]CH)	109.1012	0.014	4	109.1012	0.000	4	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NReC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NReC)(H)2	H(CC[5]CH)	108.2530	0.025	2	108.2530	0.001	2	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	108.7255	0.009	2	108.7255	0.000	2	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCuC)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCuC)(H)2	H(CC[5]CH)	109.0010	0.403	10	109.0010	0.162	10	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NZnC)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NZnC)(H)2	H(CC[5]CH)	108.2830	0.023	2	108.2830	0.001	2	108.4519	2.125	85	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[5]B[5]C[5])(CHHP)(H)2	C(CC[5]HH)(PC[6a]2)(H)2	H(CC[5]CH)	C(C[5]B[5]C[5])(CHHP)(H)2	C(CC[5]HH)(PC[6a]2)(H)2	H(CC[5]CH)	109.0370	0.006	2	109.0370	0.000	2	108.7032	0.149	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[5]C[5]2)(CHHP)(H)2	C(CC[5]HH)(PC[6a]2)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CHHP)(H)2	C(CC[5]HH)(PC[6a]2)(H)2	H(CC[5]CH)	108.3695	0.021	2	108.3695	0.000	2	108.7032	0.149	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5]C[5]2)(CHHS)(H)2	C(CC[5]HH)(SZnC)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CHHS)(H)2	C(CC[5]HH)(SZnC)(H)2	H(CC[5]CH)	108.4820	0.156	4	108.4820	0.024	4	108.3079	0.636	17	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHS)(H)2	C(CC[5]HH)(SNiC)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHS)(H)2	C(CC[5]HH)(SNiC)(H)2	H(CC[5]CH)	107.6428	1.062	6	107.6428	1.127	6	108.3079	0.636	17	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHS)(H)2	C(CC[5]HH)(SRuC)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHS)(H)2	C(CC[5]HH)(SRuC)(H)2	H(CC[5]CH)	108.7786	0.151	7	108.7786	0.023	7	108.3079	0.636	17	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	C(CC[5a]BrH)(CC[6a]O)(Br)(H)	H(CC[5a]BrC)	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	C(CC[5a]BrH)(CC[6a]O)(Br)(H)	H(CC[5a]BrC)	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[5a]C[5a]O[5a])(CCFF)(H)2	C(CC[5a]HH)(COO)(F)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCFF)(H)2	C(CC[5a]HH)(COO)(F)2	H(CC[5a]CH)	108.8860	0.024	2	108.8860	0.001	2	108.8860	0.001	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	109.2201	0.338	27	109.2201	0.114	27	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	108.7020	0.010	2	108.7020	0.000	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	108.8640	0.443	9	108.8640	0.196	9	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCH)(H)2	H(CC[5a]CH)	108.8290	0.023	2	108.8290	0.001	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	108.6312	0.339	10	108.6312	0.115	10	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCH)(H)2	H(CC[5a]CH)	108.2100	0.031	2	108.2100	0.001	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	108.7115	0.166	4	108.7115	0.028	4	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	109.0492	0.559	10	109.0492	0.313	10	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	109.1710	0.000	1	109.1710	0.000	1	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	109.4175	0.026	2	109.4175	0.001	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	108.8810	0.020	2	108.8810	0.000	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	108.9010	0.008	2	108.9010	0.000	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCO)(H)2	H(CC[5a]CH)	109.1417	0.180	3	109.1417	0.033	3	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCH)(H)2	H(CC[5a]CH)	108.8045	0.047	2	108.8045	0.002	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CNO)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CNO)(H)2	H(CC[5a]CH)	109.1545	0.013	2	109.1545	0.000	2	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(COO)(H)2	H(CC[5a]CH)	109.6005	0.939	23	109.6005	0.881	23	109.1221	0.392	103	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	107.9435	0.098	2	107.9435	0.010	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	C(CC[5a]HH)(NCC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	C(CC[5a]HH)(NCC)(H)2	H(CC[5a]CH)	109.5110	0.000	1	109.5110	0.000	1	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCC)(H)2	H(CC[5a]CH)	108.9166	0.349	27	108.9166	0.122	27	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	108.8477	0.743	36	108.8477	0.552	36	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCS)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCS)(H)2	H(CC[5a]CH)	108.8479	0.459	12	108.8479	0.211	12	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[5]H)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[5]H)(H)2	H(CC[5a]CH)	108.2458	0.062	4	108.2458	0.004	4	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[5a]S)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[5a]S)(H)2	H(CC[5a]CH)	106.6535	0.035	2	106.6535	0.001	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6a]C)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6a]C)(H)2	H(CC[5a]CH)	108.6860	0.048	2	108.6860	0.002	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6a]H)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6a]H)(H)2	H(CC[5a]CH)	108.8985	0.011	2	108.8985	0.000	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCdC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCdC)(H)2	H(CC[5a]CH)	109.3340	0.033	2	109.3340	0.001	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NNiC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NNiC)(H)2	H(CC[5a]CH)	109.5495	0.083	2	109.5495	0.007	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NPdC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NPdC)(H)2	H(CC[5a]CH)	109.0090	0.025	2	109.0090	0.001	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NZnC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NZnC)(H)2	H(CC[5a]CH)	109.6865	1.005	2	109.6865	1.010	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NCC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NCC)(H)2	H(CC[5a]CH)	108.6253	0.484	6	108.6253	0.235	6	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	108.9918	2.158	14	108.9918	4.659	14	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NCV)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NCV)(H)2	H(CC[5a]CH)	107.4490	5.346	2	107.4490	28.577	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6a]C)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6a]C)(H)2	H(CC[5a]CH)	109.2120	0.000	1	109.2120	0.000	1	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NFeC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NFeC)(H)2	H(CC[5a]CH)	108.2125	2.170	2	108.2125	4.709	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NHH)(H)2	H(CC[5a]CH)	109.8970	0.887	2	109.8970	0.786	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NOO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NOO)(H)2	H(CC[5a]CH)	109.6732	0.008	4	109.6732	0.000	4	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6]H)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C(CC[5a]HH)(NC[6]H)(H)2	H(CC[5a]CH)	109.3530	0.116	5	109.3530	0.013	5	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CHHN)(H)2	C(CC[5a]HH)(NCH)(H)2	H(CC[5a]CH)	109.1008	0.186	4	109.1008	0.035	4	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CHHN)(H)2	C(CC[5a]HH)(NCuC)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CHHN)(H)2	C(CC[5a]HH)(NCuC)(H)2	H(CC[5a]CH)	108.6185	0.025	2	108.6185	0.001	2	108.8733	1.095	138	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHS)(H)2	C(CC[5a]HH)(SPdC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHS)(H)2	C(CC[5a]HH)(SPdC)(H)2	H(CC[5a]CH)	109.2390	0.047	2	109.2390	0.002	2	108.9567	0.389	6	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CHHS)(H)2	C(CC[5a]HH)(SCuC)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CHHS)(H)2	C(CC[5a]HH)(SCuC)(H)2	H(CC[5a]CH)	108.8155	0.754	4	108.8155	0.568	4	108.9567	0.389	6	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	109.3060	0.027	2	109.3060	0.001	2	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	109.0705	0.510	2	109.0705	0.260	2	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.9770	0.010	2	108.9770	0.000	2	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	108.6190	0.017	2	108.6190	0.000	2	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.5867	0.484	9	108.5867	0.234	9	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	109.0837	0.305	10	109.0837	0.093	10	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]H)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]H)(H)2	H(CC[6]CH)	109.4435	3.546	2	109.4435	12.575	2	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]O)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CC[6]O)(H)2	H(CC[6]CH)	108.7625	0.032	2	108.7625	0.001	2	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.7403	0.079	3	108.7403	0.006	3	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.6420	0.000	1	108.6420	0.000	1	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CRuH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CRuH)(H)2	H(CC[6]CH)	108.4682	0.490	4	108.4682	0.240	4	108.8515	0.513	39	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	108.7853	0.574	4	108.7853	0.330	4	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCC)(H)2	H(CC[6]CH)	108.8433	0.575	7	108.8433	0.331	7	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	109.4549	0.368	15	109.4549	0.136	15	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCO)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCO)(H)2	H(CC[6]CH)	109.3855	0.037	2	109.3855	0.001	2	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[4]H)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[4]H)(H)2	H(CC[6]CH)	109.9485	0.015	2	109.9485	0.000	2	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[5]Fe)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[5]Fe)(H)2	H(CC[6]CH)	108.8620	0.098	4	108.8620	0.010	4	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[6]H)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NC[6]H)(H)2	H(CC[6]CH)	108.5658	1.086	4	108.5658	1.178	4	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCaC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCaC)(H)2	H(CC[6]CH)	108.8105	0.083	4	108.8105	0.007	4	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoC)(H)2	H(CC[6]CH)	108.8637	0.424	23	108.8637	0.180	23	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuC)(H)2	H(CC[6]CH)	108.8010	0.102	8	108.8010	0.010	8	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuN)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuN)(H)2	H(CC[6]CH)	108.8575	0.005	2	108.8575	0.000	2	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeC)(H)2	H(CC[6]CH)	108.8431	0.346	20	108.8431	0.120	20	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NIrS)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NIrS)(H)2	H(CC[6]CH)	109.1595	0.070	4	109.1595	0.005	4	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMgC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMgC)(H)2	H(CC[6]CH)	108.7248	0.278	6	108.7248	0.077	6	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnC)(H)2	H(CC[6]CH)	108.6816	0.695	5	108.6816	0.483	5	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiC)(H)2	H(CC[6]CH)	108.8416	0.204	13	108.8416	0.042	13	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReC)(H)2	H(CC[6]CH)	108.5135	0.011	2	108.5135	0.000	2	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRhC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRhC)(H)2	H(CC[6]CH)	108.1900	0.958	4	108.1900	0.918	4	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NSrC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NSrC)(H)2	H(CC[6]CH)	108.9345	0.012	2	108.9345	0.000	2	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnC)(H)2	H(CC[6]CH)	108.6700	0.071	4	108.6700	0.005	4	108.8964	0.236	135	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCdH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCdH)(H)2	H(CC[6]CH)	108.8063	0.029	3	108.8063	0.001	3	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCoH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCoH)(H)2	H(CC[6]CH)	108.6689	0.177	9	108.6689	0.031	9	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCr2)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCr2)(H)2	H(CC[6]CH)	108.7980	0.020	2	108.7980	0.000	2	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCu2)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCu2)(H)2	H(CC[6]CH)	109.0175	0.019	2	109.0175	0.000	2	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCuH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OCuH)(H)2	H(CC[6]CH)	109.1787	0.068	4	109.1787	0.005	4	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OFe2)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OFe2)(H)2	H(CC[6]CH)	108.4015	0.005	2	108.4015	0.000	2	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OMnH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(OMnH)(H)2	H(CC[6]CH)	108.5845	0.039	2	108.5845	0.002	2	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi2)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi2)(H)2	H(CC[6]CH)	108.7993	0.256	8	108.7993	0.065	8	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONiH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONiH)(H)2	H(CC[6]CH)	108.7634	0.188	15	108.7634	0.035	15	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ORu2)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ORu2)(H)2	H(CC[6]CH)	109.0186	0.038	5	109.0186	0.001	5	108.8018	0.053	52	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCuC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCuC)(H)2	H(CC[6]CH)	108.9076	0.242	10	108.9076	0.058	10	108.5450	17.626	26	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SNiC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SNiC)(H)2	H(CC[6]CH)	105.6009	11.516	4	105.6009	132.612	4	108.5450	17.626	26	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SReC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SReC)(H)2	H(CC[6]CH)	109.1020	0.014	2	109.1020	0.000	2	108.5450	17.626	26	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SRuC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SRuC)(H)2	H(CC[6]CH)	109.2487	0.286	10	109.2487	0.082	10	108.5450	17.626	26	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CCO)(Br)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CCO)(Br)(H)	H(CC[6a]BrC)	108.5070	0.000	1	108.5070	0.000	1	108.6784	0.782	21	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CC[5a]O)(Br)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CC[5a]O)(Br)(H)	H(CC[6a]BrC)	108.8537	0.075	3	108.8537	0.006	3	108.6784	0.782	21	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	H(CC[6a]BrC)	108.8803	0.313	15	108.8803	0.098	15	108.6784	0.782	21	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CNO)(Br)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CNO)(Br)(H)	H(CC[6a]BrC)	108.9610	0.000	1	108.9610	0.000	1	108.6784	0.782	21	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(COO)(Br)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(COO)(Br)(H)	H(CC[6a]BrC)	105.0130	0.000	1	105.0130	0.000	1	108.6784	0.782	21	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(Br)(H)	C(CC[6a]BrH)(CNO)(Cl)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CClCH)(Br)(H)	C(CC[6a]BrH)(CNO)(Cl)(H)	H(CC[6a]BrC)	108.7007	0.028	3	108.7007	0.001	3	108.7007	0.001	3	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C(CC[6a]BrH)(CN[5]O)(H)2	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C(CC[6a]BrH)(CN[5]O)(H)2	H(CC[6a]BrC)	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C(CC[6a]ClH)(CCO)(Cl)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C(CC[6a]ClH)(CCO)(Cl)(H)	H(CC[6a]ClC)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	C(CC[6a]ClH)(COO)(H)2	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	C(CC[6a]ClH)(COO)(H)2	H(CC[6a]ClC)	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	C(CC[6a]ClH)(NHS)(H)2	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	C(CC[6a]ClH)(NHS)(H)2	H(CC[6a]ClC)	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:F-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(F)(H)	C(CC[6a]FH)(NHS)(H)2	H(CC[6a]CF)	C(C[6a]C[6a]2)(CHHN)(F)(H)	C(CC[6a]FH)(NHS)(H)2	H(CC[6a]CF)	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CCO)(Br)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CCO)(Br)(H)	H(CC[6a]CH)	109.5295	0.013	2	109.5295	0.000	2	109.4180	0.037	3	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CNO)(Br)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CNO)(Br)(H)	H(CC[6a]CH)	109.1950	0.000	1	109.1950	0.000	1	109.4180	0.037	3	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(H)2	C(CC[6a]HH)(COO)(F)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFF)(H)2	C(CC[6a]HH)(COO)(F)2	H(CC[6a]CH)	109.0135	0.005	2	109.0135	0.000	2	109.0135	0.000	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCO)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCO)(H)2	H(CC[6a]CH)	109.0880	0.058	2	109.0880	0.003	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	109.0690	0.006	2	109.0690	0.000	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CNO)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CNO)(H)2	H(CC[6a]CH)	108.3560	0.000	1	108.3560	0.000	1	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCO)(H)2	H(CC[6a]CH)	109.1163	0.113	3	109.1163	0.013	3	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(H)2	H(CC[6a]CH)	108.8545	0.008	2	108.8545	0.000	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	108.2905	0.037	2	108.2905	0.001	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCC)(H)2	H(CC[6a]CH)	108.8031	0.856	9	108.8031	0.732	9	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCH)(H)2	H(CC[6a]CH)	108.7530	0.442	9	108.7530	0.196	9	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCN)(H)2	H(CC[6a]CH)	108.7782	1.001	19	108.7782	1.003	19	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCO)(H)2	H(CC[6a]CH)	109.2481	0.657	55	109.2481	0.432	55	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCP)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCP)(H)2	H(CC[6a]CH)	109.0765	0.021	2	109.0765	0.000	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[4]Cl)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[4]Cl)(H)2	H(CC[6a]CH)	107.8260	1.505	2	107.8260	2.264	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]O)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]O)(H)2	H(CC[6a]CH)	109.0593	0.447	7	109.0593	0.200	7	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5a]O)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5a]O)(H)2	H(CC[6a]CH)	108.8267	0.343	9	108.8267	0.118	9	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]O)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]O)(H)2	H(CC[6a]CH)	108.5944	0.573	10	108.5944	0.328	10	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]H)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]H)(H)2	H(CC[6a]CH)	104.1485	1.333	2	104.1485	1.777	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(H)2	H(CC[6a]CH)	108.9998	0.574	26	108.9998	0.329	26	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHH)(H)2	H(CC[6a]CH)	109.3180	0.021	2	109.3180	0.000	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CNO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CNO)(H)2	H(CC[6a]CH)	108.6508	0.633	33	108.6508	0.401	33	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]O)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]O)(H)2	H(CC[6a]CH)	108.9895	0.186	4	108.9895	0.034	4	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]O)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]O)(H)2	H(CC[6a]CH)	109.3420	0.010	2	109.3420	0.000	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	108.9141	1.237	95	108.9141	1.530	95	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CPdO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CPdO)(H)2	H(CC[6a]CH)	109.3735	0.021	2	109.3735	0.000	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CNO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CNO)(H)2	H(CC[6a]CH)	108.6445	0.026	2	108.6445	0.001	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(COO)(H)2	H(CC[6a]CH)	108.6735	0.019	2	108.6735	0.000	2	108.8935	0.937	304	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:N-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(H)(N)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(H)(N)	H(CC[6a]CH)	108.6230	0.520	2	108.6230	0.271	2	108.6230	0.271	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	106.9690	3.173	2	106.9690	10.071	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NHS)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NHS)(H)2	H(CC[6a]CH)	109.6620	0.066	2	109.6620	0.004	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	109.5325	0.006	2	109.5325	0.000	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	108.9310	0.777	4	108.9310	0.603	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	112.7465	0.620	2	112.7465	0.385	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCH)(H)2	H(CC[6a]CH)	109.2393	0.421	30	109.2393	0.177	30	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NB[5]2)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NB[5]2)(H)2	H(CC[6a]CH)	108.1155	0.060	2	108.1155	0.004	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	108.5955	0.550	61	108.5955	0.302	61	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCH)(H)2	H(CC[6a]CH)	108.9629	0.962	113	108.9629	0.926	113	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCS)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCS)(H)2	H(CC[6a]CH)	109.0967	0.988	15	109.0967	0.977	15	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[3]C)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[3]C)(H)2	H(CC[6a]CH)	109.7490	0.027	4	109.7490	0.001	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[5]C)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[5]C)(H)2	H(CC[6a]CH)	107.7638	0.849	4	107.7638	0.722	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[5a]C)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[5a]C)(H)2	H(CC[6a]CH)	108.0240	4.459	4	108.0240	19.884	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[5a]H)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[5a]H)(H)2	H(CC[6a]CH)	109.2825	0.023	2	109.2825	0.001	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[6]H)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[6]H)(H)2	H(CC[6a]CH)	108.7964	0.208	5	108.7964	0.043	5	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[6a]C)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[6a]C)(H)2	H(CC[6a]CH)	108.2940	0.008	2	108.2940	0.000	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[6a]H)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC[6a]H)(H)2	H(CC[6a]CH)	108.8990	1.099	30	108.8990	1.207	30	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCoC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCoC)(H)2	H(CC[6a]CH)	109.0443	0.116	4	109.0443	0.013	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCu2)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCu2)(H)2	H(CC[6a]CH)	109.6230	0.079	2	109.6230	0.006	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCuC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCuC)(H)2	H(CC[6a]CH)	108.8810	0.028	8	108.8810	0.001	8	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NHS)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NHS)(H)2	H(CC[6a]CH)	108.8573	0.169	3	108.8573	0.029	3	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NIrC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NIrC)(H)2	H(CC[6a]CH)	109.3640	0.017	2	109.3640	0.000	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NMgC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NMgC)(H)2	H(CC[6a]CH)	109.5235	0.319	4	109.5235	0.102	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdC)(H)2	H(CC[6a]CH)	109.4065	0.021	2	109.4065	0.000	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdH)(H)2	H(CC[6a]CH)	108.6942	0.289	4	108.6942	0.084	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdS)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdS)(H)2	H(CC[6a]CH)	107.9880	0.023	2	107.9880	0.001	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NRuN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NRuN)(H)2	H(CC[6a]CH)	109.2611	0.216	8	109.2611	0.046	8	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NZnC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NZnC)(H)2	H(CC[6a]CH)	109.1105	0.191	4	109.1105	0.036	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCC)(H)2	H(CC[6a]CH)	109.5644	0.578	10	109.5644	0.334	10	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCH)(H)2	H(CC[6a]CH)	108.7338	0.601	32	108.7338	0.361	32	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCO)(H)2	H(CC[6a]CH)	109.1074	0.501	9	109.1074	0.251	9	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[4a]H)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[4a]H)(H)2	H(CC[6a]CH)	109.3880	0.025	2	109.3880	0.001	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[6]H)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[6]H)(H)2	H(CC[6a]CH)	109.0515	0.496	8	109.0515	0.246	8	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[6a]H)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[6a]H)(H)2	H(CC[6a]CH)	109.2985	0.468	4	109.2985	0.219	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[6a]Pd)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NC[6a]Pd)(H)2	H(CC[6a]CH)	109.9048	0.104	4	109.9048	0.011	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCoC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCoC)(H)2	H(CC[6a]CH)	109.4775	0.023	2	109.4775	0.001	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCuC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCuC)(H)2	H(CC[6a]CH)	109.0636	0.468	10	109.0636	0.219	10	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NHS)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NHS)(H)2	H(CC[6a]CH)	109.0205	0.222	10	109.0205	0.049	10	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NMnC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NMnC)(H)2	H(CC[6a]CH)	108.2123	1.304	4	108.2123	1.701	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NNiC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NNiC)(H)2	H(CC[6a]CH)	109.3458	0.122	4	109.3458	0.015	4	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NOsC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NOsC)(H)2	H(CC[6a]CH)	109.0995	0.047	2	109.0995	0.002	2	108.9534	0.843	428	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OCrC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHO)(H)2	C(CC[6a]HH)(OCrC)(H)2	H(CC[6a]CH)	108.8267	0.305	9	108.8267	0.093	9	108.8267	0.093	9	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SAu2)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SAu2)(H)2	H(CC[6a]CH)	108.3910	0.140	2	108.3910	0.020	2	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCC)(H)2	H(CC[6a]CH)	108.7570	0.024	2	108.7570	0.001	2	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCO)(H)2	H(CC[6a]CH)	109.1287	0.401	7	109.1287	0.160	7	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCuC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SCuC)(H)2	H(CC[6a]CH)	109.8585	0.033	2	109.8585	0.001	2	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SIr2)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SIr2)(H)2	H(CC[6a]CH)	108.3432	0.444	5	108.3432	0.198	5	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SNO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SNO)(H)2	H(CC[6a]CH)	108.8325	0.011	2	108.8325	0.000	2	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SNi2)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SNi2)(H)2	H(CC[6a]CH)	108.8481	0.490	38	108.8481	0.240	38	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SPd2)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SPd2)(H)2	H(CC[6a]CH)	108.7816	0.262	7	108.7816	0.069	7	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SRh2)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SRh2)(H)2	H(CC[6a]CH)	109.2648	0.368	4	109.2648	0.135	4	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHS)(H)2	C(CC[6a]HH)(SRuC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHS)(H)2	C(CC[6a]HH)(SRuC)(H)2	H(CC[6a]CH)	110.1440	0.021	2	110.1440	0.000	2	108.9062	0.280	71	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	C[6a]-3:C-4:H-1:O-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)(O)	C(CC[6a]HO)(NOO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(H)(O)	C(CC[6a]HO)(NOO)(H)2	H(CC[6a]CO)	109.9945	0.947	2	109.9945	0.896	2	109.9945	0.896	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	In-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(InClC)(CCHH)(H)2	C(CInHH)(CCH)(H)2	H(CInCH)	C(InClC)(CCHH)(H)2	C(CInHH)(CCH)(H)2	H(CInCH)	106.3745	3.084	2	106.3745	9.509	2	106.3745	9.509	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	106.2695	0.630	2	106.2695	0.397	2	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(NC[6]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	108.8520	0.024	2	108.8520	0.001	2	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	108.7155	0.008	2	108.7155	0.000	2	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.8410	0.249	8	108.8410	0.062	8	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.0545	0.019	2	109.0545	0.000	2	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	108.7385	0.064	2	108.7385	0.004	2	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.5487	0.237	4	108.5487	0.056	4	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	108.9620	0.000	1	108.9620	0.000	1	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.7482	0.504	20	109.7482	0.254	20	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCO)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CCO)(H)2	H(CCHN)	109.1990	0.000	1	109.1990	0.000	1	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.2591	0.281	17	109.2591	0.079	17	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]N)(CCHH)(H)2	C(CHHN)(CCN)(H)2	H(CCHN)	C(NC[6a]N)(CCHH)(H)2	C(CHHN)(CCN)(H)2	H(CCHN)	109.3155	0.019	2	109.3155	0.000	2	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	108.5490	0.004	2	108.5490	0.000	2	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	110.0654	1.584	8	110.0654	2.508	8	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NP[5]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(NP[5]C)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	110.0572	5.658	4	110.0572	32.012	4	109.2882	2.067	77	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[3]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[3]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3577	0.045	4	109.3577	0.002	4	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[4a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NC[4a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.0105	0.029	2	109.0105	0.001	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3408	0.123	6	109.3408	0.015	6	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[5]Co)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[5]Co)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5850	0.000	1	109.5850	0.000	1	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[5]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.8065	0.030	2	109.8065	0.001	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[5a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NC[5a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.1085	0.043	2	109.1085	0.002	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[5a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[5a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.9125	0.019	2	108.9125	0.000	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NC[6]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.3523	0.185	3	109.3523	0.034	3	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.6696	0.471	24	109.6696	0.222	24	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.6595	0.019	2	109.6595	0.000	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6]S)(CHHN)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	C(NC[6]S)(CHHN)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	108.9247	0.222	3	108.9247	0.049	3	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.9799	0.571	13	108.9799	0.326	13	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.1194	0.220	10	109.1194	0.048	10	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5683	0.799	55	109.5683	0.638	55	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.1235	0.231	24	109.1235	0.053	24	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.4412	0.544	6	109.4412	0.296	6	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NIrC)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NIrC)(H)2	H(CCHN)	109.4985	0.009	2	109.4985	0.000	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NOsC)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NOsC)(H)2	H(CCHN)	109.4480	0.091	4	109.4480	0.008	4	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	109.0390	0.469	4	109.0390	0.220	4	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuH)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NRuH)(H)2	H(CCHN)	109.1040	0.006	2	109.1040	0.000	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]Zn)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NC[6a]Zn)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.9955	0.204	4	108.9955	0.042	4	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NGeSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NGeSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3365	0.091	4	109.3365	0.008	4	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NSbSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NSbSi)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.0210	1.252	2	109.0210	1.566	2	109.3662	0.340	181	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OCdH)(H)2	H(CCHN)	C(NC[6]C)(CHHO)(H)2	C(CHHN)(OCdH)(H)2	H(CCHN)	108.5580	0.048	2	108.5580	0.002	2	109.2234	0.294	9	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NC[6a]Mg)(CHHO)(H)2	C(CHHN)(OMgC)(H)2	H(CCHN)	C(NC[6a]Mg)(CHHO)(H)2	C(CHHN)(OMgC)(H)2	H(CCHN)	109.1215	0.028	4	109.1215	0.001	4	109.2234	0.294	9	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NC[6a]Sn)(CHHO)(H)2	C(CHHN)(OSnC)(H)2	H(CCHN)	C(NC[6a]Sn)(CHHO)(H)2	C(CHHN)(OSnC)(H)2	H(CCHN)	109.8030	0.455	3	109.8030	0.207	3	109.2234	0.294	9	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CCH)(H)2	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CCH)(H)2	H(CN[4]CH)	108.6710	0.357	4	108.6710	0.127	4	108.6710	0.127	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	109.4885	0.013	2	109.4885	0.000	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	H(CN[5]CH)	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	H(CN[5]CH)	108.9270	0.037	2	108.9270	0.001	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrC)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrC)(H)2	H(CN[5]CH)	109.1045	0.012	2	109.1045	0.000	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CC[6]O)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CC[6]O)(H)2	H(CN[5]CH)	109.0442	0.077	6	109.0442	0.006	6	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	H(CN[5]CH)	108.7965	0.019	2	108.7965	0.000	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	108.3025	0.011	2	108.3025	0.000	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	H(CN[5]CH)	109.1475	0.009	2	109.1475	0.000	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	109.1953	0.545	23	109.1953	0.297	23	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCC)(H)2	H(CN[5]CH)	109.3313	0.035	4	109.3313	0.001	4	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	H(CN[5]CH)	109.0122	0.256	15	109.0122	0.065	15	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCO)(H)2	H(CN[5]CH)	110.2245	0.049	2	110.2245	0.002	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	H(CN[5]CH)	108.1692	0.807	15	108.1692	0.650	15	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHH)(H)2	H(CN[5]CH)	110.2700	0.651	4	110.2700	0.424	4	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	H(CN[5]CH)	108.5528	1.134	4	108.5528	1.285	4	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[5]O)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[5]O)(H)2	H(CN[5]CH)	109.3760	0.007	2	109.3760	0.000	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	109.2090	0.197	33	109.2090	0.039	33	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCH)(H)2	H(CN[5]CH)	109.2237	0.031	3	109.2237	0.001	3	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CC[6a]O)(H)2	H(CN[5]CH)	109.2514	0.238	12	109.2514	0.057	12	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	H(CN[5]CH)	108.9560	0.025	3	108.9560	0.001	3	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	109.5090	0.014	2	109.5090	0.000	2	109.0807	0.355	140	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	109.1503	0.069	6	109.1503	0.005	6	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[5]H)(H)2	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[5]H)(H)2	H(CN[5]CH)	108.6480	0.017	2	108.6480	0.000	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,5a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	108.6548	0.027	4	108.6548	0.001	4	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	109.1775	0.015	2	109.1775	0.000	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	108.8392	0.230	9	108.8392	0.053	9	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	H(CN[5]CH)	109.0290	0.044	2	109.0290	0.002	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	108.9105	0.013	2	108.9105	0.000	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	108.8036	0.396	12	108.8036	0.157	12	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	109.2707	0.189	3	109.2707	0.036	3	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	109.4313	0.067	4	109.4313	0.005	4	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	H(CN[5]CH)	109.0697	0.262	4	109.0697	0.069	4	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	H(CN[5]CH)	108.9850	0.000	1	108.9850	0.000	1	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	109.1940	0.597	90	109.1940	0.356	90	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	109.1336	0.252	63	109.1336	0.063	63	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCS)(H)2	H(CN[5]CH)	109.1175	0.069	4	109.1175	0.005	4	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[5]C)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[5]C)(H)2	H(CN[5]CH)	109.4865	0.008	2	109.4865	0.000	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6]Ta)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6]Ta)(H)2	H(CN[5]CH)	109.6425	0.043	2	109.6425	0.002	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]C)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]C)(H)2	H(CN[5]CH)	108.9075	0.012	2	108.9075	0.000	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	H(CN[5]CH)	109.0950	0.000	1	109.0950	0.000	1	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NFeC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NFeC)(H)2	H(CN[5]CH)	109.7385	0.011	2	109.7385	0.000	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NHH)(H)2	H(CN[5]CH)	109.7060	0.787	5	109.7060	0.620	5	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReC)(H)2	H(CN[5]CH)	110.6785	0.879	2	110.6785	0.773	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuC)(H)2	H(CN[5]CH)	109.4933	0.155	3	109.4933	0.024	3	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NAlC)(H)2	H(CN[5]CH)	109.0990	0.028	2	109.0990	0.001	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	109.3277	0.469	14	109.3277	0.220	14	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCH)(H)2	H(CN[5]CH)	109.5435	0.016	2	109.5435	0.000	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuC)(H)2	H(CN[5]CH)	108.5652	0.068	4	108.5652	0.005	4	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]P[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	H(CN[5]CH)	C(N[5]C[5]P[5])(CHHN)(H)2	C(CN[5]HH)(NC[6a]H)(H)2	H(CN[5]CH)	109.3785	0.028	2	109.3785	0.001	2	109.1645	0.236	251	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	H(CN[5]CH)	108.3460	0.023	2	108.3460	0.001	2	109.0585	0.156	34	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OIrC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(OIrC)(H)2	H(CN[5]CH)	109.1610	0.183	4	109.1610	0.034	4	109.0585	0.156	34	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHO)(H)2	C(CN[5]HH)(ORuC)(H)2	H(CN[5]CH)	108.9526	0.437	14	108.9526	0.191	14	109.0585	0.156	34	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCu2)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCu2)(H)2	H(CN[5]CH)	109.1165	0.009	4	109.1165	0.000	4	109.0585	0.156	34	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCuC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OCuC)(H)2	H(CN[5]CH)	108.6950	0.000	1	108.6950	0.000	1	109.0585	0.156	34	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OMnNi)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(OMnNi)(H)2	H(CN[5]CH)	109.4616	0.089	7	109.4616	0.008	7	109.0585	0.156	34	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONiH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONiH)(H)2	H(CN[5]CH)	108.9620	0.017	2	108.9620	0.000	2	109.0585	0.156	34	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PC[6a]2)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PC[6a]2)(H)2	H(CN[5]CH)	109.1788	0.150	4	109.1788	0.023	4	109.1788	0.023	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5]Pt)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SC[5]Pt)(H)2	H(CN[5]CH)	109.2905	0.040	2	109.2905	0.002	2	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SNi2)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SNi2)(H)2	H(CN[5]CH)	109.7730	0.067	4	109.7730	0.005	4	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	H(CN[5]CH)	109.4771	0.109	7	109.4771	0.012	7	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5]Ru)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SC[5]Ru)(H)2	H(CN[5]CH)	109.2290	0.014	2	109.2290	0.000	2	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNiC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNiC)(H)2	H(CN[5]CH)	108.9160	0.025	2	108.9160	0.001	2	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPd2)(H)2	H(CN[5]CH)	109.4105	0.318	8	109.4105	0.101	8	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	H(CN[5]CH)	109.6303	0.244	8	109.6303	0.059	8	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SRu2)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SRu2)(H)2	H(CN[5]CH)	109.2217	0.100	3	109.2217	0.010	3	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SPdC)(H)2	H(CN[5]CH)	109.2610	0.060	7	109.2610	0.004	7	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SReC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SReC)(H)2	H(CN[5]CH)	108.9425	0.022	2	108.9425	0.000	2	109.4001	0.079	45	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(H)2	H(CN[5]CH)	109.4982	0.026	4	109.4982	0.001	4	109.4089	0.049	7	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CSeHH)(H)2	C(CN[5]HH)(SePdC)(H)2	H(CN[5]CH)	109.2897	0.329	3	109.2897	0.108	3	109.4089	0.049	7	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:Br-1:Br-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	C(CN[5a]HH)(CC[6a]O)(Br)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CBr2C)(H)2	C(CN[5a]HH)(CC[6a]O)(Br)2	H(CN[5a]CH)	108.5365	0.039	2	108.5365	0.002	2	108.5365	0.002	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	C(CN[5a]HH)(CC[6a]O)(Br)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	C(CN[5a]HH)(CC[6a]O)(Br)(H)	H(CN[5a]CH)	109.5850	0.047	2	109.5850	0.002	2	109.5850	0.002	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	109.2798	0.241	11	109.2798	0.058	11	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	109.3805	0.036	2	109.3805	0.001	2	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	109.0545	0.021	2	109.0545	0.000	2	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	108.9848	0.093	4	108.9848	0.009	4	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	109.0660	0.385	3	109.0660	0.149	3	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	109.0910	0.021	2	109.0910	0.000	2	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	109.1168	0.110	18	109.1168	0.012	18	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCH)(H)2	H(CN[5a]CH)	109.0540	0.011	2	109.0540	0.000	2	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	109.2647	0.281	24	109.2647	0.079	24	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCH)(H)2	H(CN[5a]CH)	108.6290	0.048	2	108.6290	0.002	2	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CC[6a]N)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CC[6a]N)(H)2	H(CN[5a]CH)	109.1708	0.366	6	109.1708	0.134	6	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	109.2487	0.109	6	109.2487	0.012	6	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHH)(H)2	H(CN[5a]CH)	106.1720	0.008	2	106.1720	0.000	2	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	109.2170	0.129	3	109.2170	0.017	3	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	109.2669	0.116	8	109.2669	0.013	8	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	109.3040	0.415	31	109.3040	0.172	31	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CNO)(H)2	H(CN[5a]CH)	109.0788	0.052	9	109.0788	0.003	9	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(COO)(H)2	H(CN[5a]CH)	109.1748	0.168	4	109.1748	0.028	4	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CC[6a]O)(H)2	H(CN[5a]CH)	109.2452	0.147	4	109.2452	0.022	4	109.1647	0.206	143	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCdC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCdC)(H)2	H(CN[5a]CH)	109.5150	0.243	4	109.5150	0.059	4	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCoC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCoC)(H)2	H(CN[5a]CH)	109.0015	0.029	2	109.0015	0.001	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	110.4155	0.530	2	110.4155	0.281	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CHHN)(H)2	C(CN[5a]HH)(NC[6a]H)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CHHN)(H)2	C(CN[5a]HH)(NC[6a]H)(H)2	H(CN[5a]CH)	109.6380	0.000	1	109.6380	0.000	1	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCC)(H)2	H(CN[5a]CH)	109.0100	0.000	1	109.0100	0.000	1	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	109.1040	0.000	1	109.1040	0.000	1	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCS)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCS)(H)2	H(CN[5a]CH)	108.9537	0.369	4	108.9537	0.136	4	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCdC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NCdC)(H)2	H(CN[5a]CH)	108.6920	0.000	1	108.6920	0.000	1	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	109.2940	0.020	2	109.2940	0.000	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCC)(H)2	H(CN[5a]CH)	109.2308	0.025	4	109.2308	0.001	4	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	108.8830	0.038	2	108.8830	0.001	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCS)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCS)(H)2	H(CN[5a]CH)	108.8590	0.027	2	108.8590	0.001	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NAlC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NAlC)(H)2	H(CN[5a]CH)	109.4480	0.013	2	109.4480	0.000	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCC)(H)2	H(CN[5a]CH)	109.1339	0.196	14	109.1339	0.038	14	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	109.5960	0.047	2	109.5960	0.002	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	C(N[5a]N[5a]2)(CHHN)(H)2	C(CN[5a]HH)(NCH)(H)2	H(CN[5a]CH)	109.2110	0.011	2	109.2110	0.000	2	109.2290	0.143	46	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C(CN[5a]HH)(PCC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C(CN[5a]HH)(PCC)(H)2	H(CN[5a]CH)	109.0520	0.054	4	109.0520	0.003	4	109.0520	0.003	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SRhC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SRhC)(H)2	H(CN[5a]CH)	108.5235	0.046	2	108.5235	0.002	2	108.9361	0.087	8	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SAgC)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SAgC)(H)2	H(CN[5a]CH)	109.1848	0.044	4	109.1848	0.002	4	108.9361	0.087	8	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SC[6a]Pd)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	C(CN[5a]HH)(SC[6a]Pd)(H)2	H(CN[5a]CH)	108.8515	0.019	2	108.8515	0.000	2	108.9361	0.087	8	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(N[6]C[6]2)(CBrCH)(H)2	C(CN[6]HH)(CNO)(Br)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CBrCH)(H)2	C(CN[6]HH)(CNO)(Br)(H)	H(CN[6]CH)	109.1290	0.006	2	109.1290	0.000	2	109.1290	0.000	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	H(CN[6]CH)	109.1288	0.135	10	109.1288	0.018	10	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	H(CN[6]CH)	105.7010	0.037	4	105.7010	0.001	4	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	H(CN[6]CH)	110.4890	0.051	2	110.4890	0.003	2	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[5]O)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[5]O)(H)2	H(CN[6]CH)	108.7830	0.013	2	108.7830	0.000	2	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	H(CN[6]CH)	108.7335	0.016	2	108.7335	0.000	2	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHH)(H)2	H(CN[6]CH)	109.0800	0.034	2	109.0800	0.001	2	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	H(CN[6]CH)	109.3355	0.256	19	109.3355	0.065	19	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CN[6]O)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CN[6]O)(H)2	H(CN[6]CH)	109.2922	0.043	4	109.2922	0.002	4	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	H(CN[6]CH)	109.1747	0.272	21	109.1747	0.074	21	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	H(CN[6]CH)	108.6390	0.013	2	108.6390	0.000	2	109.0111	0.815	68	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]B[6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	108.8986	0.265	12	108.8986	0.070	12	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	108.9290	0.000	1	108.9290	0.000	1	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6,6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]C[6,6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	109.3440	0.021	2	109.3440	0.000	2	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	109.2610	0.000	1	109.2610	0.000	1	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	109.2072	0.349	17	109.2072	0.122	17	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	109.1105	0.262	22	109.1105	0.069	22	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[5]H)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[5]H)(H)2	H(CN[6]CH)	109.5490	0.037	2	109.5490	0.001	2	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6]H)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6]H)(H)2	H(CN[6]CH)	109.2240	0.047	2	109.2240	0.002	2	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]C)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]C)(H)2	H(CN[6]CH)	109.6105	0.008	2	109.6105	0.000	2	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]H)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]H)(H)2	H(CN[6]CH)	109.0450	0.064	4	109.0450	0.004	4	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]N)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]N)(H)2	H(CN[6]CH)	109.4143	0.057	4	109.4143	0.003	4	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NFeC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NFeC)(H)2	H(CN[6]CH)	108.3962	0.535	4	108.3962	0.287	4	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHH)(H)2	H(CN[6]CH)	109.2752	0.053	6	109.2752	0.003	6	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHN)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHN)(H)2	H(CN[6]CH)	109.0355	0.028	2	109.0355	0.001	2	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHS)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHS)(H)2	H(CN[6]CH)	108.9090	0.006	2	108.9090	0.000	2	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NMnC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NMnC)(H)2	H(CN[6]CH)	108.7357	0.603	6	108.7357	0.364	6	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NNiC)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NNiC)(H)2	H(CN[6]CH)	109.1838	0.097	6	109.1838	0.009	6	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	110.4610	0.000	1	110.4610	0.000	1	109.1075	0.148	96	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHP)(H)2	C(CN[6]HH)(PC[6a]2)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHP)(H)2	C(CN[6]HH)(PC[6a]2)(H)2	H(CN[6]CH)	109.2935	0.952	2	109.2935	0.907	2	109.2935	0.907	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CC[5]O)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CC[5]O)(H)2	H(CN[6a]CH)	109.1100	0.025	2	109.1100	0.001	2	109.1596	0.043	60	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CNO)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CNO)(H)2	H(CN[6a]CH)	109.1409	0.111	11	109.1409	0.012	11	109.1596	0.043	60	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(COO)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(COO)(H)2	H(CN[6a]CH)	109.1294	0.203	43	109.1294	0.041	43	109.1596	0.043	60	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C(CN[6a]HH)(CN[6]O)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C(CN[6a]HH)(CN[6]O)(H)2	H(CN[6a]CH)	109.5595	0.021	4	109.5595	0.000	4	109.1596	0.043	60	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NCH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NCH)(H)2	H(CN[6a]CH)	109.2734	0.231	13	109.2734	0.053	13	109.1905	0.057	24	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NCS)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NCS)(H)2	H(CN[6a]CH)	109.1355	0.158	8	109.1355	0.025	8	109.1905	0.057	24	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NHH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NHH)(H)2	H(CN[6a]CH)	108.7725	0.033	2	108.7725	0.001	2	109.1905	0.057	24	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NHS)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NHS)(H)2	H(CN[6a]CH)	109.3890	0.000	1	109.3890	0.000	1	109.1905	0.057	24	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OAlMn)(CHHO)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	C(OAlMn)(CHHO)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	109.8301	0.057	7	109.8301	0.003	7	110.1187	0.213	22	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OC[6a]Be)(CHHO)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	C(OC[6a]Be)(CHHO)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	110.9685	0.424	4	110.9685	0.180	4	110.1187	0.213	22	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OMgSi)(CHHO)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	C(OMgSi)(CHHO)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	110.0515	0.049	2	110.0515	0.002	2	110.1187	0.213	22	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OSiSr)(CHHO)(H)2	C(CHHO)(OSrC)(H)2	H(CCHO)	C(OSiSr)(CHHO)(H)2	C(CHHO)(OSrC)(H)2	H(CCHO)	109.8012	0.087	4	109.8012	0.008	4	110.1187	0.213	22	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OSiZn)(CHHO)(H)2	C(CHHO)(OZnC)(H)2	H(CCHO)	C(OSiZn)(CHHO)(H)2	C(CHHO)(OZnC)(H)2	H(CCHO)	110.1238	0.052	5	110.1238	0.003	5	110.1187	0.213	22	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O[4]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	C(CO[4]HH)(NCC)(H)2	H(CO[4]CH)	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	C(CO[4]HH)(NCC)(H)2	H(CO[4]CH)	108.7465	2.177	6	108.7465	4.739	6	108.7617	3.048	10	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O[4]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(O[4]Ga[4]2)(CHHN)(H)2	C(CO[4]HH)(NCH)(H)2	H(CO[4]CH)	C(O[4]Ga[4]2)(CHHN)(H)2	C(CO[4]HH)(NCH)(H)2	H(CO[4]CH)	109.1920	0.045	2	109.1920	0.002	2	108.7617	3.048	10	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	O[4]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(O[4]In[4]2)(CHHN)(H)2	C(CO[4]HH)(NCC)(H)2	H(CO[4]CH)	C(O[4]In[4]2)(CHHN)(H)2	C(CO[4]HH)(NCC)(H)2	H(CO[4]CH)	108.3770	1.751	2	108.3770	3.065	2	108.7617	3.048	10	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CBC)(H)2	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CBC)(H)2	H(CCHP)	109.6370	0.010	2	109.6370	0.000	2	109.6999	0.008	7	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CCH)(H)2	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CCH)(H)2	H(CCHP)	109.7830	0.050	3	109.7830	0.003	3	109.6999	0.008	7	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]C[5])(CCHH)(H)2	C(CHHP)(CHP)(H)2	H(CCHP)	C(PC[6a]C[5])(CCHH)(H)2	C(CHHP)(CHP)(H)2	H(CCHP)	109.6380	0.062	2	109.6380	0.004	2	109.6999	0.008	7	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	C(PC[6a]2)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	109.1640	0.195	4	109.1640	0.038	4	109.1640	0.038	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6a]O)(CCHH)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	C(SC[6a]O)(CCHH)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	107.1355	2.402	2	107.1355	5.770	2	108.6862	2.614	6	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SCuNi)(CCHH)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	C(SCuNi)(CCHH)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	109.4615	0.172	4	109.4615	0.029	4	108.6862	2.614	6	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[6a]Ir)(CHHN)(H)2	C(CHHS)(NIrC)(H)2	H(CCHS)	C(SC[6a]Ir)(CHHN)(H)2	C(CHHS)(NIrC)(H)2	H(CCHS)	109.5375	0.027	4	109.5375	0.001	4	109.5836	0.195	16	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[6a]Pd)(CHHN)(H)2	C(CHHS)(NPdC)(H)2	H(CCHS)	C(SC[6a]Pd)(CHHN)(H)2	C(CHHS)(NPdC)(H)2	H(CCHS)	109.2048	0.276	6	109.2048	0.076	6	109.5836	0.195	16	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[6a]Ru)(CHHN)(H)2	C(CHHS)(NRuC)(H)2	H(CCHS)	C(SC[6a]Ru)(CHHN)(H)2	C(CHHS)(NRuC)(H)2	H(CCHS)	109.5480	0.041	2	109.5480	0.002	2	109.5836	0.195	16	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SFeNi)(CHHN)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	C(SFeNi)(CHHN)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	110.2157	0.152	4	110.2157	0.023	4	109.5836	0.195	16	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SAgFe)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	C(SAgFe)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	109.0586	0.354	7	109.0586	0.125	7	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SAuRu)(CHHS)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	C(SAuRu)(CHHS)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	109.2170	0.028	2	109.2170	0.001	2	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SC[6a]Ni)(CHHS)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	C(SC[6a]Ni)(CHHS)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	109.3950	0.000	1	109.3950	0.000	1	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SC[6a]Ni)(CHHS)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	C(SC[6a]Ni)(CHHS)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	108.8790	0.021	4	108.8790	0.000	4	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SC[6a]Ru)(CHHS)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	C(SC[6a]Ru)(CHHS)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	109.3405	0.049	2	109.3405	0.002	2	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SCoFe)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	C(SCoFe)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	109.6224	0.153	8	109.6224	0.024	8	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SCuGa)(CHHS)(H)2	C(CHHS)(SCu2)(H)2	H(CCHS)	C(SCuGa)(CHHS)(H)2	C(CHHS)(SCu2)(H)2	H(CCHS)	108.9589	0.040	8	108.9589	0.002	8	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SCuIn)(CHHS)(H)2	C(CHHS)(SCu2)(H)2	H(CCHS)	C(SCuIn)(CHHS)(H)2	C(CHHS)(SCu2)(H)2	H(CCHS)	108.9713	0.052	7	108.9713	0.003	7	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SFePd)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	C(SFePd)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	109.5167	0.076	6	109.5167	0.006	6	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SFeRu)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	C(SFeRu)(CHHS)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	108.9488	0.207	4	108.9488	0.043	4	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SMnNi)(CHHS)(H)2	C(CHHS)(SMnC)(H)2	H(CCHS)	C(SMnNi)(CHHS)(H)2	C(CHHS)(SMnC)(H)2	H(CCHS)	108.7706	0.223	7	108.7706	0.050	7	109.1281	0.112	56	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	S[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(S[6]C[6]2)(CHHN)(H)2	C(CS[6]HH)(NCC)(H)2	H(CS[6]CH)	C(S[6]C[6]2)(CHHN)(H)2	C(CS[6]HH)(NCC)(H)2	H(CS[6]CH)	106.8765	0.025	2	106.8765	0.001	2	106.8765	0.001	2	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SeC[6a]Ir)(CHHN)(H)2	C(CSeHH)(NIrC)(H)2	H(CSeCH)	C(SeC[6a]Ir)(CHHN)(H)2	C(CSeHH)(NIrC)(H)2	H(CSeCH)	109.7355	0.236	4	109.7355	0.056	4	109.6942	0.078	10	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CHHN)(H)2	C(CSeHH)(NPdC)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CHHN)(H)2	C(CSeHH)(NPdC)(H)2	H(CSeCH)	109.6667	0.324	6	109.6667	0.105	6	109.6942	0.078	10	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(SeCaC)(CHHO)(H)2	C(CSeHH)(OCaC)(H)2	H(CSeCH)	C(SeCaC)(CHHO)(H)2	C(CSeHH)(OCaC)(H)2	H(CSeCH)	108.9900	0.293	4	108.9900	0.086	4	108.9900	0.086	4	109.0384	0.865	2968	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	B[5]-3:C-4:H-1:H-1:	C-4:C-3:C-2:H-1:	C-4:	C(B[5]O[5]2)(CCCH)(H)2	C(CB[5]HH)(CCH)(CN)(H)	H(CB[5]CH)	C(B[5]O[5]2)(CCCH)(H)2	C(CB[5]HH)(CCH)(CN)(H)	H(CB[5]CH)	109.1190	0.401	4	109.1190	0.161	4	109.1190	0.161	4	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[5]O)(CCHO)(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	C(CC[5]O)(CCHO)(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	109.0080	0.000	1	109.0080	0.000	1	109.2721	0.067	7	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6a]C)(CCHO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	C(CC[6a]C)(CCHO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	109.6075	0.022	2	109.6075	0.000	2	109.2721	0.067	7	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6a]O)(CCHO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	C(CC[6a]O)(CCHO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	109.1705	0.147	4	109.1705	0.022	4	109.2721	0.067	7	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NC)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NC)(H)	H(CC[5]CH)	108.9000	0.037	2	108.9000	0.001	2	108.9000	0.001	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	C(CC[5]HH)(CCH)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	C(CC[5]HH)(CCH)(OC)(H)	H(CC[5]CH)	109.5535	0.009	2	109.5535	0.000	2	109.2237	0.154	4	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]N[5])(CCHO)(H)2	C(CC[5]HH)(COO)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHO)(H)2	C(CC[5]HH)(COO)(OH)(H)	H(CC[5]CH)	108.8940	0.161	2	108.8940	0.026	2	109.2237	0.154	4	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CC[5a]HH)(COO)(OS)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CC[5a]HH)(COO)(OS)(H)	H(CC[5a]CH)	108.8485	0.021	2	108.8485	0.000	2	109.0060	0.033	4	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C(CC[5a]HH)(CC[6a]O)(OH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C(CC[5a]HH)(CC[6a]O)(OH)(H)	H(CC[5a]CH)	109.1635	0.025	2	109.1635	0.001	2	109.0060	0.033	4	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]2)(CCHO)(H)2	C(CC[6]HH)(CCO)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2)(CCHO)(H)2	C(CC[6]HH)(CCO)(OH)(H)	H(CC[6]CH)	109.6840	0.000	1	109.6840	0.000	1	109.6840	0.000	1	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	H(CC[6a]ClC)	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[5a]O)(CN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[5a]O)(CN)(H)	H(CC[6a]CH)	108.9696	0.042	7	108.9696	0.002	7	108.9696	0.002	7	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NC)(H)	H(CC[6a]CH)	107.8626	1.927	14	107.8626	3.715	14	108.3822	2.140	32	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NC)(H)	H(CC[6a]CH)	109.0960	0.010	2	109.0960	0.000	2	108.3822	2.140	32	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NC)(H)	H(CC[6a]CH)	109.1919	0.344	10	109.1919	0.118	10	108.3822	2.140	32	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NN)(H)	H(CC[6a]CH)	107.5920	0.257	4	107.5920	0.066	4	108.3822	2.140	32	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NS)(H)	H(CC[6a]CH)	108.8370	1.590	2	108.8370	2.527	2	108.3822	2.140	32	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCH)(OH)(H)	H(CC[6a]CH)	108.7482	0.239	4	108.7482	0.057	4	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCN)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCN)(OC)(H)	H(CC[6a]CH)	108.8913	0.093	3	108.8913	0.009	3	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCO)(OH)(H)	H(CC[6a]CH)	108.5420	0.024	2	108.5420	0.001	2	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCO)(ON)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCO)(ON)(H)	H(CC[6a]CH)	108.7890	0.000	1	108.7890	0.000	1	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CNO)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CNO)(OC)(H)	H(CC[6a]CH)	109.0353	0.317	6	109.0353	0.101	6	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CNO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CNO)(OH)(H)	H(CC[6a]CH)	108.3293	0.429	6	108.3293	0.184	6	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]O)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]O)(OH)(H)	H(CC[6a]CH)	109.3638	0.129	5	109.3638	0.017	5	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	H(CC[6a]CH)	108.6650	0.058	2	108.6650	0.003	2	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(COO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(COO)(OH)(H)	H(CC[6a]CH)	108.8823	0.325	17	108.8823	0.105	17	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C(CC[6a]HH)(COO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C(CC[6a]HH)(COO)(OH)(H)	H(CC[6a]CH)	109.4435	0.009	2	109.4435	0.000	2	108.8701	0.160	48	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:S-2:F-1:	C-4:	C(C[6a]C[6a]2)(CCFS)(H)2	C(CC[6a]HH)(COO)(SN)(F)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFS)(H)2	C(CC[6a]HH)(COO)(SN)(F)	H(CC[6a]CH)	109.5250	0.018	2	109.5250	0.000	2	109.5250	0.000	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(H)2	C(CC[6a]HH)(COO)(SC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(H)2	C(CC[6a]HH)(COO)(SC)(H)	H(CC[6a]CH)	109.0955	0.009	2	109.0955	0.000	2	109.0955	0.000	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCH)(CC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCH)(CC)(H)	H(CC[6a]CH)	108.6335	0.032	2	108.6335	0.001	2	108.6335	0.001	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CHNO)(H)2	C(CC[6a]HH)(NCH)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNO)(H)2	C(CC[6a]HH)(NCH)(OC)(H)	H(CC[6a]CH)	109.1495	0.013	2	109.1495	0.000	2	109.1495	0.000	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:O-2:H-1:	C-4:	C(NC[5a]H)(CHNO)(H)2	C(CHHN)(NCH)(OH)(H)	H(CCHN)	C(NC[5a]H)(CHNO)(H)2	C(CHHN)(NCH)(OH)(H)	H(CCHN)	108.9960	0.027	2	108.9960	0.001	2	108.9960	0.001	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CC[6a]O)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CC[6a]O)(OC)(H)	H(CN[5a]CH)	108.9687	0.279	57	108.9687	0.078	57	108.9687	0.078	57	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHS)(H)2	C(CN[5a]HH)(CCO)(SC)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	C(CN[5a]HH)(CCO)(SC)(H)	H(CN[5a]CH)	109.2905	0.052	2	109.2905	0.003	2	109.0455	0.081	4	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHS)(H)2	C(CN[5a]HH)(CC[6a]O)(SC)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	C(CN[5a]HH)(CC[6a]O)(SC)(H)	H(CN[5a]CH)	108.8005	0.006	2	108.8005	0.000	2	109.0455	0.081	4	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	H(CN[6]CH)	109.4070	0.014	2	109.4070	0.000	2	109.4070	0.000	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CCH)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CCH)(OH)(H)	H(CCHS)	110.1330	0.057	2	110.1330	0.003	2	110.1330	0.003	2	108.8855	0.526	185	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:2:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-2:O-2:	C-4:	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[5a]HH)(COO)(CC)(OH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[5a]HH)(COO)(CC)(OH)	H(CC[5a]CH)	109.0055	0.019	2	109.0055	0.000	2	109.0055	0.000	2	108.1670	0.952	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:2:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:C-2:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C(CC[6a]BrH)(CNO)(CN)(OH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C(CC[6a]BrH)(CNO)(CN)(OH)	H(CC[6a]BrC)	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	108.1670	0.952	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:2:2:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-3:O-2:O-2:	C-4:	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	C(CC[6a]ClH)(CNO)(OH)2	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCOO)(Cl)(H)	C(CC[6a]ClH)(CNO)(OH)2	H(CC[6a]ClC)	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.1670	0.952	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CCC)(COO)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CCC)(COO)(H)	H(CCCH)	109.1815	0.037	2	109.1815	0.001	2	109.1815	0.001	2	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[5,6]H)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CC[5,6]H)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	108.0575	1.327	2	108.0575	1.762	2	108.8543	0.758	6	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	109.0760	0.010	2	109.0760	0.000	2	108.8543	0.758	6	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CN[5]O)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CN[5]O)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	109.4295	0.025	2	109.4295	0.001	2	108.8543	0.758	6	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NCH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NCH)(H)	H(CC[5]CH)	108.8385	1.000	6	108.8385	1.001	6	108.5589	0.722	10	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NHH)(H)	H(CC[5]CH)	107.8555	0.033	2	107.8555	0.001	2	108.5589	0.722	10	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NHS)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(COO)(NHS)(H)	H(CC[5]CH)	108.4235	0.015	2	108.4235	0.000	2	108.5589	0.722	10	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NCuC)(CNO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NCuC)(CNO)(H)	H(CC[5]CH)	108.3180	0.038	2	108.3180	0.001	2	107.2924	16.137	9	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NCuC)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NCuC)(COO)(H)	H(CC[5]CH)	108.1175	0.214	4	108.1175	0.046	4	107.2924	16.137	9	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NFeC)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NFeC)(COO)(H)	H(CC[5]CH)	103.6763	9.718	2	103.6763	94.442	2	107.2924	16.137	9	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NNiC)(CNO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NNiC)(CNO)(H)	H(CC[5]CH)	109.1730	0.000	1	109.1730	0.000	1	107.2924	16.137	9	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHO)(H)2	C(CC[5]HH)(OCoH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHO)(H)2	C(CC[5]HH)(OCoH)(COO)(H)	H(CC[5]CH)	108.3645	0.025	2	108.3645	0.001	2	108.6610	10.792	4	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHO)(H)2	C(CC[5]HH)(ONiH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHO)(H)2	C(CC[5]HH)(ONiH)(COO)(H)	H(CC[5]CH)	108.9575	5.659	2	108.9575	32.024	2	108.6610	10.792	4	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]2)(CCCH)(H)2	C(CC[5a]HH)(COO)2(H)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CC[5a]HH)(COO)2(H)	H(CC[5a]CH)	108.2950	0.035	2	108.2950	0.001	2	108.7439	0.294	20	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CCO)(CNO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CCO)(CNO)(H)	H(CC[5a]CH)	108.6790	1.595	2	108.6790	2.545	2	108.7439	0.294	20	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CC[6a]O)(CCC)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CC[6a]O)(CCC)(H)	H(CC[5a]CH)	108.9080	0.006	2	108.9080	0.000	2	108.7439	0.294	20	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CNO)2(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CNO)2(H)	H(CC[5a]CH)	109.1256	0.151	8	109.1256	0.023	8	108.7439	0.294	20	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CCC)(CCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CCC)(CCH)(H)	H(CC[5a]CH)	108.1245	0.011	2	108.1245	0.000	2	108.7439	0.294	20	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CN[5]O)(CCC)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CN[5]O)(CCC)(H)	H(CC[5a]CH)	108.4652	0.244	4	108.4652	0.059	4	108.7439	0.294	20	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CNO)(NCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CNO)(NCH)(H)	H(CC[5a]CH)	108.9685	0.432	8	108.9685	0.186	8	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CNO)(NHH)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CNO)(NHH)(H)	H(CC[5a]CH)	108.9570	0.045	2	108.9570	0.002	2	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CN[5]O)(NCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CN[5]O)(NCH)(H)	H(CC[5a]CH)	109.3960	0.022	4	109.3960	0.000	4	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NCC)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NCC)(H)	H(CC[5a]CH)	108.5115	1.181	4	108.5115	1.394	4	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NCH)(H)	H(CC[5a]CH)	108.7075	0.698	76	108.7075	0.487	76	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NHS)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NHS)(H)	H(CC[5a]CH)	109.1815	0.015	2	109.1815	0.000	2	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CNO)(NCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CNO)(NCH)(H)	H(CC[5a]CH)	108.7497	1.418	10	108.7497	2.010	10	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NCH)(H)	H(CC[5a]CH)	108.8525	0.731	6	108.8525	0.534	6	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NHH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(COO)(NHH)(H)	H(CC[5a]CH)	109.1890	0.033	2	109.1890	0.001	2	108.7755	0.584	114	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCuC)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCuC)(COO)(H)	H(CC[5a]CH)	105.3535	6.659	2	105.3535	44.340	2	107.6340	9.901	7	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NNiC)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NNiC)(COO)(H)	H(CC[5a]CH)	108.3287	0.271	3	108.3287	0.074	3	107.6340	9.901	7	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(NC[5]S)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(NC[5]S)(COO)(H)	H(CC[5a]CH)	108.8725	0.018	2	108.8725	0.000	2	107.6340	9.901	7	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(Br)(H)	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCHN)(Br)(H)	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	H(CC[6a]BrC)	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CC[6a]ClH)(COO)(NHN)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CC[6a]ClH)(COO)(NHN)(H)	H(CC[6a]ClC)	109.4930	0.966	2	109.4930	0.933	2	109.4930	0.933	2	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:F-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CC[6a]FH)(COO)(NCC)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CC[6a]FH)(COO)(NCC)(H)	H(CC[6a]CF)	109.3762	1.403	5	109.3762	1.968	5	109.3762	1.968	5	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCH)(CNO)(H)	H(CC[6a]CH)	109.2765	0.022	2	109.2765	0.000	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCH)(COO)(H)	H(CC[6a]CH)	109.0515	0.047	2	109.0515	0.002	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCN)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCN)2(H)	H(CC[6a]CH)	109.1920	0.040	2	109.1920	0.002	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCO)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCO)(CNO)(H)	H(CC[6a]CH)	107.5930	0.010	2	107.5930	0.000	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCO)2(H)	H(CC[6a]CH)	109.0175	0.012	2	109.0175	0.000	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(COO)(H)	H(CC[6a]CH)	108.4810	0.000	1	108.4810	0.000	1	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)2(H)	H(CC[6a]CH)	108.7103	0.171	4	108.7103	0.029	4	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CNO)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CNO)(COO)(H)	H(CC[6a]CH)	108.5240	0.025	2	108.5240	0.001	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CNO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CNO)2(H)	H(CC[6a]CH)	108.6730	0.000	1	108.6730	0.000	1	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]O)(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]O)(CCH)(H)	H(CC[6a]CH)	108.9260	0.018	2	108.9260	0.000	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]O)(CHN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]O)(CHN)(H)	H(CC[6a]CH)	107.7200	0.033	2	107.7200	0.001	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(COO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(COO)2(H)	H(CC[6a]CH)	108.2331	0.940	14	108.2331	0.883	14	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CCO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CCO)2(H)	H(CC[6a]CH)	109.2185	0.192	4	109.2185	0.037	4	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(COO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(COO)2(H)	H(CC[6a]CH)	108.6035	0.035	2	108.6035	0.001	2	108.5700	0.520	42	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCH)(H)	H(CC[6a]CH)	109.0510	0.035	2	109.0510	0.001	2	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C(CC[6a]HH)(COO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	C(CC[6a]HH)(COO)(NCH)(H)	H(CC[6a]CH)	108.9835	0.042	2	108.9835	0.002	2	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCH)(NCH)(H)	H(CC[6a]CH)	108.8526	0.226	15	108.8526	0.051	15	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCO)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCO)(NCC)(H)	H(CC[6a]CH)	109.1450	0.011	2	109.1450	0.000	2	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHH)(NCH)(H)	H(CC[6a]CH)	108.7730	0.023	2	108.7730	0.001	2	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCC)(H)	H(CC[6a]CH)	109.1232	0.325	28	109.1232	0.106	28	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCH)(H)	H(CC[6a]CH)	108.6966	1.131	301	108.6966	1.280	301	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NCS)(H)	H(CC[6a]CH)	109.4280	0.811	4	109.4280	0.658	4	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NHH)(H)	H(CC[6a]CH)	108.7825	0.241	32	108.7825	0.058	32	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CNO)(NHS)(H)	H(CC[6a]CH)	109.1065	0.139	6	109.1065	0.019	6	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	H(CC[6a]CH)	107.6015	0.036	2	107.6015	0.001	2	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NCC)(H)	H(CC[6a]CH)	110.2927	2.474	4	110.2927	6.121	4	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NCH)(H)	H(CC[6a]CH)	109.0755	0.547	34	109.0755	0.299	34	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCC)(H)	H(CC[6a]CH)	108.6377	0.785	15	108.6377	0.616	15	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCH)(H)	H(CC[6a]CH)	108.7446	0.678	360	108.7446	0.460	360	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCO)(H)	H(CC[6a]CH)	109.0067	0.062	4	109.0067	0.004	4	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NCS)(H)	H(CC[6a]CH)	108.7613	0.749	6	108.7613	0.560	6	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NHH)(H)	H(CC[6a]CH)	108.3386	0.079	5	108.3386	0.006	5	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COO)(NHS)(H)	H(CC[6a]CH)	108.5563	0.990	11	108.5563	0.980	11	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COS)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(COS)(NCC)(H)	H(CC[6a]CH)	108.0280	0.177	2	108.0280	0.031	2	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHN)(H)2	C(CC[6a]HH)(COO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	C(CC[6a]HH)(COO)(NCH)(H)	H(CC[6a]CH)	108.3655	0.023	2	108.3655	0.001	2	108.7616	0.755	839	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[6a]H)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[6a]H)(COO)(H)	H(CC[6a]CH)	108.8707	0.335	9	108.8707	0.112	9	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	H(CC[6a]CH)	109.0950	0.020	2	109.0950	0.000	2	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuC)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuC)(CNO)(H)	H(CC[6a]CH)	108.7720	0.023	2	108.7720	0.001	2	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuC)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuC)(COO)(H)	H(CC[6a]CH)	108.7289	0.180	16	108.7289	0.032	16	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiC)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiC)(CNO)(H)	H(CC[6a]CH)	108.5112	0.293	13	108.5112	0.086	13	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiC)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiC)(COO)(H)	H(CC[6a]CH)	108.7349	0.348	15	108.7349	0.121	15	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NPdC)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NPdC)(COO)(H)	H(CC[6a]CH)	109.6935	0.043	4	109.6935	0.002	4	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NSnC)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NSnC)(CNO)(H)	H(CC[6a]CH)	109.2578	0.055	4	109.2578	0.003	4	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NSnC)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NSnC)(COO)(H)	H(CC[6a]CH)	109.0250	0.037	2	109.0250	0.001	2	108.8173	0.147	67	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:	C(NN[5a]H)(CFNN)(H)2	C(CHHN)(NOO)2(F)	H(CCHN)	C(NN[5a]H)(CFNN)(H)2	C(CHHN)(NOO)2(F)	H(CCHN)	110.1535	0.022	2	110.1535	0.000	2	110.1535	0.000	2	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(N[5]C[5]2)(CCHN)(H)2	C(CN[5]HH)(COO)(NCH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHN)(H)2	C(CN[5]HH)(COO)(NCH)(H)	H(CN[5]CH)	109.5035	0.033	2	109.5035	0.001	2	109.5035	0.001	2	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:	C(N[5a]C[5a]2)(CFNN)(H)2	C(CN[5a]HH)(NOO)2(F)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CFNN)(H)2	C(CN[5a]HH)(NOO)2(F)	H(CN[5a]CH)	109.3560	0.000	1	109.3560	0.000	1	109.6493	0.025	9	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C(CN[5a]HH)(NOO)2(F)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CFNN)(H)2	C(CN[5a]HH)(NOO)2(F)	H(CN[5a]CH)	109.6860	0.123	8	109.6860	0.015	8	109.6493	0.025	9	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	C(CN[6a]HH)(CCC)(COO)(H)	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	C(CN[6a]HH)(CCC)(COO)(H)	H(CN[6a]CH)	108.2410	0.047	2	108.2410	0.002	2	108.2410	0.002	2	108.7527	0.895	1143	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	C-3:C-4:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CC[6a]O)(CCCO)(H)2	C(CCHH)(CCH)(COO)(OH)	H(CCCH)	C(CC[6a]O)(CCCO)(H)2	C(CCHH)(CCH)(COO)(OH)	H(CCCH)	108.8760	0.023	2	108.8760	0.001	2	108.8760	0.001	2	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:C-2:	C-4:	C(C[5a]C[5a]O[5a])(CC3)(H)2	C(CC[5a]HH)(CCN)(COO)(CN)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC3)(H)2	C(CC[5a]HH)(CCN)(COO)(CN)	H(CC[5a]CH)	108.9350	0.004	2	108.9350	0.000	2	108.9350	0.000	2	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[5a]HH)(CCH)(COO)(OH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[5a]HH)(CCH)(COO)(OH)	H(CC[5a]CH)	108.7560	0.020	2	108.7560	0.000	2	108.7560	0.000	2	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:N-2:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCH)(CNO)(NC)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCH)(CNO)(NC)	H(CC[6a]CH)	108.5198	0.273	4	108.5198	0.075	4	108.5198	0.075	4	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCO)(COS)(ON)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCO)(COS)(ON)	H(CC[6a]CH)	108.6065	0.006	2	108.6065	0.000	2	108.8005	0.050	4	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCO)2(OO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCO)2(OO)	H(CC[6a]CH)	108.9945	0.015	2	108.9945	0.000	2	108.8005	0.050	4	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:S-2:	C-4:	C(C[6a]C[6a]2)(CCCS)(H)2	C(CC[6a]HH)(COO)2(SC)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCS)(H)2	C(CC[6a]HH)(COO)2(SC)	H(CC[6a]CH)	108.1315	0.023	2	108.1315	0.001	2	108.1315	0.001	2	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:2:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CCCO)(H)2	C(CN[5a]HH)(CCH)2(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCO)(H)2	C(CN[5a]HH)(CCH)2(OH)	H(CN[5a]CH)	108.6445	0.009	2	108.6445	0.000	2	108.6445	0.000	2	108.6648	0.080	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CC[6a]H)(CCO)(COO)	H(CC[6]CH)	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CC[6a]H)(CCO)(COO)	H(CC[6]CH)	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCH)3	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCH)3	H(CC[6a]CH)	106.2705	0.060	2	106.2705	0.004	2	106.2705	0.004	2	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCH)(CNO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCH)(CNO)(NCH)	H(CC[6a]CH)	108.5703	0.205	3	108.5703	0.042	3	108.6520	0.034	5	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CNO)(COO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CNO)(COO)(NCH)	H(CC[6a]CH)	108.7745	0.040	2	108.7745	0.002	2	108.6520	0.034	5	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	H(CCHN)	C(NC[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	H(CCHN)	109.2397	0.129	15	109.2397	0.017	15	109.2603	0.581	31	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(NC[5a]N)(CN3)(H)2	C(CHHN)(NOO)3	H(CCHN)	C(NC[5a]N)(CN3)(H)2	C(CHHN)(NOO)3	H(CCHN)	109.2690	0.013	2	109.2690	0.000	2	109.2603	0.581	31	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	N-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(NN[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	H(CCHN)	C(NN[5a]H)(CN3)(H)2	C(CHHN)(NOO)3	H(CCHN)	109.2811	1.150	14	109.2811	1.322	14	109.2603	0.581	31	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:3:3:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(N[5a]C[5a]N[5a])(CN3)(H)2	C(CN[5a]HH)(NOO)3	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CN3)(H)2	C(CN[5a]HH)(NOO)3	H(CN[5a]CH)	106.7510	2.300	2	106.7510	5.288	2	106.7510	5.288	2	108.9095	1.256	41	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C-3:C-4:H-1:H-1:	S-4:C-3:C-4:H-1:	C-4:	C(CC[6a]C)(CCHS)(H)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[6a]C)(CCHS)(H)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	H(CCCH)	109.0870	0.034	2	109.0870	0.001	2	109.0870	0.001	2	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	H(CC[5a]CH)	108.4060	0.006	2	108.4060	0.000	2	108.7242	0.135	4	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	H(CC[5a]CH)	109.0425	0.013	2	109.0425	0.000	2	108.7242	0.135	4	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	H(CC[5a]CH)	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	H(CC[6a]CH)	109.1351	0.288	13	109.1351	0.083	13	109.0578	0.320	20	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	H(CC[6a]CH)	107.7300	0.933	2	107.7300	0.871	2	109.0578	0.320	20	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	H(CC[6a]CH)	109.5175	0.009	2	109.5175	0.000	2	109.0578	0.320	20	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]O)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]O)(CH3)(H)	H(CC[6a]CH)	109.3017	0.076	3	109.3017	0.006	3	109.0578	0.320	20	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CN[5]O)(NH3)(H)	H(CC[6a]CH)	108.7110	0.006	2	108.7110	0.000	2	108.7110	0.000	2	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	H(CC[6a]CH)	108.9610	0.000	2	108.9610	0.000	2	109.1175	0.029	6	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	H(CC[6a]CH)	109.1958	0.157	4	109.1958	0.025	4	109.1175	0.029	6	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHNP)(H)2	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNP)(H)2	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	H(CC[6a]CH)	108.9465	0.530	6	108.9465	0.281	6	108.9465	0.281	6	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	108.7130	0.023	2	108.7130	0.001	2	108.7130	0.001	2	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	H(CC[6a]CH)	108.9575	0.009	2	108.9575	0.000	2	108.9575	0.000	2	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(N[5]C[5,5]C[5])(CCHN)(H)2	C(CN[5]HH)(NC[5]H)(CH3)(H)	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHN)(H)2	C(CN[5]HH)(NC[5]H)(CH3)(H)	H(CN[5]CH)	108.4475	0.015	2	108.4475	0.000	2	108.4475	0.000	2	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	H(CN[5]CH)	109.2345	0.238	16	109.2345	0.057	16	109.2728	0.064	20	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	H(CN[5]CH)	109.4290	0.503	2	109.4290	0.253	2	109.2728	0.064	20	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(N[5]C[5]N[5])(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHS)(H)2	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	H(CN[5]CH)	109.4235	0.029	2	109.4235	0.001	2	109.2728	0.064	20	109.0579	0.182	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CC[6a]N)(CCCO)(H)2	C(CCHH)(OZn2)(CF3)2	H(CCCH)	C(CC[6a]N)(CCCO)(H)2	C(CCHH)(OZn2)(CF3)2	H(CCCH)	108.6980	0.014	2	108.6980	0.000	2	108.6980	0.000	2	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(OMg2)(CH3)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(OMg2)(CH3)2	H(CC[6]CH)	108.4720	0.025	2	108.4720	0.001	2	108.4937	0.019	17	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(ONiH)(CH3)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(ONiH)(CH3)2	H(CC[6]CH)	108.4966	0.145	15	108.4966	0.021	15	108.4937	0.019	17	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CC[6a]S)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CC[6a]S)(CH3)2	H(CC[6a]CH)	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhB)(CH3)2	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhB)(CH3)2	H(CN[5]CH)	109.1965	0.033	2	109.1965	0.001	2	109.0685	0.076	6	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhH)(CH3)2	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(ORhH)(CH3)2	H(CN[5]CH)	109.2045	0.409	2	109.2045	0.168	2	109.0685	0.076	6	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(OZn2)(CH3)2	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(OZn2)(CH3)2	H(CN[5]CH)	108.8045	0.023	2	108.8045	0.001	2	109.0685	0.076	6	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(SFeNi)(CCCS)(H)2	C(CHHS)(SNiC)(CH3)2	H(CCHS)	C(SFeNi)(CCCS)(H)2	C(CHHS)(SNiC)(CH3)2	H(CCHS)	109.2477	0.039	3	109.2477	0.002	3	109.2477	0.002	3	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	Se-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(SeC[6a]Pb)(CCCO)(H)2	C(CSeHH)(OPb2)(CH3)2	H(CSeCH)	C(SeC[6a]Pb)(CCCO)(H)2	C(CSeHH)(OPb2)(CH3)2	H(CSeCH)	108.4988	0.277	4	108.4988	0.077	4	108.5970	0.069	6	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	Se-3:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(SeC[6a]Zn)(CCCO)(H)2	C(CSeHH)(OZn2)(CH3)2	H(CSeCH)	C(SeC[6a]Zn)(CCCO)(H)2	C(CSeHH)(OZn2)(CH3)2	H(CSeCH)	108.7935	0.018	2	108.7935	0.000	2	108.5970	0.069	6	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:3:4:4:	4:	Se-3:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(SeFeNi)(CCCS)(H)2	C(CSeHH)(SNiC)(CH3)2	H(CSeCH)	C(SeFeNi)(CCCS)(H)2	C(CSeHH)(SNiC)(CH3)2	H(CSeCH)	109.4357	0.087	4	109.4357	0.008	4	109.4357	0.008	4	108.7500	0.161	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	As-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CAsCH)	C(AsC[6a]2)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CAsCH)	109.4340	0.926	2	109.4340	0.858	2	109.4340	0.858	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2)(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2)(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	H(CBCH)	107.9150	0.004	2	107.9150	0.000	2	108.1564	0.516	9	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CBHH)(H)2	H(CBCH)	107.9245	0.008	2	107.9245	0.000	2	108.1564	0.516	9	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	107.3270	0.021	2	107.3270	0.000	2	108.1564	0.516	9	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	H(CBCH)	109.0250	0.364	3	109.0250	0.132	3	108.1564	0.516	9	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[5]-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CBHH)(H)2	C(BC[6a]3)(CB[5]HH)(H)2	H(CB[5]CH)	C(B[5]O[5]2)(CBHH)(H)2	C(BC[6a]3)(CB[5]HH)(H)2	H(CB[5]CH)	108.9930	0.017	2	108.9930	0.000	2	108.9930	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]C[5,6a]2)(CCHH)(H)2	C(CB[5]HH)2(H)2	H(CB[5]CH)	C(B[5]C[5,6a]2)(CCHH)(H)2	C(CB[5]HH)2(H)2	H(CB[5]CH)	106.4990	0.343	4	106.4990	0.117	4	108.0343	1.391	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCHH)(H)2	C(CB[5]HH)(CCHH)(H)2	H(CB[5]CH)	C(B[5]O[5]2)(CCHH)(H)2	C(CB[5]HH)(CCHH)(H)2	H(CB[5]CH)	108.5045	0.053	2	108.5045	0.003	2	108.0343	1.391	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCHH)(H)2	C(CB[5]HH)(CN[5]HH)(H)2	H(CB[5]CH)	C(B[5]O[5]2)(CCHH)(H)2	C(CB[5]HH)(CN[5]HH)(H)2	H(CB[5]CH)	108.9225	0.790	6	108.9225	0.624	6	108.0343	1.391	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCHH)(H)2	C(CC[6a]HN)(CB[5]HH)(H)2	H(CB[5]CH)	C(B[5]O[5]2)(CCHH)(H)2	C(CC[6a]HN)(CB[5]HH)(H)2	H(CB[5]CH)	107.9700	0.017	2	107.9700	0.000	2	108.0343	1.391	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CHHP)(H)2	C(PC[6a]HH)(CB[5]HH)(H)2	H(CB[5]CH)	C(B[5]O[5]2)(CHHP)(H)2	C(PC[6a]HH)(CB[5]HH)(H)2	H(CB[5]CH)	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CB[6,6]CH)	107.3087	0.351	9	107.3087	0.124	9	107.3087	0.124	9	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Re)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Re)(H)2	H(CB[6,6]CH)	107.9684	0.073	5	107.9684	0.005	5	107.8952	0.120	10	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Rh)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Rh)(H)2	H(CB[6,6]CH)	107.6017	0.111	4	107.6017	0.012	4	107.8952	0.120	10	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	B[6,6]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Ru)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Ru)(H)2	H(CB[6,6]CH)	108.7030	0.000	1	108.7030	0.000	1	107.8952	0.120	10	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CC[6a]O)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]O)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CBrCH)(Br)(H)	H(CBrCC)	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	C(CN[5]O)(CCHH)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	108.9580	0.000	1	108.9580	0.000	1	109.7995	1.416	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	C(CN[6]O)(CCHH)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	110.6410	0.000	1	110.6410	0.000	1	109.7995	1.416	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CC[6a]O)(CClCH)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	C(CC[6a]O)(CClCH)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CC[6a]O)(CCFH)(H)2	C(CCHH)(CH3)(F)(H)	H(CCCH)	C(CC[6a]O)(CCFH)(H)2	C(CCHH)(CH3)(F)(H)	H(CCCH)	108.6515	0.015	2	108.6515	0.000	2	108.6515	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CB[5]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CB[5]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7170	0.031	2	108.7170	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CB[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CB[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5155	0.016	2	108.5155	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0875	0.176	4	109.0875	0.031	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1370	0.020	2	109.1370	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9190	0.000	1	108.9190	0.000	1	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	108.1803	0.204	4	108.1803	0.042	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3x6]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7465	0.022	2	108.7465	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[3x6]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.6325	0.012	2	108.6325	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]C)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[4]C)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.4393	0.088	4	108.4393	0.008	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]Cl)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[4]Cl)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4200	0.023	2	109.4200	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[4]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.7015	0.006	2	109.7015	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[5,6]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.8395	0.047	2	108.8395	0.002	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	109.5185	0.033	2	109.5185	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	109.0600	0.047	3	109.0600	0.002	3	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0643	0.305	4	109.0643	0.093	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.4842	0.400	6	109.4842	0.160	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8024	0.776	18	108.8024	0.603	18	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	108.7193	0.020	4	108.7193	0.000	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.9660	0.000	1	108.9660	0.000	1	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	110.4128	5.363	4	110.4128	28.765	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0924	0.713	7	109.0924	0.509	7	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.3685	0.035	2	108.3685	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.1940	0.014	2	108.1940	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6544	0.816	10	108.6544	0.666	10	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.3017	0.621	9	108.3017	0.386	9	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	107.7493	0.042	4	107.7493	0.002	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.6505	0.022	2	108.6505	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.5135	0.025	2	108.5135	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8254	0.757	56	108.8254	0.573	56	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	108.6149	0.035	7	108.6149	0.001	7	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]Si)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]Si)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3540	0.048	2	109.3540	0.002	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6786	0.166	7	108.6786	0.027	7	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0295	0.139	6	109.0295	0.019	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4970	0.004	2	108.4970	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0245	0.062	2	109.0245	0.004	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8531	0.905	10	108.8531	0.819	10	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0615	0.009	2	109.0615	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	109.0130	0.000	1	109.0130	0.000	1	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8682	0.380	21	108.8682	0.145	21	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.9430	0.008	2	108.9430	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7242	0.934	44	108.7242	0.872	44	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]O)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6,6]O)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	107.0735	0.019	4	107.0735	0.000	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6,6]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.6710	0.000	1	108.6710	0.000	1	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4711	0.774	12	108.4711	0.599	12	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]C)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CC[6]C)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.4000	0.016	2	108.4000	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9594	0.373	14	108.9594	0.139	14	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1656	0.286	8	109.1656	0.082	8	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.6973	0.914	6	108.6973	0.835	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]I)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]I)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8425	0.193	4	108.8425	0.037	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7975	0.608	53	108.7975	0.369	53	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]N)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]N)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.5480	0.021	2	108.5480	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.4955	0.006	2	108.4955	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7322	0.115	5	108.7322	0.013	5	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.3750	0.000	1	109.3750	0.000	1	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.5150	0.847	26	109.5150	0.717	26	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	108.6550	0.058	4	108.6550	0.003	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	109.4128	0.544	4	109.4128	0.296	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.3430	0.008	2	109.3430	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]O)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.6403	0.248	6	108.6403	0.061	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]P)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]P)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3388	0.331	6	108.3388	0.109	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.2100	0.266	11	109.2100	0.071	11	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.3060	1.342	2	108.3060	1.801	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.1602	0.148	6	108.1602	0.022	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0762	0.974	33	109.0762	0.949	33	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9650	0.018	2	108.9650	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3805	0.028	2	108.3805	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7645	0.180	4	108.7645	0.032	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.6485	0.055	4	109.6485	0.003	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.9075	0.037	2	108.9075	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4447	0.153	4	109.4447	0.023	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCNP)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCNP)(H)2	H(CCCH)	108.8197	0.144	4	108.8197	0.021	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCNS)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCNS)(H)2	H(CCCH)	109.4290	0.011	2	109.4290	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7715	0.477	22	108.7715	0.227	22	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.5559	0.295	7	108.5559	0.087	7	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8748	0.733	58	108.8748	0.537	58	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.8800	0.020	2	108.8800	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	109.1507	0.388	3	109.1507	0.151	3	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	109.1840	0.008	2	109.1840	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	114.2630	2.093	2	114.2630	4.381	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	107.9620	0.249	4	107.9620	0.062	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CCdOO)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CCdOO)(CCHH)(H)2	H(CCCH)	109.2450	0.037	2	109.2450	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	109.5680	0.000	1	109.5680	0.000	1	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.7850	0.034	2	108.7850	0.001	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.8741	0.521	68	108.8741	0.271	68	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[4]O)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	C(CN[4]O)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	108.3123	0.234	4	108.3123	0.055	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.1668	2.209	6	107.1668	4.880	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	110.5400	0.165	2	110.5400	0.027	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.9145	0.059	2	109.9145	0.003	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	110.9550	4.748	2	110.9550	22.539	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0327	0.106	8	109.0327	0.011	8	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1523	0.501	17	109.1523	0.251	17	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	109.3040	0.040	2	109.3040	0.002	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	H(CCCH)	109.4100	0.011	2	109.4100	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.6065	0.161	10	108.6065	0.026	10	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	109.6766	1.185	36	109.6766	1.404	36	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	109.7545	0.009	2	109.7545	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	110.4755	0.006	2	110.4755	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]O)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.5588	0.084	4	109.5588	0.007	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]Rh)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5]Rh)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7640	0.008	2	108.7640	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]S)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CN[5]S)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	109.1845	0.012	2	109.1845	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5a]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3770	0.011	2	108.3770	0.000	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0343	0.202	8	109.0343	0.041	8	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6055	0.588	6	108.6055	0.346	6	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	109.5190	0.042	2	109.5190	0.002	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8441	0.710	8	108.8441	0.504	8	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	109.3060	2.244	2	109.3060	5.037	2	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.2020	0.086	4	109.2020	0.007	4	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CS[6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CS[6]C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3540	0.000	1	108.3540	0.000	1	108.9202	0.802	818	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[5a]O)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CC[5a]O)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.6325	0.040	2	109.6325	0.002	2	109.4747	0.239	20	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6]H)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CC[6]H)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	110.0280	0.008	4	110.0280	0.000	4	109.4747	0.239	20	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.2994	0.601	8	109.2994	0.361	8	109.4747	0.239	20	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CC[6a]O)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	109.2870	0.234	6	109.2870	0.055	6	109.4747	0.239	20	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CC[6a]O)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	C(CC[6a]O)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	109.3560	0.008	2	109.3560	0.000	2	109.3560	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CB[5,5]O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CB[5,5]O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.5030	0.242	6	108.5030	0.058	6	108.5545	0.051	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]O)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[5,6]O)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	108.7090	0.044	2	108.7090	0.002	2	108.5545	0.051	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5,6]O)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CN[5,6]O)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	108.7420	0.098	2	108.7420	0.010	2	108.7420	0.010	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[3]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]2)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	109.8210	6.389	2	109.8210	40.825	2	109.8210	40.825	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4,6]C[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	108.4245	0.021	2	108.4245	0.000	2	108.4563	0.079	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]P[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4]P[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	108.7830	0.006	2	108.7830	0.000	2	108.4563	0.079	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]N[4]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]N[4]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.1615	0.081	2	108.1615	0.007	2	108.4563	0.079	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[4]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2O)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2O)(CC[4]HH)(H)2	H(CC[4]CH)	109.1425	0.022	2	109.1425	0.000	2	109.0805	0.008	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[4]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2S)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2S)(CC[4]HH)(H)2	H(CC[4]CH)	109.0185	0.090	2	109.0185	0.008	2	109.0805	0.008	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	108.3420	0.737	4	108.3420	0.543	4	108.3420	0.543	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[4,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[4,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	107.8805	0.120	4	107.8805	0.014	4	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.3876	0.482	16	109.3876	0.232	16	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.6812	0.482	32	108.6812	0.232	32	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.6350	0.000	1	108.6350	0.000	1	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.4365	0.288	6	108.4365	0.083	6	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2550	0.239	2	108.2550	0.057	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6943	0.327	7	108.6943	0.107	7	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.8247	0.561	6	108.8247	0.315	6	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	108.7020	0.023	2	108.7020	0.001	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.5405	0.039	2	108.5405	0.002	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	109.0270	0.048	2	109.0270	0.002	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.2731	0.296	8	108.2731	0.087	8	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	109.3313	0.261	6	109.3313	0.068	6	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	H(CC[5]CH)	108.3170	0.034	2	108.3170	0.001	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.8557	0.535	35	108.8557	0.286	35	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHS)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHS)(H)2	H(CC[5]CH)	109.6935	0.015	2	109.6935	0.000	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[5]CH)	108.2080	0.017	2	108.2080	0.000	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[5]CH)	109.6340	0.025	2	109.6340	0.001	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CF3)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CF3)(H)2	H(CC[5]CH)	108.9163	0.103	3	108.9163	0.011	3	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.9478	1.493	40	108.9478	2.229	40	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	108.9950	1.553	2	108.9950	2.411	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.8570	0.008	2	108.8570	0.000	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	108.8240	0.072	2	108.8240	0.005	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.9224	0.401	73	108.9224	0.160	73	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	109.5405	0.267	4	109.5405	0.071	4	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	109.1575	0.011	2	109.1575	0.000	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CC[5]CH)	108.2050	0.033	2	108.2050	0.001	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	108.6091	0.735	15	108.6091	0.541	15	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.1570	0.220	3	109.1570	0.048	3	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHN)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHN)(H)2	H(CC[5]CH)	108.8310	0.048	2	108.8310	0.002	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]P[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]P[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.1320	0.023	2	108.1320	0.001	2	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]P[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]P[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.5985	0.505	4	108.5985	0.255	4	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]S[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]S[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6513	0.281	14	108.6513	0.079	14	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.9213	0.859	79	108.9213	0.738	79	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.9696	0.636	26	108.9696	0.404	26	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	109.0632	0.127	4	109.0632	0.016	4	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	108.9014	0.591	21	108.9014	0.349	21	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	109.8188	1.802	6	109.8188	3.246	6	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.7845	0.242	8	108.7845	0.059	8	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	109.2177	0.088	3	109.2177	0.008	3	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]S[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5]S[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.3965	0.268	4	108.3965	0.072	4	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]Se[5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]Se[5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.5835	0.495	16	108.5835	0.245	16	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]Si[5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]Si[5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.9860	0.000	1	108.9860	0.000	1	108.8667	0.560	475	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CHHN)(H)2	C(CC[5]HH)(NZnCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CHHN)(H)2	C(CC[5]HH)(NZnCC)(H)2	H(CC[5]CH)	108.6908	0.241	15	108.6908	0.058	15	108.9888	0.243	69	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCuCC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCuCC)(H)2	H(CC[5]CH)	108.8279	0.298	20	108.8279	0.089	20	108.9888	0.243	69	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCuHH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCuHH)(H)2	H(CC[5]CH)	109.0305	0.032	4	109.0305	0.001	4	108.9888	0.243	69	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NH3)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NH3)(H)2	H(CC[5]CH)	109.4912	0.481	20	109.4912	0.231	20	108.9888	0.243	69	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCoHH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCoHH)(H)2	H(CC[5]CH)	108.2115	0.137	4	108.2115	0.019	4	108.9888	0.243	69	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCuHH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NCuHH)(H)2	H(CC[5]CH)	109.0040	0.052	2	109.0040	0.003	2	108.9888	0.243	69	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NH3)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHN)(H)2	C(CC[5]HH)(NH3)(H)2	H(CC[5]CH)	109.1273	0.222	4	109.1273	0.049	4	108.9888	0.243	69	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHP)(H)2	C(CC[5]HH)(PO3)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHP)(H)2	C(CC[5]HH)(PO3)(H)2	H(CC[5]CH)	109.9733	0.827	6	109.9733	0.684	6	109.9733	0.684	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.5590	0.045	2	108.5590	0.002	2	108.5590	0.002	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	109.0925	0.067	2	109.0925	0.005	2	108.9813	1.796	24	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	109.3042	2.259	8	109.3042	5.105	8	108.9813	1.796	24	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.2273	0.052	3	108.2273	0.003	3	108.9813	1.796	24	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	109.5070	1.394	2	109.5070	1.944	2	108.9813	1.796	24	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	H(CC[5]CH)	108.9344	0.050	5	108.9344	0.003	5	108.9813	1.796	24	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	108.6410	0.069	4	108.6410	0.005	4	108.9813	1.796	24	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.1903	0.136	4	108.1903	0.018	4	108.6563	0.312	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.2943	0.105	8	108.2943	0.011	8	108.6563	0.312	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	H(CC[5]CH)	109.1805	0.011	2	109.1805	0.000	2	108.6563	0.312	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	H(CC[5]CH)	109.3555	0.338	4	109.3555	0.114	4	108.6563	0.312	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.1980	0.000	1	108.1980	0.000	1	108.6563	0.312	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	H(CC[5]CH)	109.4840	0.593	2	109.4840	0.351	2	108.6563	0.312	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	108.5155	0.039	2	108.5155	0.002	2	108.6563	0.312	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]B[5]C[5])(CHHP)(H)2	C(PC[6a]2O)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]B[5]C[5])(CHHP)(H)2	C(PC[6a]2O)(CC[5]HH)(H)2	H(CC[5]CH)	109.2406	0.395	7	109.2406	0.156	7	109.0900	0.362	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]2)(CHHP)(H)2	C(PC[6a]2Cu)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]2)(CHHP)(H)2	C(PC[6a]2Cu)(CC[5]HH)(H)2	H(CC[5]CH)	109.4898	0.180	6	109.4898	0.032	6	109.0900	0.362	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]2)(CHHP)(H)2	C(PC[6a]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]2)(CHHP)(H)2	C(PC[6a]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	109.6957	0.157	6	109.6957	0.025	6	109.0900	0.362	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2B)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2B)(CC[5]HH)(H)2	H(CC[5]CH)	108.3240	0.021	2	108.3240	0.000	2	109.0900	0.362	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Pd)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Pd)(CC[5]HH)(H)2	H(CC[5]CH)	108.6510	0.037	4	108.6510	0.001	4	109.0900	0.362	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CHHP)(H)2	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5]2)(CHHP)(H)2	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CC[5]CH)	108.1400	0.122	4	108.1400	0.015	4	109.0900	0.362	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CClCH)(H)2	C(CC[5a]HH)(CCHH)(Cl)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CClCH)(H)2	C(CC[5a]HH)(CCHH)(Cl)(H)	H(CC[5a]CH)	109.0450	0.008	2	109.0450	0.000	2	109.0450	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.8073	0.645	3	108.8073	0.416	3	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.8610	0.168	6	108.8610	0.028	6	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.8420	0.008	2	108.8420	0.000	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.5517	0.057	4	108.5517	0.003	4	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	108.7368	0.044	4	108.7368	0.002	4	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.6780	0.047	2	108.6780	0.002	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CBrHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CBrHH)(H)2	H(CC[5a]CH)	107.2470	0.081	2	107.2470	0.006	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.5999	0.705	47	108.5999	0.497	47	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.8754	0.289	5	108.8754	0.083	5	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CC[5a]CH)	108.4255	0.023	2	108.4255	0.001	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	108.9045	0.530	4	108.9045	0.281	4	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHS)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHS)(H)2	H(CC[5a]CH)	108.5695	0.022	2	108.5695	0.000	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	109.0655	0.032	2	109.0655	0.001	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.6805	0.416	4	108.6805	0.173	4	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	107.5803	0.217	4	107.5803	0.047	4	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.7554	0.903	233	108.7554	0.816	233	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5a]CH)	108.7150	0.037	2	108.7150	0.001	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[5a]CH)	108.3545	0.070	2	108.3545	0.005	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.8681	0.337	20	108.8681	0.113	20	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CC[5a]CH)	108.6680	0.130	4	108.6680	0.017	4	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	108.4133	0.827	12	108.4133	0.683	12	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]2C)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]2C)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.8044	0.827	20	108.8044	0.683	20	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.9334	0.524	100	108.9334	0.275	100	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[5a]CH)	108.6000	0.000	1	108.6000	0.000	1	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.8711	0.289	28	108.8711	0.083	28	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CC[5a]CH)	108.9820	0.251	12	108.9820	0.063	12	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	108.8973	0.692	19	108.8973	0.479	19	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)2(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)2(H)2	H(CC[5a]CH)	109.0179	1.253	12	109.0179	1.569	12	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	109.1320	1.414	18	109.1320	2.000	18	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHO)(H)2	H(CC[5a]CH)	108.0140	0.000	1	108.0140	0.000	1	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	109.3445	0.045	2	109.3445	0.002	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	109.6412	1.321	16	109.6412	1.744	16	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.6775	0.425	158	108.6775	0.181	158	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.5815	0.018	2	108.5815	0.000	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	C(CC[5a]HH)2(H)2	H(CC[5a]CH)	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	C(CC[5a]HH)2(H)2	H(CC[5a]CH)	108.2630	0.021	2	108.2630	0.000	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.7690	0.000	1	108.7690	0.000	1	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CBrHH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CBrHH)(H)2	H(CC[5a]CH)	108.5575	0.011	2	108.5575	0.000	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.6555	0.025	2	108.6555	0.001	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.7562	0.109	4	108.7562	0.012	4	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CC[5a]CH)	108.8617	0.163	11	108.8617	0.026	11	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.8650	0.010	2	108.8650	0.000	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.8904	0.259	5	108.8904	0.067	5	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.7778	1.074	41	108.7778	1.153	41	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5a]CH)	109.7430	1.502	6	109.7430	2.255	6	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.9726	0.419	40	108.9726	0.175	40	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)2(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)2(H)2	H(CC[5a]CH)	108.6494	0.089	8	108.6494	0.008	8	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CC[5a]CH)	108.3683	0.096	3	108.3683	0.009	3	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CClHH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CClHH)(H)2	H(CC[5a]CH)	109.3430	0.006	2	109.3430	0.000	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CC[5a]HH)(CH3)(H)2	H(CC[5a]CH)	108.5080	0.042	2	108.5080	0.002	2	108.7962	0.557	886	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NH3)(H)2	H(CC[5a]CH)	109.0495	0.052	2	109.0495	0.003	2	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NC3)(H)2	H(CC[5a]CH)	109.4059	0.275	10	109.4059	0.075	10	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCCH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCCH)(H)2	H(CC[5a]CH)	109.3196	0.343	27	109.3196	0.118	27	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCHH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NCHH)(H)2	H(CC[5a]CH)	109.1115	0.030	2	109.1115	0.001	2	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NH3)(H)2	H(CC[5a]CH)	108.1906	0.715	28	108.1906	0.511	28	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NPdCC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	C(CC[5a]HH)(NPdCC)(H)2	H(CC[5a]CH)	109.3479	1.630	12	109.3479	2.656	12	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NH3)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHHN)(H)2	C(CC[5a]HH)(NH3)(H)2	H(CC[5a]CH)	109.9550	0.533	2	109.9550	0.284	2	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C(CC[5a]HH)(NFeCC)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CHHN)(H)2	C(CC[5a]HH)(NFeCC)(H)2	H(CC[5a]CH)	109.3915	0.046	2	109.3915	0.002	2	108.9673	0.873	85	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.4640	0.572	6	108.4640	0.327	6	108.2992	0.202	12	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.2788	0.039	4	108.2788	0.002	4	108.2992	0.202	12	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	H(CC[5a]CH)	107.8460	0.072	2	107.8460	0.005	2	108.2992	0.202	12	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	H(CC[5a]CH)	107.8950	0.293	2	107.8950	0.086	2	109.4722	2.334	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	H(CC[5a]CH)	111.0665	2.621	4	111.0665	6.869	4	109.4722	2.334	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.4500	0.010	2	108.4500	0.000	2	109.4722	2.334	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.4552	0.415	8	109.4552	0.172	8	109.4722	2.334	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.9505	0.008	2	108.9505	0.000	2	109.4722	2.334	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CN[5]HH)(H)2	C(N[5]C[5]2Zn)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]N[5a]2)(CN[5]HH)(H)2	C(N[5]C[5]2Zn)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.4230	0.025	4	108.4230	0.001	4	108.4230	0.001	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.7330	0.106	6	108.7330	0.011	6	108.8524	0.057	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	H(CC[5a]CH)	109.2105	0.008	2	109.2105	0.000	2	108.8524	0.057	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2C)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2C)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.6630	0.024	2	108.6630	0.001	2	108.3570	0.125	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[5a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[5a]HH)(H)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[5a]HH)(H)2	H(CC[5a]CH)	108.0510	0.021	2	108.0510	0.000	2	108.3570	0.125	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C(CC[6,6]HH)(CH3)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C(CC[6,6]HH)(CH3)(H)2	H(CC[6,6]CH)	109.0175	1.668	2	109.0175	2.782	2	109.0175	2.782	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[4,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[4,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.0710	0.024	2	109.0710	0.001	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.2320	0.007	2	108.2320	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.0003	0.145	3	109.0003	0.021	3	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.1665	0.250	4	109.1665	0.063	4	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.0940	0.006	2	109.0940	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.8870	0.006	2	108.8870	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.0026	0.471	8	108.0026	0.222	8	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	111.6785	0.221	2	111.6785	0.049	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.9730	0.016	2	108.9730	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.0662	0.024	4	109.0662	0.001	4	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.0625	0.011	2	108.0625	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[6]CH)	109.9655	1.739	2	109.9655	3.023	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5a]CH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5a]CH)(CC[6]HH)(H)2	H(CC[6]CH)	109.0285	0.025	2	109.0285	0.001	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	108.8530	0.011	2	108.8530	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.6236	0.830	172	108.6236	0.689	172	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CC[6]CH)	109.1375	0.036	2	109.1375	0.001	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.1089	0.400	16	109.1089	0.160	16	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	108.8635	0.500	17	108.8635	0.250	17	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.8639	1.069	92	108.8639	1.142	92	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	108.7708	0.532	32	108.7708	0.283	32	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.7547	0.700	57	108.7547	0.490	57	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.6302	0.382	46	108.6302	0.146	46	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	108.5130	0.025	2	108.5130	0.001	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHP)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CHHP)(H)2	H(CC[6]CH)	109.4035	0.032	2	109.4035	0.001	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CSiHH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CSiHH)(H)2	H(CC[6]CH)	109.3600	0.031	2	109.3600	0.001	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.7080	0.330	10	108.7080	0.109	10	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.3574	1.043	8	109.3574	1.088	8	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.8395	0.275	4	108.8395	0.075	4	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	108.5175	0.041	4	108.5175	0.002	4	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6])(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	108.6695	0.050	2	108.6695	0.003	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.9995	0.040	4	108.9995	0.002	4	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]P[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.0100	0.010	2	109.0100	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]S[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]S[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.2405	0.012	2	108.2405	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.7930	0.000	1	108.7930	0.000	1	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.6160	0.004	2	108.6160	0.000	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.0965	0.047	2	109.0965	0.002	2	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.9048	0.476	80	108.9048	0.227	80	108.7802	0.576	600	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	H(CC[6]CH)	108.6795	1.184	2	108.6795	1.403	2	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	H(CC[6]CH)	108.9794	0.433	10	108.9794	0.188	10	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCHH)(H)2	H(CC[6]CH)	109.3746	0.533	11	109.3746	0.284	11	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCC)(H)2	H(CC[6]CH)	108.8825	0.553	20	108.8825	0.306	20	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCO)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCoCO)(H)2	H(CC[6]CH)	108.0593	0.258	4	108.0593	0.067	4	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCrCO)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCrCO)(H)2	H(CC[6]CH)	107.0228	0.669	4	107.0228	0.447	4	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	H(CC[6]CH)	108.7437	2.199	91	108.7437	4.837	91	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NCuCH)(H)2	H(CC[6]CH)	108.8637	0.307	7	108.8637	0.094	7	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCC)(H)2	H(CC[6]CH)	108.6881	0.787	8	108.6881	0.620	8	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NFeCH)(H)2	H(CC[6]CH)	108.2983	0.096	3	108.2983	0.009	3	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NH3)(H)2	H(CC[6]CH)	108.9445	0.761	6	108.9445	0.580	6	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NMnCH)(H)2	H(CC[6]CH)	109.3480	0.018	2	109.3480	0.000	2	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCC)(H)2	H(CC[6]CH)	108.4686	1.142	69	108.4686	1.305	69	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NNiCH)(H)2	H(CC[6]CH)	108.9657	0.575	7	108.9657	0.331	7	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NPtCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NPtCH)(H)2	H(CC[6]CH)	109.3080	0.031	2	109.3080	0.001	2	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReHH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NReHH)(H)2	H(CC[6]CH)	109.1985	0.006	2	109.1985	0.000	2	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRuCC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NRuCC)(H)2	H(CC[6]CH)	108.3438	1.120	29	108.3438	1.255	29	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCC)(H)2	H(CC[6]CH)	109.0671	1.418	12	109.0671	2.009	12	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(CC[6]HH)(NZnCH)(H)2	H(CC[6]CH)	108.5453	0.884	4	108.5453	0.781	4	108.6751	2.187	293	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi3)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHO)(H)2	C(CC[6]HH)(ONi3)(H)2	H(CC[6]CH)	108.5220	0.194	8	108.5220	0.037	8	108.5220	0.037	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(CC[6]HH)(PO3)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(CC[6]HH)(PO3)(H)2	H(CC[6]CH)	111.9423	1.637	4	111.9423	2.681	4	111.9423	2.681	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SO3)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHS)(H)2	C(CC[6]HH)(SO3)(H)2	H(CC[6]CH)	109.4585	0.015	2	109.4585	0.000	2	108.8254	0.331	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCu2C)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHS)(H)2	C(CC[6]HH)(SCu2C)(H)2	H(CC[6]CH)	108.6143	0.500	6	108.6143	0.250	6	108.8254	0.331	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	H(CC[6]CH)	109.3178	0.431	4	109.3178	0.186	4	109.3178	0.186	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	109.1785	0.046	2	109.1785	0.002	2	109.1785	0.002	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	107.6880	0.021	2	107.6880	0.000	2	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	H(CC[6]CH)	109.1005	0.025	2	109.1005	0.001	2	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.5946	0.084	8	108.5946	0.007	8	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	109.1183	0.417	4	109.1183	0.174	4	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	109.1030	0.016	2	109.1030	0.000	2	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.9680	0.058	2	108.9680	0.003	2	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	H(CC[6]CH)	108.9045	0.011	2	108.9045	0.000	2	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]O[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C(C[6]O[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.9407	0.181	3	108.9407	0.033	3	108.7832	0.181	25	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]CuC)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]CuC)(CC[6]HH)(H)2	H(CC[6]CH)	108.7880	0.303	4	108.7880	0.092	4	108.5926	0.207	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]NiC)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHN)(H)2	C(NC[6a]NiC)(CC[6]HH)(H)2	H(CC[6]CH)	108.3972	0.539	4	108.3972	0.291	4	108.5926	0.207	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	H(CC[6]CH)	108.5823	0.101	4	108.5823	0.010	4	108.5823	0.010	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Cu)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Cu)(CC[6]HH)(H)2	H(CC[6]CH)	109.3140	0.236	4	109.3140	0.056	4	109.2057	0.090	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Ni)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Ni)(CC[6]HH)(H)2	H(CC[6]CH)	108.8265	0.104	4	108.8265	0.011	4	109.2057	0.090	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(H)2	H(CC[6]CH)	108.9766	0.228	5	108.9766	0.052	5	109.2057	0.090	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]PdC)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6])(CHHP)(H)2	C(PC[6a]PdC)(CC[6]HH)(H)2	H(CC[6]CH)	109.4286	0.150	10	109.4286	0.022	10	109.2057	0.090	23	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	109.1095	0.021	2	109.1095	0.000	2	109.1095	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CBrCH)(Br)(H)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CBrCH)(Br)(H)	H(CC[6a]BrC)	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C(CC[6a]BrH)(CCHH)(H)2	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C(CC[6a]BrH)(CCHH)(H)2	H(CC[6a]BrC)	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C(CC[6a]ClH)(CHHO)(Br)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C(CC[6a]ClH)(CHHO)(Br)(H)	H(CC[6a]ClC)	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C(CC[6a]ClH)(CHHO)(Cl)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C(CC[6a]ClH)(CHHO)(Cl)(H)	H(CC[6a]ClC)	108.1520	0.066	2	108.1520	0.004	2	108.1520	0.004	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:P-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	H(CC[6a]ClC)	107.8820	0.000	1	107.8820	0.000	1	107.8820	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	H(CC[6a]ClC)	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:F-1:H-1:	B[5,5]-4:C-4:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	H(CC[6a]CF)	107.9755	1.030	2	107.9755	1.061	2	107.9755	1.061	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(F)(H)	C(CC[6a]FH)(CCFH)(F)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCFH)(F)(H)	C(CC[6a]FH)(CCFH)(F)(H)	H(CC[6a]CF)	108.9590	0.040	2	108.9590	0.002	2	108.9590	0.002	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.2560	0.252	4	108.2560	0.063	4	108.3582	0.063	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBHH)(H)2	C(BC[6a]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBHH)(H)2	C(BC[6a]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.5625	0.008	2	108.5625	0.000	2	108.3582	0.063	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	C(CC[6a]HH)(CCCO)(Br)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	C(CC[6a]HH)(CCCO)(Br)(H)	H(CC[6a]CH)	108.7147	0.046	4	108.7147	0.002	4	108.8743	0.036	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CCCO)(Br)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CCCO)(Br)(H)	H(CC[6a]CH)	108.9335	0.026	2	108.9335	0.001	2	108.8743	0.036	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CC[5]CO)(Br)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CC[5]CO)(Br)(H)	H(CC[6a]CH)	109.1340	0.010	2	109.1340	0.000	2	108.8743	0.036	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(H)2	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CClCH)(H)2	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	H(CC[6a]CH)	108.7570	0.031	2	108.7570	0.001	2	108.6567	0.007	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CClCH)(H)2	C(CC[6a]HH)(CHHO)(Cl)(H)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	C(CC[6a]HH)(CHHO)(Cl)(H)	H(CC[6a]CH)	108.6065	0.045	4	108.6065	0.002	4	108.6567	0.007	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(H)2	C(CC[6a]HH)(CBrHH)(F)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFF)(H)2	C(CC[6a]HH)(CBrHH)(F)2	H(CC[6a]CH)	109.0995	0.028	2	109.0995	0.001	2	109.0533	0.016	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(H)2	C(CC[6a]HH)(CCFF)(F)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFF)(H)2	C(CC[6a]HH)(CCFF)(F)2	H(CC[6a]CH)	109.0302	0.155	4	109.0302	0.024	4	109.0533	0.016	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(H)2	C(CC[6a]HH)(CHHN)(F)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFH)(H)2	C(CC[6a]HH)(CHHN)(F)(H)	H(CC[6a]CH)	106.5450	0.529	2	106.5450	0.280	2	107.2687	1.711	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(H)2	C(CC[6a]HH)(CHHO)(F)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCFH)(H)2	C(CC[6a]HH)(CHHO)(F)(H)	H(CC[6a]CH)	108.7160	0.000	1	108.7160	0.000	1	107.2687	1.711	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	109.0623	0.209	4	109.0623	0.044	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	109.0843	0.654	18	109.0843	0.428	18	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.7972	0.090	6	108.7972	0.008	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.9258	0.243	4	108.9258	0.059	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	107.7732	0.197	6	107.7732	0.039	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	109.1552	0.239	11	109.1552	0.057	11	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	109.2247	0.383	3	109.2247	0.147	3	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.9235	0.380	2	108.9235	0.144	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.5932	0.350	87	108.5932	0.122	87	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.9116	0.274	14	108.9116	0.075	14	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	106.3569	6.183	8	106.3569	38.235	8	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CC[6a]CH)	109.6995	0.028	2	109.6995	0.001	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.3691	0.215	8	108.3691	0.046	8	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	109.1570	0.300	2	109.1570	0.090	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.6133	0.240	20	108.6133	0.058	20	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.4615	0.011	2	108.4615	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	107.9960	0.014	2	107.9960	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.4955	0.952	19	108.4955	0.907	19	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	107.2262	1.284	6	107.2262	1.648	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CC[6a]CH)	107.7896	1.827	10	107.7896	3.338	10	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	108.8716	0.227	12	108.8716	0.052	12	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.6123	0.701	10	108.6123	0.492	10	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.6073	1.671	84	108.6073	2.792	84	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.7635	0.439	35	108.7635	0.193	35	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CC[6a]CH)	108.6375	0.053	2	108.6375	0.003	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CC[6a]CH)	108.5695	0.923	2	108.5695	0.852	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	109.0724	0.677	18	109.0724	0.458	18	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	106.8605	0.028	2	106.8605	0.001	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,5]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,5]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.5690	0.016	2	108.5690	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,6]HN)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,6]HN)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.3983	0.145	4	108.3983	0.021	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.6955	0.013	2	108.6955	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.4665	0.385	4	108.4665	0.148	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]HN)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]HN)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9597	0.018	4	108.9597	0.000	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.1768	0.490	6	108.1768	0.240	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2640	0.308	26	109.2640	0.095	26	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CC)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CC)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8475	0.304	20	108.8475	0.092	20	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4078	0.258	5	109.4078	0.067	5	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CBHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CBHH)(H)2	H(CC[6a]CH)	108.9175	0.025	2	108.9175	0.001	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CB[5]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CB[5]CH)(H)2	H(CC[6a]CH)	109.3230	0.172	6	109.3230	0.030	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC3)(H)2	H(CC[6a]CH)	109.3723	0.097	6	109.3723	0.009	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCH)(H)2	H(CC[6a]CH)	108.8411	0.892	20	108.8411	0.795	20	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCN)(H)2	H(CC[6a]CH)	109.1200	0.457	8	109.1200	0.209	8	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCO)(H)2	H(CC[6a]CH)	108.9817	0.547	15	108.9817	0.299	15	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.6480	0.755	787	108.6480	0.570	787	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHN)(H)2	H(CC[6a]CH)	108.9492	0.378	57	108.9492	0.143	57	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHO)(H)2	H(CC[6a]CH)	108.9108	0.866	26	108.9108	0.751	26	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHS)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHS)(H)2	H(CC[6a]CH)	109.0087	0.136	3	109.0087	0.019	3	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[3]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[3]HH)(H)2	H(CC[6a]CH)	108.4225	0.203	2	108.4225	0.041	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]CH)(H)2	H(CC[6a]CH)	109.5060	0.000	1	109.5060	0.000	1	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[6a]CH)	109.1801	0.975	28	109.1801	0.950	28	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HN)(H)2	H(CC[6a]CH)	110.4060	1.754	2	110.4060	3.075	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]CC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]CC)(H)2	H(CC[6a]CH)	109.3545	0.015	2	109.3545	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6a]CH)	109.2243	0.115	6	109.2243	0.013	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6a]CH)	108.5414	0.732	40	108.5414	0.536	40	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HN)(H)2	H(CC[6a]CH)	108.6520	0.007	2	108.6520	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HO)(H)2	H(CC[6a]CH)	108.6480	0.405	4	108.6480	0.164	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]HN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]HN)(H)2	H(CC[6a]CH)	108.6142	0.535	4	108.6142	0.286	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]HS)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]HS)(H)2	H(CC[6a]CH)	108.3713	0.249	4	108.3713	0.062	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CClCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CClCC)(H)2	H(CC[6a]CH)	108.9023	0.063	3	108.9023	0.004	3	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CClHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CClHH)(H)2	H(CC[6a]CH)	108.6550	0.389	6	108.6550	0.151	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.4641	1.419	118	108.4641	2.015	118	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CC[6a]CH)	108.8483	0.644	63	108.8483	0.414	63	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CC[6a]CH)	108.8529	0.376	34	108.8529	0.142	34	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHP)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHP)(H)2	H(CC[6a]CH)	109.0540	0.018	2	109.0540	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHNO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHNO)(H)2	H(CC[6a]CH)	108.4035	0.049	2	108.4035	0.002	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHNP)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHNP)(H)2	H(CC[6a]CH)	108.9050	0.006	2	108.9050	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CIIN)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CIIN)(H)2	H(CC[6a]CH)	109.5635	0.019	2	109.5635	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CLiBH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CLiBH)(H)2	H(CC[6a]CH)	108.8597	0.132	4	108.8597	0.017	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[4]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[4]CH)(H)2	H(CC[6a]CH)	109.5725	0.060	2	109.5725	0.004	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]CH)(H)2	H(CC[6a]CH)	107.6223	0.257	3	107.6223	0.066	3	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CC[6a]CH)	108.5897	0.741	15	108.5897	0.549	15	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]CC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]CC)(H)2	H(CC[6a]CH)	109.7705	0.070	4	109.7705	0.005	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]CH)(H)2	H(CC[6a]CH)	108.7425	0.524	6	108.7425	0.274	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CC[6a]CH)	108.8552	0.399	18	108.8552	0.159	18	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]CH)(H)2	H(CC[6a]CH)	109.0280	7.193	2	109.0280	51.735	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	H(CC[6a]CH)	109.0541	0.273	23	109.0541	0.074	23	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]CH)(H)2	H(CC[6a]CH)	108.1990	0.021	2	108.1990	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CC[6a]CH)	109.1885	0.265	6	109.1885	0.070	6	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CNiHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CNiHH)(H)2	H(CC[6a]CH)	109.0590	0.000	1	109.0590	0.000	1	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(COsHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(COsHH)(H)2	H(CC[6a]CH)	108.8115	0.454	4	108.8115	0.206	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CP[4]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CP[4]HH)(H)2	H(CC[6a]CH)	108.8250	0.303	4	108.8250	0.092	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CPtCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CPtCH)(H)2	H(CC[6a]CH)	108.7262	0.421	4	108.7262	0.177	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CSiHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CSiHH)(H)2	H(CC[6a]CH)	108.3935	2.092	2	108.3935	4.378	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	108.2519	1.727	346	108.2519	2.983	346	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.6085	0.018	2	108.6085	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)2	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.3585	0.028	2	108.3585	0.001	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]2O)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]2O)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.3500	0.041	2	108.3500	0.002	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCCH)(H)2	H(CC[6a]CH)	111.0830	5.363	2	111.0830	28.759	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.8528	0.632	78	108.8528	0.399	78	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6a]CH)	108.7085	0.016	2	108.7085	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.5488	0.474	19	108.5488	0.225	19	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)2(H)2	H(CC[6a]CH)	109.5785	0.022	2	109.5785	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.9930	0.893	4	108.9930	0.797	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	109.0821	0.198	8	109.0821	0.039	8	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]S[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]S[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.5015	0.018	2	108.5015	0.000	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.5970	0.030	2	108.5970	0.001	2	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CC[6a]CH)	108.6882	0.282	8	108.6882	0.080	8	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.8452	0.129	5	108.8452	0.017	5	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	108.9060	0.084	4	108.9060	0.007	4	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CH3)(H)2	H(CC[6a]CH)	109.1127	0.685	10	109.1127	0.469	10	108.6404	1.219	2327	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CCHI)(H)2	C(CC[6a]HH)(CCHH)(H)(I)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHI)(H)2	C(CC[6a]HH)(CCHH)(H)(I)	H(CC[6a]CH)	109.1800	0.055	2	109.1800	0.003	2	109.1800	0.003	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Ge-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CGeHH)(H)2	C(CC[6a]HH)(GeCl2C)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CGeHH)(H)2	C(CC[6a]HH)(GeCl2C)(H)2	H(CC[6a]CH)	108.4878	0.334	4	108.4878	0.112	4	108.4878	0.112	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCCH)(H)2	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C(CC[6a]HH)(NCCH)(H)2	H(CC[6a]CH)	107.7260	3.726	3	107.7260	13.887	3	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NBiCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NBiCC)(H)2	H(CC[6a]CH)	109.2992	0.384	11	109.2992	0.147	11	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NC3)(H)2	H(CC[6a]CH)	109.6293	0.148	6	109.6293	0.022	6	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCCH)(H)2	H(CC[6a]CH)	109.8880	0.000	1	109.8880	0.000	1	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(CC[6a]CH)	109.0473	0.977	19	109.0473	0.954	19	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCaCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCaCC)(H)2	H(CC[6a]CH)	109.7875	0.062	2	109.7875	0.004	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCdHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCdHH)(H)2	H(CC[6a]CH)	108.9302	0.215	6	108.9302	0.046	6	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCuCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCuCC)(H)2	H(CC[6a]CH)	109.0939	0.583	14	109.0939	0.340	14	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCuHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NCuHH)(H)2	H(CC[6a]CH)	109.0629	0.459	10	109.0629	0.210	10	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NH3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NH3)(H)2	H(CC[6a]CH)	109.0685	1.045	241	109.0685	1.092	241	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NIrHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NIrHH)(H)2	H(CC[6a]CH)	108.2640	0.000	1	108.2640	0.000	1	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NLiCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NLiCC)(H)2	H(CC[6a]CH)	109.5025	0.037	2	109.5025	0.001	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NNiCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NNiCC)(H)2	H(CC[6a]CH)	112.0087	5.113	4	112.0087	26.144	4	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdCC)(H)2	H(CC[6a]CH)	108.4210	0.055	2	108.4210	0.003	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdCH)(H)2	H(CC[6a]CH)	109.5512	0.423	5	109.5512	0.179	5	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPdHH)(H)2	H(CC[6a]CH)	109.0238	0.456	20	109.0238	0.208	20	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPtCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPtCC)(H)2	H(CC[6a]CH)	108.8475	0.011	2	108.8475	0.000	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPtCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NPtCH)(H)2	H(CC[6a]CH)	108.9190	0.008	2	108.9190	0.000	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NZnHH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHN)(H)2	C(CC[6a]HH)(NZnHH)(H)2	H(CC[6a]CH)	108.3030	0.024	2	108.3030	0.001	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCuCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NCuCC)(H)2	H(CC[6a]CH)	109.9290	0.045	2	109.9290	0.002	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NMnCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NMnCH)(H)2	H(CC[6a]CH)	108.7833	0.067	3	108.7833	0.005	3	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NPdCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NPdCC)(H)2	H(CC[6a]CH)	107.5685	0.029	2	107.5685	0.001	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NZnCH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHN)(H)2	C(CC[6a]HH)(NZnCH)(H)2	H(CC[6a]CH)	108.9930	0.052	2	108.9930	0.003	2	109.0981	1.254	362	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	C(CC[6a]HH)(PO3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	C(CC[6a]HH)(PO3)(H)2	H(CC[6a]CH)	108.9131	0.588	7	108.9131	0.346	7	109.0671	0.249	27	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PBCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PBCC)(H)2	H(CC[6a]CH)	109.1123	0.062	3	109.1123	0.004	3	109.0671	0.249	27	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PCCO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PCCO)(H)2	H(CC[6a]CH)	108.7430	0.367	4	108.7430	0.134	4	109.0671	0.249	27	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PC[6]BC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PC[6]BC)(H)2	H(CC[6a]CH)	108.8565	0.049	2	108.8565	0.002	2	109.0671	0.249	27	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PRhCC)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PRhCC)(H)2	H(CC[6a]CH)	109.6076	0.183	7	109.6076	0.034	7	109.0671	0.249	27	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PSe2C)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C(CC[6a]HH)(PSe2C)(H)2	H(CC[6a]CH)	108.7862	0.494	4	108.7862	0.244	4	109.0671	0.249	27	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CFHS)(H)2	C(CC[6a]HH)(SC[6a]NO)(F)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CFHS)(H)2	C(CC[6a]HH)(SC[6a]NO)(F)(H)	H(CC[6a]CH)	109.7390	0.000	1	109.7390	0.000	1	109.7390	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC[6a]OO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SC[6a]OO)(H)2	H(CC[6a]CH)	109.5142	0.225	6	109.5142	0.051	6	109.3743	0.061	15	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SNOO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SNOO)(H)2	H(CC[6a]CH)	109.2150	0.000	1	109.2150	0.000	1	109.3743	0.061	15	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SN[6]OO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SN[6]OO)(H)2	H(CC[6a]CH)	109.1685	0.008	2	109.1685	0.000	2	109.3743	0.061	15	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SO3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(CC[6a]HH)(SO3)(H)2	H(CC[6a]CH)	109.2995	0.341	4	109.2995	0.116	4	109.3743	0.061	15	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHS)(H)2	C(CC[6a]HH)(SCOO)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CHHS)(H)2	C(CC[6a]HH)(SCOO)(H)2	H(CC[6a]CH)	109.3900	0.010	2	109.3900	0.000	2	109.3743	0.061	15	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CSiHH)(H)2	C(CC[6a]HH)(SiC3)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiHH)(H)2	C(CC[6a]HH)(SiC3)(H)2	H(CC[6a]CH)	108.8995	0.329	2	108.8995	0.108	2	109.1581	0.056	7	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CSiHH)(H)2	C(CC[6a]HH)(SiCFF)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiHH)(H)2	C(CC[6a]HH)(SiCFF)(H)2	H(CC[6a]CH)	109.2616	0.098	5	109.2616	0.010	5	109.1581	0.056	7	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1470	0.205	2	109.1470	0.042	2	109.1470	0.042	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HH)(H)2	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HH)(H)2	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.6460	0.010	2	109.6460	0.000	2	109.2973	0.365	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HH)(H)2	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HH)(H)2	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.6000	0.000	1	108.6000	0.000	1	109.2973	0.365	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1996	0.062	8	109.1996	0.004	8	109.1996	0.004	8	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	C(C[4,6]C[4,6]2C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	C(C[4,6]C[4,6]2C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8750	0.641	4	108.8750	0.411	4	108.8750	0.411	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(Cl)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(Cl)(H)	H(CC[6a]CH)	109.0845	0.018	2	109.0845	0.000	2	109.0845	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]B[4]C[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]B[4]C[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.4265	0.026	2	108.4265	0.001	2	108.6301	0.443	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4,5]C[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4,5]C[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.1656	0.794	7	108.1656	0.630	7	108.6301	0.443	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1830	0.030	2	109.1830	0.001	2	108.6301	0.443	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]N[4]C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]N[4]C)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8997	0.401	4	108.8997	0.160	4	108.6301	0.443	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0345	0.021	2	109.0345	0.000	2	108.6301	0.443	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]O[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]HH)(H)2	C(C[4]C[4]O[4]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2960	0.000	1	109.2960	0.000	1	108.6301	0.443	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1900	0.030	2	109.1900	0.001	2	109.1900	0.001	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	H(CC[6a]CH)	108.7880	0.030	2	108.7880	0.001	2	108.7880	0.001	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0302	0.027	4	109.0302	0.001	4	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9360	0.031	2	108.9360	0.001	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0810	0.000	1	109.0810	0.000	1	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.4610	0.054	2	108.4610	0.003	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.5530	0.008	2	109.5530	0.000	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0340	0.000	1	109.0340	0.000	1	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.6513	0.769	3	108.6513	0.592	3	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9130	0.313	8	108.9130	0.098	8	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4292	0.595	4	109.4292	0.354	4	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.6050	0.020	2	109.6050	0.000	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Mo)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Mo)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.9055	0.012	2	109.9055	0.000	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.6805	0.023	2	109.6805	0.001	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2500	0.018	2	109.2500	0.000	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1267	0.362	23	109.1267	0.131	23	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.3585	0.016	2	109.3585	0.000	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.6250	0.564	8	108.6250	0.318	8	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.1735	1.539	2	108.1735	2.370	2	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1128	0.050	4	109.1128	0.002	4	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.5290	0.164	3	109.5290	0.027	3	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7540	0.000	1	108.7540	0.000	1	109.0739	0.259	78	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:O-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C(C[5]C[5]2Fe)(CC[6a]HH)(H)(O)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C(C[5]C[5]2Fe)(CC[6a]HH)(H)(O)	H(CC[6a]CH)	108.4100	0.085	2	108.4100	0.007	2	108.4100	0.007	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2140	0.027	2	109.2140	0.001	2	109.1243	0.011	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0345	0.023	2	109.0345	0.001	2	109.1243	0.011	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]BrH)(H)2	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]BrH)(H)2	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	H(CC[6a]CH)	108.8155	0.026	2	108.8155	0.001	2	108.8155	0.001	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]FH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]FH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	H(CC[6a]CH)	108.5960	0.840	2	108.5960	0.706	2	108.5960	0.706	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8427	0.121	3	108.8427	0.015	3	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1895	0.015	2	109.1895	0.000	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9262	0.172	6	108.9262	0.030	6	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.5523	0.197	3	108.5523	0.039	3	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.5130	0.010	2	109.5130	0.000	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0170	0.040	2	109.0170	0.002	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	111.4620	2.790	2	111.4620	7.785	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	110.4510	2.148	2	110.4510	4.615	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7680	0.020	2	108.7680	0.000	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0355	0.468	21	109.0355	0.219	21	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8332	0.091	6	108.8332	0.008	6	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9173	0.705	12	108.9173	0.496	12	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.8175	0.406	25	108.8175	0.165	25	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7585	0.006	2	108.7585	0.000	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.5635	0.009	2	108.5635	0.000	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0570	0.033	2	109.0570	0.001	2	108.9946	0.493	94	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[5]HH)(H)2	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9120	0.006	2	108.9120	0.000	2	108.9120	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.8840	0.023	2	109.8840	0.001	2	109.2217	0.134	32	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4423	0.158	4	109.4423	0.025	4	109.2217	0.134	32	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1066	0.357	8	109.1066	0.127	8	109.2217	0.134	32	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2O)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2O)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2165	0.032	2	109.2165	0.001	2	109.2217	0.134	32	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]N[6a]2)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1420	0.356	16	109.1420	0.127	16	109.2217	0.134	32	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(H)2	C(PC[6a]2Fe)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHP)(H)2	C(PC[6a]2Fe)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.4717	0.031	3	109.4717	0.001	3	109.4717	0.001	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(H)2	C(SC[6a]PdO)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHHS)(H)2	C(SC[6a]PdO)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2315	0.126	4	109.2315	0.016	4	109.2315	0.016	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:O-1:	C-4:C-4:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C(CC[6a]HO)2(Cl)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C(CC[6a]HO)2(Cl)2	H(CC[6a]CO)	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]HO)(CCFH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]HO)(CCFH)(H)2	H(CC[6a]CO)	107.9557	0.318	3	107.9557	0.101	3	108.2133	0.333	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	108.9860	0.000	1	108.9860	0.000	1	108.2133	0.333	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(NC[6a]C)(CBrCH)(H)2	C(CC[6a]BrC)(CHHN)(Br)(H)	H(CCHN)	C(NC[6a]C)(CBrCH)(H)2	C(CC[6a]BrC)(CHHN)(Br)(H)	H(CCHN)	108.2600	0.010	2	108.2600	0.000	2	108.7505	0.321	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(NC[6a]S)(CBrCH)(H)2	C(CCHN)(CHHN)(Br)(H)	H(CCHN)	C(NC[6a]S)(CBrCH)(H)2	C(CCHN)(CHHN)(Br)(H)	H(CCHN)	109.2410	0.028	2	109.2410	0.001	2	108.7505	0.321	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(NC[6a]H)(CCFH)(H)2	C(CN[5a]HH)(CHHN)(F)(H)	H(CCHN)	C(NC[6a]H)(CCFH)(H)2	C(CN[5a]HH)(CHHN)(F)(H)	H(CCHN)	108.9525	0.018	2	108.9525	0.000	2	108.9525	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NB[5]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NB[5]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	108.9545	0.059	2	108.9545	0.003	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NB[5]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NB[5]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.0840	0.000	1	109.0840	0.000	1	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NB[5a]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NB[5a]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3263	0.093	4	109.3263	0.009	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[3]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[3]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.9383	0.099	17	108.9383	0.010	17	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[3]C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[3]C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.3115	0.009	2	108.3115	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[3]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[3]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2635	0.005	2	109.2635	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[3]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[3]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9377	0.527	4	108.9377	0.277	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[3x6]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[3x6]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	108.9110	0.035	2	108.9110	0.001	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[4]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[4]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9573	0.295	6	108.9573	0.087	6	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[4]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[4]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.3540	0.096	4	109.3540	0.009	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9881	0.342	8	108.9881	0.117	8	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7740	0.000	1	108.7740	0.000	1	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]C)(CCHH)(H)2	C(CC[5]HO)(CHHN)(H)2	H(CCHN)	C(NC[5]C)(CCHH)(H)2	C(CC[5]HO)(CHHN)(H)2	H(CCHN)	107.7915	0.062	2	107.7915	0.004	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2093	0.692	23	109.2093	0.479	23	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	109.4750	0.017	2	109.4750	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[5]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.7935	0.016	2	108.7935	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[5]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.5155	0.115	4	109.5155	0.013	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]O)(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CCHN)	C(NC[5]O)(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CCHN)	108.4742	1.531	4	108.4742	2.345	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[5]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1755	0.022	2	109.1755	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1170	0.582	29	109.1170	0.339	29	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NC[5a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	110.7300	0.021	2	110.7300	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.5250	1.161	17	109.5250	1.348	17	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[5a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	108.9060	0.000	1	108.9060	0.000	1	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9502	0.377	5	108.9502	0.142	5	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5a]S)(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	C(NC[5a]S)(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	108.1150	0.014	2	108.1150	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[5a]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8575	0.025	2	108.8575	0.001	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6,6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6,6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1685	0.278	4	109.1685	0.077	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(NC[6]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	109.6325	0.012	2	109.6325	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7771	0.365	28	108.7771	0.133	28	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]C)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NC[6]C)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	108.2260	0.219	6	108.2260	0.048	6	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2798	0.682	46	109.2798	0.465	46	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	108.8820	0.656	3	108.8820	0.431	3	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	109.3517	0.109	4	109.3517	0.012	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2380	0.277	2	109.2380	0.077	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.2027	0.259	7	109.2027	0.067	7	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	109.2275	0.023	2	109.2275	0.001	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0468	0.088	4	109.0468	0.008	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NC[6]H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.1415	0.030	2	109.1415	0.001	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]Hf)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6]Hf)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9290	0.049	2	108.9290	0.002	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]O)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6]O)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1840	0.016	2	109.1840	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6]S)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8805	0.018	2	108.8805	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9534	0.116	5	108.9534	0.013	5	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6a]2)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.0005	0.131	10	109.0005	0.017	10	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]2)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2899	0.257	23	109.2899	0.066	23	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	108.8835	0.108	2	108.8835	0.012	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.4867	0.519	7	109.4867	0.269	7	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9717	0.784	242	108.9717	0.615	242	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CCHN)	108.9047	0.042	6	108.9047	0.002	6	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	108.1484	0.891	16	108.1484	0.793	16	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	H(CCHN)	109.1535	0.011	2	109.1535	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CClHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CClHH)(CHHN)(H)2	H(CCHN)	109.5705	0.053	2	109.5705	0.003	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.9049	0.387	69	108.9049	0.150	69	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.3595	0.009	2	109.3595	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.8703	0.540	14	108.8703	0.292	14	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9062	1.048	45	108.9062	1.099	45	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	108.6875	0.013	2	108.6875	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Cu)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]Cu)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	107.9135	2.058	4	107.9135	4.235	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3795	0.828	132	109.3795	0.686	132	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]2H)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]2H)(CHHN)(H)2	H(CCHN)	109.6780	0.072	2	109.6780	0.005	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	109.1375	0.015	2	109.1375	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8944	0.408	49	108.8944	0.167	49	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	110.2808	0.615	12	110.2808	0.378	12	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9907	0.549	14	108.9907	0.302	14	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	108.9995	0.078	4	108.9995	0.006	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Mg)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6a]Mg)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.5920	0.058	4	108.5920	0.003	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Pb)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]Pb)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9707	0.164	4	108.9707	0.027	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Pt)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]Pt)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.6730	0.074	2	109.6730	0.005	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Re)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]Re)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0973	0.364	4	109.0973	0.133	4	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.0797	0.178	6	109.0797	0.032	6	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	109.0327	0.254	11	109.0327	0.064	11	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	H(CCHN)	109.3910	0.008	2	109.3910	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.8660	0.042	2	108.8660	0.002	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]S)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	110.5548	1.723	12	110.5548	2.968	12	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Sn)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]Sn)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.8068	0.159	25	108.8068	0.025	25	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Zn)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6a]Zn)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.7047	0.153	6	108.7047	0.023	6	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMgSi)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMgSi)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4605	0.106	8	108.4605	0.011	8	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.6257	0.701	8	109.6257	0.491	8	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NP[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NP[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.0214	0.183	9	109.0214	0.033	9	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NP[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NP[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2660	0.006	2	109.2660	0.000	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NP[6]H)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(NP[6]H)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	109.2960	0.024	2	109.2960	0.001	2	109.0718	0.567	1039	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(NC[6a]S)(CCHI)(H)2	C(CHHN)(CH3)(H)(I)	H(CCHN)	C(NC[6a]S)(CCHI)(H)2	C(CHHN)(CH3)(H)(I)	H(CCHN)	109.0840	0.008	2	109.0840	0.000	2	109.0840	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[4]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(NC[4]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.0114	0.110	5	109.0114	0.012	5	109.3732	1.027	48	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	108.3240	0.017	2	108.3240	0.000	2	109.3732	1.027	48	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(NC[4a]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.1520	0.013	2	109.1520	0.000	2	109.3732	1.027	48	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(NC[6]H)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	108.5442	0.404	6	108.5442	0.163	6	109.3732	1.027	48	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	110.2028	0.764	20	110.2028	0.584	20	109.3732	1.027	48	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	107.8803	1.174	4	107.8803	1.378	4	109.3732	1.027	48	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	109.2293	0.528	9	109.2293	0.279	9	109.3732	1.027	48	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(NC[6a]Co)(CHHP)(H)2	C(CHHN)(PCCN)(H)2	H(CCHN)	C(NC[6a]Co)(CHHP)(H)2	C(CHHN)(PCCN)(H)2	H(CCHN)	109.0800	0.035	2	109.0800	0.001	2	109.0800	0.001	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAlSi)(CHHN)(H)2	C(NAlSiC)(CHHN)(H)2	H(CCHN)	C(NAlSi)(CHHN)(H)2	C(NAlSiC)(CHHN)(H)2	H(CCHN)	108.5555	1.512	4	108.5555	2.287	4	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Co)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Co)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	110.1387	1.241	14	110.1387	1.541	14	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Cr)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Cr)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	109.9983	0.076	6	109.9983	0.006	6	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Cu)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Cu)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	110.1490	0.053	5	110.1490	0.003	5	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Fe)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Fe)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	108.4565	1.983	8	108.4565	3.933	8	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Mn)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Mn)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	109.8506	1.374	8	109.8506	1.889	8	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Ni)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Ni)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	109.9126	0.129	5	109.9126	0.017	5	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Pd)(CHHN)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Pd)(CHHN)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	109.3540	0.014	2	109.3540	0.000	2	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Pt)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Pt)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	110.6565	0.053	2	110.6565	0.003	2	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]Zn)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Zn)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	109.6450	0.321	11	109.6450	0.103	11	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]Al)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	C(NC[6]Al)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	110.2781	0.122	11	110.2781	0.015	11	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]Co)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(NC[6]Co)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	110.0779	0.156	34	110.0779	0.024	34	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]Cu)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(NC[6]Cu)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	109.7598	0.139	6	109.7598	0.019	6	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]Fe)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(NC[6]Fe)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	110.0142	0.108	12	110.0142	0.012	12	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]Ni)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(NC[6]Ni)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	110.3040	0.143	4	110.3040	0.020	4	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Al)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]Al)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	109.9526	0.936	22	109.9526	0.875	22	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	109.4970	0.017	2	109.4970	0.000	2	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]H)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	110.2050	0.000	1	110.2050	0.000	1	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Ir)(CHHN)(H)2	C(NIrCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]Ir)(CHHN)(H)2	C(NIrCC)(CHHN)(H)2	H(CCHN)	110.2045	0.089	4	110.2045	0.008	4	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Mo)(CHHN)(H)2	C(NMoCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]Mo)(CHHN)(H)2	C(NMoCC)(CHHN)(H)2	H(CCHN)	110.2499	0.102	11	110.2499	0.010	11	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Ni)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]Ni)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	110.6663	0.200	10	110.6663	0.040	10	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Pb)(CHHN)(H)2	C(NC[6a]Pb2)(CHHN)(H)2	H(CCHN)	C(NC[6a]Pb)(CHHN)(H)2	C(NC[6a]Pb2)(CHHN)(H)2	H(CCHN)	109.7210	0.000	1	109.7210	0.000	1	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Re)(CHHN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]Re)(CHHN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	110.3390	0.257	4	110.3390	0.066	4	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Sn)(CHHN)(H)2	C(NC[6a]Sn2)(CHHN)(H)2	H(CCHN)	C(NC[6a]Sn)(CHHN)(H)2	C(NC[6a]Sn2)(CHHN)(H)2	H(CCHN)	109.8775	0.042	2	109.8775	0.002	2	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Sn)(CHHN)(H)2	C(NSn2C)(CHHN)(H)2	H(CCHN)	C(NC[6a]Sn)(CHHN)(H)2	C(NSn2C)(CHHN)(H)2	H(CCHN)	109.7973	0.078	3	109.7973	0.006	3	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Sn)(CHHN)(H)2	C(NSnCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]Sn)(CHHN)(H)2	C(NSnCC)(CHHN)(H)2	H(CCHN)	109.8412	0.336	5	109.8412	0.113	5	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Zn)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]Zn)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	109.6936	0.299	14	109.6936	0.090	14	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrSi)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	C(NCrSi)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	109.8690	0.072	5	109.8690	0.005	5	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSiSn)(CHHN)(H)2	C(NSnCC)(CHHN)(H)2	H(CCHN)	C(NSiSn)(CHHN)(H)2	C(NSnCC)(CHHN)(H)2	H(CCHN)	109.5643	0.083	8	109.5643	0.007	8	109.9289	0.593	224	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Al)(CN[6]HH)(H)2	C(N[6]C[6]2Al)(CHHN)(H)2	H(CCHN)	C(NC[6a]Al)(CN[6]HH)(H)2	C(N[6]C[6]2Al)(CHHN)(H)2	H(CCHN)	110.2007	0.129	4	110.2007	0.017	4	110.2007	0.017	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[5]Co)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	C(NC[5]Co)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	109.9970	0.023	2	109.9970	0.001	2	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[5]Co)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	C(NC[5]Co)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	109.7675	0.023	2	109.7675	0.001	2	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[5]Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	C(NC[5]Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	109.6435	0.233	4	109.6435	0.055	4	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	C(NC[6]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	108.8095	0.086	4	108.8095	0.007	4	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CHHP)(H)2	C(PC[6]2Co)(CHHN)(H)2	H(CCHN)	C(NC[6]H)(CHHP)(H)2	C(PC[6]2Co)(CHHN)(H)2	H(CCHN)	110.1330	0.000	1	110.1330	0.000	1	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6]Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	C(NC[6]Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	109.4365	0.012	2	109.4365	0.000	2	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]2)(CHHP)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	H(CCHN)	C(NC[6a]2)(CHHP)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	H(CCHN)	109.5415	0.059	2	109.5415	0.003	2	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	108.6153	0.059	3	108.6153	0.004	3	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	C(NC[6a]C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	108.9235	0.079	4	108.9235	0.006	4	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	C(NC[6a]Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	109.5535	0.011	2	109.5535	0.000	2	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCoSi)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	C(NCoSi)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	109.3455	0.033	2	109.3455	0.001	2	109.3131	0.223	28	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4,5]C[4])(CCHH)(H)2	C(CN[4]HH)(CH3)(H)2	H(CN[4]CH)	C(N[4]C[4,5]C[4])(CCHH)(H)2	C(CN[4]HH)(CH3)(H)2	H(CN[4]CH)	108.9417	0.475	4	108.9417	0.226	4	108.9502	0.130	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4,6]C[4])(CCHH)(H)2	C(CN[4]HH)(CH3)(H)2	H(CN[4]CH)	C(N[4]C[4,6]C[4])(CCHH)(H)2	C(CN[4]HH)(CH3)(H)2	H(CN[4]CH)	109.3425	0.009	2	109.3425	0.000	2	108.9502	0.130	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CN[4]CH)	108.8953	0.475	4	108.8953	0.226	4	108.9502	0.130	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CH3)(H)2	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CH3)(H)2	H(CN[4]CH)	109.1505	0.037	4	109.1505	0.001	4	108.9502	0.130	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CN[6]HH)(H)2	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)(CN[6]HH)(H)2	H(CN[4]CH)	108.6717	0.239	3	108.6717	0.057	3	108.9502	0.130	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)2(H)2	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)2(H)2	H(CN[4]CH)	108.8700	0.386	16	108.8700	0.149	16	108.9502	0.130	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]P[4,6]2)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CN[4]CH)	C(N[4]P[4,6]2)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CN[4]CH)	109.1465	0.004	4	109.1465	0.000	4	108.9502	0.130	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(N[4]C[4]2)(CCHI)(H)2	C(CN[4]HH)(CHHO)(H)(I)	H(CN[4]CH)	C(N[4]C[4]2)(CCHI)(H)2	C(CN[4]HH)(CHHO)(H)(I)	H(CN[4]CH)	109.9840	0.000	1	109.9840	0.000	1	109.9840	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(Cl)(H)	C(CN[5]ClH)(CClCC)(H)2	H(CN[5]ClC)	C(N[5]C[5]2)(CCHH)(Cl)(H)	C(CN[5]ClH)(CClCC)(H)2	H(CN[5]ClC)	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	H(CN[5]CH)	108.5240	0.106	3	108.5240	0.011	3	108.5240	0.011	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(N[5]C[5]2)(CCFH)(H)2	C(CN[5]HH)(CCFH)(F)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCFH)(H)2	C(CN[5]HH)(CCFH)(F)(H)	H(CN[5]CH)	109.2325	0.255	6	109.2325	0.065	6	109.2325	0.065	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]B[5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]B[5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.5330	0.040	2	108.5330	0.002	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[3x5]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[3x5]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	108.6095	0.042	2	108.6095	0.002	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.6287	0.508	27	108.6287	0.258	27	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.7406	0.152	7	108.7406	0.023	7	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	108.8650	0.047	2	108.8650	0.002	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	109.2956	0.171	12	109.2956	0.029	12	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CN[5]HH)(H)2	H(CN[5]CH)	108.3145	0.039	2	108.3145	0.002	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]CH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]CH)(CN[5]HH)(H)2	H(CN[5]CH)	108.8600	0.008	2	108.8600	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CN[5]CH)	109.3375	0.022	2	109.3375	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.0328	0.408	68	109.0328	0.167	68	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CClHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CClHH)(H)2	H(CN[5]CH)	108.8255	0.006	2	108.8255	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	109.0513	0.332	21	109.0513	0.110	21	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.9600	0.004	2	108.9600	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	109.3125	0.032	2	109.3125	0.001	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.1750	0.008	2	109.1750	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	108.6450	1.994	4	108.6450	3.975	4	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CN[5]CH)	108.9346	0.049	5	108.9346	0.002	5	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	109.4037	0.334	10	109.4037	0.111	10	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CN[5]CH)	109.1778	0.357	6	109.1778	0.128	6	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	H(CN[5]CH)	109.1610	0.222	4	109.1610	0.049	4	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.1464	0.545	410	109.1464	0.297	410	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	109.2169	0.487	74	109.2169	0.237	74	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CN[5]CH)	109.1122	0.162	6	109.1122	0.026	6	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CN[5]CH)	109.3101	0.265	20	109.3101	0.070	20	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	108.8022	0.430	53	108.8022	0.185	53	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	108.7400	0.007	2	108.7400	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.0970	0.010	2	109.0970	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	110.6058	0.865	4	110.6058	0.749	4	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CB[5]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CB[5]HH)(CN[5]HH)(H)2	H(CN[5]CH)	109.1992	0.205	5	109.1992	0.042	5	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CN[5]CH)	108.6570	0.701	8	108.6570	0.492	8	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	109.8820	0.004	2	109.8820	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrCH)(H)2	H(CN[5]CH)	109.9025	0.070	2	109.9025	0.005	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CN[5]CH)	109.1135	0.008	2	109.1135	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	H(CN[5]CH)	109.2110	0.013	2	109.2110	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCFF)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCFF)(H)2	H(CN[5]CH)	109.0915	0.053	2	109.0915	0.003	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.1410	0.898	1233	109.1410	0.806	1233	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHO)(H)2	H(CN[5]CH)	109.7040	0.941	10	109.7040	0.886	10	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CClHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CClHH)(H)2	H(CN[5]CH)	109.4285	0.005	2	109.4285	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	109.1268	1.525	162	109.1268	2.324	162	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHI)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHI)(H)2	H(CN[5]CH)	109.1635	0.828	2	109.1635	0.686	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CN[5]CH)	109.1700	0.336	70	109.1700	0.113	70	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CN[5]CH)	109.0013	0.187	22	109.0013	0.035	22	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	H(CN[5]CH)	109.0422	0.258	8	109.0422	0.066	8	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CN[5]CH)	109.6061	1.232	27	109.6061	1.517	27	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CIrCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CIrCH)(H)2	H(CN[5]CH)	109.5970	0.051	2	109.5970	0.003	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[5]CH)	109.1020	0.290	23	109.1020	0.084	23	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNiCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CNiCH)(H)2	H(CN[5]CH)	109.9397	0.062	6	109.9397	0.004	6	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CReCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CReCH)(H)2	H(CN[5]CH)	109.3675	0.049	2	109.3675	0.002	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CRuCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CRuCH)(H)2	H(CN[5]CH)	109.3600	0.017	2	109.3600	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	H(CN[5]CH)	109.0580	0.261	6	109.0580	0.068	6	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSiHO)(H)2	H(CN[5]CH)	110.6465	3.922	2	110.6465	15.385	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSn2H)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CSn2H)(H)2	H(CN[5]CH)	109.2225	0.005	2	109.2225	0.000	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	109.0528	0.661	209	109.0528	0.437	209	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	109.0729	0.223	34	109.0729	0.050	34	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	109.2019	0.231	26	109.2019	0.053	26	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CN[5]CH)	108.8905	0.208	34	108.8905	0.043	34	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.1125	0.725	128	109.1125	0.525	128	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	109.4588	0.902	50	109.4588	0.813	50	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CN[5]CH)	109.0938	0.097	4	109.0938	0.009	4	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CN[5]CH)	109.8505	0.045	2	109.8505	0.002	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[5]CH)	109.2145	0.025	2	109.2145	0.001	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	109.2577	0.402	15	109.2577	0.162	15	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]O[5])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]O[5])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[5]HH)(H)2	H(CN[5]CH)	106.7960	0.028	2	106.7960	0.001	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]O[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]O[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.5032	0.097	4	109.5032	0.009	4	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]P[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]P[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.2180	3.014	2	109.2180	9.082	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.9507	0.243	14	108.9507	0.059	14	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5]S[5])(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	108.7520	0.413	2	108.7520	0.171	2	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.9402	0.171	6	108.9402	0.029	6	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]N[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	C(N[5]N[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	109.4090	0.283	4	109.4090	0.080	4	109.1314	0.664	2897	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(H)(O)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(H)(O)	H(CN[5]CH)	108.9100	0.043	4	108.9100	0.002	4	108.9100	0.002	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	H(CN[5]CH)	108.7640	0.208	4	108.7640	0.043	4	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	H(CN[5]CH)	108.6067	0.148	6	108.6067	0.022	6	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	108.7245	0.005	2	108.7245	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCC)(H)2	H(CN[5]CH)	109.1532	0.709	8	109.1532	0.503	8	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBCH)(H)2	H(CN[5]CH)	108.9400	0.079	2	108.9400	0.006	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NBHH)(H)2	H(CN[5]CH)	109.0055	0.005	2	109.0055	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCCH)(H)2	H(CN[5]CH)	109.0520	0.025	2	109.0520	0.001	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCHH)(H)2	H(CN[5]CH)	108.7890	0.017	2	108.7890	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	H(CN[5]CH)	109.2325	0.511	30	109.2325	0.261	30	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCrCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NCrCC)(H)2	H(CN[5]CH)	109.1990	0.007	2	109.1990	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NH3)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NH3)(H)2	H(CN[5]CH)	109.2246	0.457	5	109.2246	0.209	5	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NLiCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NLiCH)(H)2	H(CN[5]CH)	109.2562	0.042	4	109.2562	0.002	4	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NMnCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NMnCC)(H)2	H(CN[5]CH)	108.9768	0.710	23	108.9768	0.504	23	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCC)(H)2	H(CN[5]CH)	109.8060	0.021	2	109.8060	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	H(CN[5]CH)	108.9835	0.401	4	108.9835	0.161	4	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	H(CN[5]CH)	109.7815	0.047	2	109.7815	0.002	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	H(CN[5]CH)	109.4557	0.318	3	109.4557	0.101	3	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	H(CN[5]CH)	108.9885	0.344	6	108.9885	0.118	6	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	109.4460	0.141	4	109.4460	0.020	4	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(CN[5]HH)(NRuHH)(H)2	H(CN[5]CH)	109.6775	0.079	4	109.6775	0.006	4	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCC)(H)2	H(CN[5]CH)	109.1186	0.638	27	109.1186	0.407	27	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCoCH)(H)2	H(CN[5]CH)	108.7777	0.029	4	108.7777	0.001	4	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	H(CN[5]CH)	108.9442	0.462	8	108.9442	0.214	8	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	H(CN[5]CH)	108.9187	0.229	3	108.9187	0.052	3	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCC)(H)2	H(CN[5]CH)	109.6415	0.035	2	109.6415	0.001	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdCH)(H)2	H(CN[5]CH)	109.3999	0.218	25	109.3999	0.048	25	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdHH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPdHH)(H)2	H(CN[5]CH)	109.3980	0.011	2	109.3980	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPtHH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NPtHH)(H)2	H(CN[5]CH)	109.7060	0.021	2	109.7060	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCC)(H)2	H(CN[5]CH)	109.0707	0.173	6	109.0707	0.030	6	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NReCH)(H)2	H(CN[5]CH)	109.2794	0.245	9	109.2794	0.060	9	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	108.6095	0.054	2	108.6095	0.003	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZn2C)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZn2C)(H)2	H(CN[5]CH)	109.0745	0.248	6	109.0745	0.061	6	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCC)(H)2	H(CN[5]CH)	108.8705	0.015	2	108.8705	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnCH)(H)2	H(CN[5]CH)	108.9510	0.000	1	108.9510	0.000	1	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnHH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHN)(H)2	C(CN[5]HH)(NZnHH)(H)2	H(CN[5]CH)	109.0480	0.016	2	109.0480	0.000	2	109.1483	0.238	218	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi3)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHO)(H)2	C(CN[5]HH)(ONi3)(H)2	H(CN[5]CH)	108.5790	0.031	3	108.5790	0.001	3	108.5790	0.001	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	H(CN[5]CH)	108.8725	0.015	2	108.8725	0.000	2	109.4073	0.119	13	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PNiCC)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(CN[5]HH)(PNiCC)(H)2	H(CN[5]CH)	109.6603	0.065	7	109.6603	0.004	7	109.4073	0.119	13	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(CN[5]HH)(PRuCC)(H)2	H(CN[5]CH)	109.2320	0.292	4	109.2320	0.085	4	109.4073	0.119	13	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SO3)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHS)(H)2	C(CN[5]HH)(SO3)(H)2	H(CN[5]CH)	109.4822	0.845	4	109.4822	0.714	4	109.7977	3.545	35	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	H(CN[5]CH)	109.0453	0.145	4	109.0453	0.021	4	109.7977	3.545	35	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SFOO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SFOO)(H)2	H(CN[5]CH)	109.7535	0.008	2	109.7535	0.000	2	109.7977	3.545	35	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNOO)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(CN[5]HH)(SNOO)(H)2	H(CN[5]CH)	110.2528	2.538	18	110.2528	6.440	18	109.7977	3.545	35	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHS)(H)2	C(CN[5]HH)(SCOO)(H)2	H(CN[5]CH)	109.2504	0.239	7	109.2504	0.057	7	109.7977	3.545	35	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CSiHH)(H)2	C(CN[5]HH)(SiC3)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CSiHH)(H)2	C(CN[5]HH)(SiC3)(H)2	H(CN[5]CH)	108.8215	0.009	2	108.8215	0.000	2	108.8215	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	H(CN[5]CH)	108.5090	0.017	2	108.5090	0.000	2	108.5090	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	H(CN[5]CH)	107.6615	0.011	2	107.6615	0.000	2	107.6615	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	H(CN[5]CH)	108.2090	0.032	4	108.2090	0.001	4	108.2090	0.001	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	H(CN[5]CH)	108.1257	0.435	12	108.1257	0.189	12	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	H(CN[5]CH)	107.5725	0.026	2	107.5725	0.001	2	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	H(CN[5]CH)	109.0084	0.123	8	109.0084	0.015	8	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	H(CN[5]CH)	109.2535	0.033	2	109.2535	0.001	2	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	H(CN[5]CH)	109.4780	0.083	3	109.4780	0.007	3	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	106.1125	0.194	2	106.1125	0.038	2	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	H(CN[5]CH)	109.6345	0.012	2	109.6345	0.000	2	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	H(CN[5]CH)	108.9765	0.251	4	108.9765	0.063	4	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	H(CN[5]CH)	108.8077	0.117	4	108.8077	0.014	4	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[5]HH)(H)2	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	H(CN[5]CH)	108.4925	0.009	2	108.4925	0.000	2	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[5]HH)(H)2	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	H(CN[5]CH)	108.8370	0.191	4	108.8370	0.037	4	108.5917	0.623	45	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	H(CN[5]CH)	109.3691	0.247	7	109.3691	0.061	7	109.3691	0.061	7	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(H)2	C(NC[6a]RuH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHN)(H)2	C(NC[6a]RuH)(CN[5]HH)(H)2	H(CN[5]CH)	108.7260	0.007	2	108.7260	0.000	2	108.7260	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2H)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	C(N[5]C[5]2H)(CN[5]HH)(H)2	H(CN[5]CH)	108.9243	0.589	4	108.9243	0.347	4	108.9243	0.347	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2C)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2C)(CN[5]HH)(H)2	H(CN[5]CH)	109.9650	0.000	1	109.9650	0.000	1	110.1762	1.009	5	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	C(N[6]C[6]2H)(CN[5]HH)(H)2	H(CN[5]CH)	110.2290	1.152	4	110.2290	1.327	4	110.1762	1.009	5	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]N[5])(CHHP)(H)2	C(PC[6a]2Pt)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]N[5])(CHHP)(H)2	C(PC[6a]2Pt)(CN[5]HH)(H)2	H(CN[5]CH)	109.3945	0.323	8	109.3945	0.104	8	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	109.3067	0.755	4	109.3067	0.570	4	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	109.1455	0.030	2	109.1455	0.001	2	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	H(CN[5]CH)	109.8283	0.086	3	109.8283	0.007	3	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CHHP)(H)2	C(PC[6a]RuC)(CN[5]HH)(H)2	H(CN[5]CH)	109.1380	0.336	22	109.1380	0.113	22	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6a]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	H(CN[5]CH)	109.4477	0.149	3	109.4477	0.022	3	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Fe)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Fe)(CN[5]HH)(H)2	H(CN[5]CH)	109.1300	0.370	4	109.1300	0.137	4	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	109.2145	0.481	29	109.2145	0.231	29	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ni)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ni)(CN[5]HH)(H)2	H(CN[5]CH)	109.4378	0.236	10	109.4378	0.056	10	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Pd)(CN[5]HH)(H)2	H(CN[5]CH)	109.4187	0.226	13	109.4187	0.051	13	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	H(CN[5]CH)	109.0038	0.358	6	109.0038	0.128	6	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]PtC)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHP)(H)2	C(PC[6a]PtC)(CN[5]HH)(H)2	H(CN[5]CH)	109.2272	0.072	4	109.2272	0.005	4	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ir)(CN[5]HH)(H)2	H(CN[5]CH)	109.2842	0.198	11	109.2842	0.039	11	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Os)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Os)(CN[5]HH)(H)2	H(CN[5]CH)	109.3046	0.132	14	109.3046	0.018	14	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Rh)(CN[5]HH)(H)2	H(CN[5]CH)	109.1050	0.108	10	109.1050	0.012	10	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]N[5])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5]HH)(H)2	H(CN[5]CH)	108.9752	0.122	6	108.9752	0.015	6	109.2505	0.120	149	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5]-3:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]OO)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2)(CHHS)(H)2	C(SC[6a]OO)(CN[5]HH)(H)2	H(CN[5]CH)	108.7815	0.022	2	108.7815	0.000	2	108.7815	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCFH)(H)2	C(CN[5a]HH)(CHHN)(F)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	C(CN[5a]HH)(CHHN)(F)(H)	H(CN[5a]CH)	108.9575	0.015	2	108.9575	0.000	2	108.9575	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.0870	0.213	23	109.0870	0.045	23	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	108.9506	0.242	14	108.9506	0.058	14	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	108.9062	0.094	13	108.9062	0.009	13	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.0820	0.303	12	109.0820	0.092	12	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	109.2280	0.065	4	109.2280	0.004	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CN[5a]CH)	109.0280	0.024	2	109.0280	0.001	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CN[5a]CH)	109.2790	0.011	2	109.2790	0.000	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	108.8589	0.092	8	108.8589	0.009	8	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	108.7375	0.005	2	108.7375	0.000	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.0421	0.610	176	109.0421	0.372	176	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	108.8450	0.008	2	108.8450	0.000	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	109.1250	0.038	4	109.1250	0.001	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	108.9507	0.052	4	108.9507	0.003	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CN[5a]CH)	111.8700	1.997	2	111.8700	3.987	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	108.6340	1.029	12	108.6340	1.059	12	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CN[5a]CH)	108.4193	0.196	4	108.4193	0.038	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	108.7056	0.068	5	108.7056	0.005	5	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	108.9774	0.146	13	108.9774	0.021	13	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.0602	0.228	8	109.0602	0.052	8	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCCH)(H)2	H(CN[5a]CH)	108.9228	0.016	4	108.9228	0.000	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.1630	0.859	115	109.1630	0.738	115	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHO)(H)2	H(CN[5a]CH)	108.6790	0.414	4	108.6790	0.171	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CClHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CClHH)(H)2	H(CN[5a]CH)	109.0263	0.100	3	109.0263	0.010	3	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	109.3985	1.567	26	109.3985	2.454	26	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	109.2735	0.077	2	109.2735	0.006	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	109.1340	0.203	24	109.1340	0.041	24	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[5a]CH)	109.0815	0.965	4	109.0815	0.931	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CSiCO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CSiCO)(H)2	H(CN[5a]CH)	109.4650	0.037	2	109.4650	0.001	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	108.8784	0.361	23	108.8784	0.131	23	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1850	0.036	4	109.1850	0.001	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCFF)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCFF)(H)2	H(CN[5a]CH)	109.1860	0.000	1	109.1860	0.000	1	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.1141	0.160	21	109.1141	0.025	21	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	109.0730	0.122	2	109.0730	0.015	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	109.0240	0.369	4	109.0240	0.136	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	109.0485	0.184	21	109.0485	0.034	21	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1100	0.237	4	109.1100	0.056	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[6a]HO)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[6a]HO)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.0310	0.016	2	109.0310	0.000	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCCH)(H)2	H(CN[5a]CH)	109.5560	0.008	2	109.5560	0.000	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.0657	0.724	135	109.0657	0.524	135	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	108.9627	0.828	24	108.9627	0.686	24	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CN[5a]CH)	109.0691	0.266	38	109.0691	0.071	38	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	108.9027	0.219	8	108.9027	0.048	8	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CN[5a]CH)	108.0720	0.858	2	108.0720	0.737	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CN[5a]CH)	108.9275	0.053	2	108.9275	0.003	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	H(CN[5a]CH)	109.2046	0.251	7	109.2046	0.063	7	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6a]HH)(H)2	H(CN[5a]CH)	109.0414	0.225	11	109.0414	0.050	11	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	109.1402	0.190	13	109.1402	0.036	13	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1885	0.021	2	109.1885	0.000	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.1955	0.040	4	109.1955	0.002	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CBrHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CBrHH)(H)2	H(CN[5a]CH)	109.2220	0.029	3	109.2220	0.001	3	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCCH)(H)2	H(CN[5a]CH)	109.5110	0.017	2	109.5110	0.000	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.0838	0.567	96	109.0838	0.322	96	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CH3)(H)2	H(CN[5a]CH)	108.7148	1.587	4	108.7148	2.518	4	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CN[5a]CH)	108.9810	0.281	3	108.9810	0.079	3	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	109.1570	0.138	6	109.1570	0.019	6	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN3)(H)2	H(CN[5a]CH)	111.8665	1.699	2	111.8665	2.887	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[5a]CH)	108.9675	0.101	6	108.9675	0.010	6	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CN[5a]CH)	109.2268	0.465	6	109.2268	0.216	6	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	109.6985	1.035	39	109.6985	1.072	39	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CN[5a]CH)	109.2895	0.170	19	109.2895	0.029	19	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CN[5a]CH)	109.0600	0.024	2	109.0600	0.001	2	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	H(CN[5a]CH)	109.9248	1.240	5	109.9248	1.539	5	109.1068	0.479	1017	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:S-1:	C-4:	C(N[5a]C[5a]2)(CCHS)(H)2	C(CN[5a]HH)(CH3)(H)(S)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHS)(H)2	C(CN[5a]HH)(CH3)(H)(S)	H(CN[5a]CH)	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NPdCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	C(CN[5a]HH)(NPdCH)(H)2	H(CN[5a]CH)	109.2907	0.148	3	109.2907	0.022	3	109.3831	2.375	17	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCCH)(H)2	H(CN[5a]CH)	109.8630	0.085	2	109.8630	0.007	2	109.3831	2.375	17	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCCH)(H)2	H(CN[5a]CH)	108.5925	0.005	2	108.5925	0.000	2	109.3831	2.375	17	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCHH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NCHH)(H)2	H(CN[5a]CH)	110.5295	2.758	2	110.5295	7.609	2	109.3831	2.375	17	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NH3)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NH3)(H)2	H(CN[5a]CH)	109.1202	2.921	4	109.1202	8.533	4	109.3831	2.375	17	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NZn2C)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NZn2C)(H)2	H(CN[5a]CH)	109.4245	0.021	2	109.4245	0.000	2	109.3831	2.375	17	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NZnCH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHN)(H)2	C(CN[5a]HH)(NZnCH)(H)2	H(CN[5a]CH)	109.1700	0.008	2	109.1700	0.000	2	109.3831	2.375	17	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHS)(H)2	C(CN[5a]HH)(SCOO)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHS)(H)2	C(CN[5a]HH)(SCOO)(H)2	H(CN[5a]CH)	109.7356	0.142	5	109.7356	0.020	5	109.7356	0.020	5	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	H(CN[5a]CH)	108.9170	0.041	3	108.9170	0.002	3	108.9170	0.002	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	C(N[6]C[6]2C)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	C(N[6]C[6]2C)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.7920	0.000	1	109.7920	0.000	1	110.4700	0.359	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2H)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	C(N[6]C[6]2H)(CN[5a]HH)(H)2	H(CN[5a]CH)	110.8090	0.171	2	110.8090	0.029	2	110.4700	0.359	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C(PC[6a]RuC)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	C(PC[6a]RuC)(CN[5a]HH)(H)2	H(CN[5a]CH)	108.9493	0.437	3	108.9493	0.191	3	109.1988	0.213	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]2)(CHHP)(H)2	C(PC[6a]2Ir)(CN[5a]HH)(H)2	H(CN[5a]CH)	109.6740	0.066	2	109.6740	0.004	2	109.1988	0.213	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[5a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5a]HH)(H)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CHHP)(H)2	C(PC[6a]2Ru)(CN[5a]HH)(H)2	H(CN[5a]CH)	108.9970	0.000	1	108.9970	0.000	1	109.1988	0.213	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6,6]C[6,6]2)(CCHH)(H)2	C(CN[6,6]HH)(CH3)(H)2	H(CN[6,6]CH)	C(N[6,6]C[6,6]2)(CCHH)(H)2	C(CN[6,6]HH)(CH3)(H)2	H(CN[6,6]CH)	108.6835	0.063	2	108.6835	0.004	2	108.6835	0.004	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6,6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6,6]C[6,6]2)(CHHN)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	H(CN[6,6]CH)	C(N[6,6]C[6,6]2)(CHHN)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	H(CN[6,6]CH)	109.2475	0.052	2	109.2475	0.003	2	109.2475	0.003	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(N[6]C[6]2)(CCFF)(H)2	C(CN[6]HH)(CCFF)(F)2	H(CN[6]CH)	C(N[6]C[6]2)(CCFF)(H)2	C(CN[6]HH)(CCFF)(F)2	H(CN[6]CH)	109.4272	0.173	12	109.4272	0.030	12	109.4272	0.030	12	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.0910	0.059	2	109.0910	0.004	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	109.0343	1.865	4	109.0343	3.480	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CC[5,6,6]HO)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CC[5,6,6]HO)(CN[6]HH)(H)2	H(CN[6]CH)	107.0360	0.027	2	107.0360	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	107.5630	0.033	2	107.5630	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	109.2055	0.028	2	109.2055	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	106.9237	0.037	3	106.9237	0.001	3	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[5,6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.0660	0.000	1	109.0660	0.000	1	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	109.0630	0.021	2	109.0630	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	107.5090	0.011	2	107.5090	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	107.5950	0.016	2	107.5950	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	109.1515	0.326	2	109.1515	0.106	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.8900	0.008	2	108.8900	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.3253	1.070	3	108.3253	1.145	3	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.6839	0.503	12	108.6839	0.253	12	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.0834	0.038	5	109.0834	0.001	5	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	109.1380	0.010	2	109.1380	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	109.0752	1.036	61	109.0752	1.073	61	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.0702	0.327	41	109.0702	0.107	41	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	109.1425	0.266	6	109.1425	0.071	6	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CSiHH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CSiHH)(H)2	H(CN[6]CH)	108.9580	0.072	2	108.9580	0.005	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	108.8667	0.666	4	108.8667	0.443	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.6505	0.167	15	108.6505	0.028	15	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	108.9355	0.006	2	108.9355	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	H(CN[6]CH)	109.2550	0.164	4	109.2550	0.027	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	109.0468	0.620	35	109.0468	0.384	35	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.2410	0.530	16	109.2410	0.281	16	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHI)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHI)(H)2	H(CN[6]CH)	108.7825	0.028	2	108.7825	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	108.8180	0.000	1	108.8180	0.000	1	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	110.5440	2.039	2	110.5440	4.159	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	108.9933	0.036	4	108.9933	0.001	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.7295	1.576	4	109.7295	2.484	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[5,6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[5,6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	107.7230	0.021	2	107.7230	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.7935	0.238	10	108.7935	0.057	10	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	H(CN[6]CH)	109.4913	0.073	4	109.4913	0.005	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	H(CN[6]CH)	108.8380	0.009	4	108.8380	0.000	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	109.3371	0.217	18	109.3371	0.047	18	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[4]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[4]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.8360	0.025	4	108.8360	0.001	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.9355	0.467	20	108.9355	0.218	20	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.9597	0.617	4	108.9597	0.381	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CN[6]CH)	109.1980	0.030	2	109.1980	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrCH)(H)2	H(CN[6]CH)	109.5530	0.000	1	109.5530	0.000	1	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrHH)(H)2	H(CN[6]CH)	109.0755	0.025	2	109.0755	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	H(CN[6]CH)	108.9884	0.896	9	108.9884	0.802	9	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	109.2291	0.939	658	109.2291	0.882	658	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.0854	0.509	95	109.0854	0.259	95	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	109.0140	1.355	65	109.0140	1.835	65	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	109.1589	1.077	45	109.1589	1.160	45	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	111.1296	1.423	8	111.1296	2.025	8	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	109.3217	0.342	42	109.3217	0.117	42	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	109.0592	0.188	4	109.0592	0.035	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	108.9057	0.589	8	108.9057	0.347	8	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]P[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]C[6]P[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	108.5315	0.040	2	108.5315	0.002	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.5985	0.029	2	108.5985	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	H(CN[6]CH)	109.5985	0.035	2	109.5985	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	108.9290	0.204	4	108.9290	0.041	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	109.2230	0.000	1	109.2230	0.000	1	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	109.2590	0.023	2	109.2590	0.001	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]Ga[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CO[4]HH)(H)2	H(CN[6]CH)	C(N[6]Ga[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CO[4]HH)(H)2	H(CN[6]CH)	109.3260	0.014	2	109.3260	0.000	2	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.6524	1.844	30	108.6524	3.399	30	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	109.1040	0.022	4	109.1040	0.000	4	109.1387	0.871	1301	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCCH)(H)2	H(CN[6]CH)	109.6055	0.236	4	109.6055	0.056	4	109.3386	0.393	49	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCHH)(H)2	H(CN[6]CH)	109.6020	0.023	2	109.6020	0.001	2	109.3386	0.393	49	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	H(CN[6]CH)	109.2895	0.673	41	109.2895	0.453	41	109.3386	0.393	49	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NIrCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NIrCH)(H)2	H(CN[6]CH)	109.5480	0.011	2	109.5480	0.000	2	109.3386	0.393	49	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SFOO)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SFOO)(H)2	H(CN[6]CH)	109.6170	0.199	8	109.6170	0.040	8	109.1491	0.872	16	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SN[6]OO)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SN[6]OO)(H)2	H(CN[6]CH)	107.5330	2.271	2	107.5330	5.158	2	109.1491	0.872	16	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	H(CN[6]CH)	109.0640	0.354	6	109.0640	0.125	6	109.1491	0.872	16	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[4]HH)(H)2	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[4]HH)(H)2	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	H(CN[6]CH)	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	H(CN[6]CH)	108.8325	0.230	4	108.8325	0.053	4	108.9812	0.124	10	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2V)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2V)(CN[6]HH)(H)2	H(CN[6]CH)	109.0803	0.403	6	109.0803	0.162	6	108.9812	0.124	10	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	H(CN[6]CH)	108.6873	0.049	3	108.6873	0.002	3	109.1109	0.384	7	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CN[6]HH)(H)2	H(CN[6]CH)	108.8465	0.015	2	108.8465	0.000	2	109.1109	0.384	7	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	H(CN[6]CH)	110.0105	0.035	2	110.0105	0.001	2	109.1109	0.384	7	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(N[6a]C[6a]2)(CCFF)(H)2	C(CN[6a]HH)(CCFF)(F)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCFF)(H)2	C(CN[6a]HH)(CCFF)(F)2	H(CN[6a]CH)	109.5079	0.283	9	109.5079	0.080	9	109.5079	0.080	9	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	108.6204	0.572	10	108.6204	0.327	10	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	109.0198	0.060	4	109.0198	0.004	4	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	109.3950	0.000	1	109.3950	0.000	1	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	109.7968	1.387	6	109.7968	1.922	6	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CN[6a]CH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CN[6a]CH)	108.8225	0.023	2	108.8225	0.001	2	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	109.2938	0.117	8	109.2938	0.014	8	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	108.8970	0.000	1	108.8970	0.000	1	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	108.9753	0.223	26	108.9753	0.050	26	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	109.0302	0.329	25	109.0302	0.108	25	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CHHN)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CN[6a]HH)(CHHN)(H)2	H(CN[6a]CH)	108.6893	0.053	4	108.6893	0.003	4	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	108.4570	0.016	2	108.4570	0.000	2	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CN[6a]CH)	108.8745	0.040	6	108.8745	0.002	6	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	109.4356	0.885	17	109.4356	0.783	17	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	109.0708	0.159	6	109.0708	0.025	6	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CN[6a]CH)	112.2660	1.399	2	112.2660	1.956	2	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)2(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)2(H)2	H(CN[6a]CH)	109.1363	0.050	3	109.1363	0.003	3	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	H(CN[6a]CH)	108.8110	0.013	2	108.8110	0.000	2	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.1388	0.310	11	109.1388	0.096	11	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	109.0907	1.292	120	109.0907	1.669	120	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CH3)(H)2	H(CN[6a]CH)	109.5229	1.106	13	109.5229	1.224	13	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CN[6a]CH)	109.1162	0.197	10	109.1162	0.039	10	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	H(CN[6a]CH)	109.1658	0.376	25	109.1658	0.142	25	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)2(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)2(H)2	H(CN[6a]CH)	109.2017	0.200	3	109.2017	0.040	3	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CN[6a]CH)	109.1702	0.203	4	109.1702	0.041	4	109.1305	0.909	311	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	C(CN[6a]HH)(NC3)(H)2	H(CN[6a]CH)	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	C(CN[6a]HH)(NC3)(H)2	H(CN[6a]CH)	109.9220	0.027	2	109.9220	0.001	2	109.5297	0.462	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NCCH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHN)(H)2	C(CN[6a]HH)(NCCH)(H)2	H(CN[6a]CH)	108.7450	0.000	1	108.7450	0.000	1	109.5297	0.462	3	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHS)(H)2	C(CN[6a]HH)(SO3)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CHHS)(H)2	C(CN[6a]HH)(SO3)(H)2	H(CN[6a]CH)	109.9878	2.474	12	109.9878	6.119	12	109.9878	6.119	12	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.3480	0.329	4	109.3480	0.108	4	109.4375	0.067	10	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	N[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	H(CN[6a]CH)	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	H(CN[6a]CH)	109.4972	0.211	6	109.4972	0.045	6	109.4375	0.067	10	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6]Li)(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	C(OC[6]Li)(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	109.9779	0.124	8	109.9779	0.015	8	109.9232	0.077	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a]Li)(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	C(OC[6a]Li)(CCHH)(H)2	C(CHHO)2(H)2	H(CCHO)	110.0353	0.161	8	110.0353	0.026	8	109.9232	0.077	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OC[6a]V)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OC[6a]V)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.2560	0.024	2	109.2560	0.001	2	109.9232	0.077	18	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OB[6,6]Co)(CHHN)(H)2	C(NCoHH)(CHHO)(H)2	H(CCHO)	C(OB[6,6]Co)(CHHN)(H)2	C(NCoHH)(CHHO)(H)2	H(CCHO)	109.8795	0.033	2	109.8795	0.001	2	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OB[6,6]Ni)(CHHN)(H)2	C(NNiHH)(CHHO)(H)2	H(CCHO)	C(OB[6,6]Ni)(CHHN)(H)2	C(NNiHH)(CHHO)(H)2	H(CCHO)	109.9640	0.000	1	109.9640	0.000	1	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OBaCo)(CHHN)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	C(OBaCo)(CHHN)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	109.6950	0.044	2	109.6950	0.002	2	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OC[6a]Ba)(CHHN)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	C(OC[6a]Ba)(CHHN)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	110.5185	1.655	4	110.5185	2.738	4	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OC[6a]Ni)(CHHN)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	C(OC[6a]Ni)(CHHN)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	110.2442	0.222	4	110.2442	0.049	4	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OCoCu)(CHHN)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	C(OCoCu)(CHHN)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	111.8525	0.319	2	111.8525	0.102	2	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OCrZn)(CHHN)(H)2	C(NCrCH)(CHHO)(H)2	H(CCHO)	C(OCrZn)(CHHN)(H)2	C(NCrCH)(CHHO)(H)2	H(CCHO)	110.0093	0.051	8	110.0093	0.003	8	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OFeHo)(CHHN)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(OFeHo)(CHHN)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	109.6197	0.306	3	109.6197	0.094	3	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OLiSn)(CHHN)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	C(OLiSn)(CHHN)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	109.7090	0.030	2	109.7090	0.001	2	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OLiSn)(CHHN)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	C(OLiSn)(CHHN)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	109.3130	0.000	1	109.3130	0.000	1	110.1218	0.633	29	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[5]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	C(OC[5]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	109.8635	0.212	4	109.8635	0.045	4	110.2546	0.085	16	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6a]Pd)(CHHP)(H)2	C(PC[6a]2Pd)(CHHO)(H)2	H(CCHO)	C(OC[6a]Pd)(CHHP)(H)2	C(PC[6a]2Pd)(CHHO)(H)2	H(CCHO)	110.2230	0.040	2	110.2230	0.002	2	110.2546	0.085	16	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6a]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	C(OC[6a]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHO)(H)2	H(CCHO)	110.3215	0.036	2	110.3215	0.001	2	110.2546	0.085	16	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(OC[6a]Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHO)	C(OC[6a]Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHO)	110.4414	0.182	8	110.4414	0.033	8	110.2546	0.085	16	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(O[4]Ga[4]2)(CCHH)(H)2	C(CN[6]HH)(CO[4]HH)(H)2	H(CO[4]CH)	C(O[4]Ga[4]2)(CCHH)(H)2	C(CN[6]HH)(CO[4]HH)(H)2	H(CO[4]CH)	109.6240	0.020	2	109.6240	0.000	2	109.4153	0.059	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(O[4]In[4]2)(CCHH)(H)2	C(CO[4]HH)(CHHN)(H)2	H(CO[4]CH)	C(O[4]In[4]2)(CCHH)(H)2	C(CO[4]HH)(CHHN)(H)2	H(CO[4]CH)	109.2065	0.046	2	109.2065	0.002	2	109.4153	0.059	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	O[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(O[5]B[5]2)(CCHH)(H)2	C(CO[5]HH)(CCHH)(H)2	H(CO[5]CH)	C(O[5]B[5]2)(CCHH)(H)2	C(CO[5]HH)(CCHH)(H)2	H(CO[5]CH)	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	110.1710	0.888	6	110.1710	0.788	6	109.9237	0.358	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2N[6])(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2N[6])(CHHP)(H)2	H(CCHP)	109.6525	0.028	2	109.6525	0.001	2	109.9237	0.358	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]N[6]C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]N[6]C)(CHHP)(H)2	H(CCHP)	109.7668	0.105	6	109.7668	0.011	6	109.9237	0.358	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]C)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6]C)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.1940	0.014	2	108.1940	0.000	2	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.4710	0.013	2	109.4710	0.000	2	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHP)(H)2	H(CCHP)	109.2120	0.021	2	109.2120	0.000	2	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(H)2	C(CFeHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	C(CFeHH)(CHHP)(H)2	H(CCHP)	108.7650	0.011	2	108.7650	0.000	2	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.9885	0.053	2	108.9885	0.003	2	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	110.3528	2.822	12	110.3528	7.964	12	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]C)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.2109	1.526	8	108.2109	2.329	8	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[3])(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PC[6a]C[3])(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	109.4717	0.023	3	109.4717	0.001	3	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]H)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]H)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	109.2375	0.033	2	109.2375	0.001	2	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	110.9940	0.175	2	110.9940	0.031	2	109.4070	3.762	37	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	102.0765	0.136	2	102.0765	0.019	2	108.1326	7.468	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	109.7985	0.025	2	109.7985	0.001	2	108.1326	7.468	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	109.8160	0.035	2	109.8160	0.001	2	108.1326	7.468	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	109.4903	0.408	4	109.4903	0.167	4	108.1326	7.468	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	109.1980	0.021	2	109.1980	0.000	2	108.1326	7.468	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]C)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	107.0585	0.193	2	107.0585	0.037	2	108.1326	7.468	14	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	P[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]P[5]2)(CCHH)(H)2	C(CP[5]HH)(CH3)(H)2	H(CP[5]CH)	C(P[5]P[5]2)(CCHH)(H)2	C(CP[5]HH)(CH3)(H)2	H(CP[5]CH)	109.5530	0.069	2	109.5530	0.005	2	109.5530	0.005	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5]Cu)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[5]Cu)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.9873	2.353	6	108.9873	5.536	6	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5]W)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(SC[5]W)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	109.1525	0.166	2	109.1525	0.028	2	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6]Cu)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6]Cu)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	107.2618	11.770	8	107.2618	138.524	8	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6]Ni)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6]Ni)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	110.3452	2.266	22	110.3452	5.137	22	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6]O)(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(SC[6]O)(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	107.9250	0.826	2	107.9250	0.682	2	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Ag)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ag)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.7163	0.098	4	108.7163	0.010	4	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]C)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[6a]C)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.6223	0.212	6	109.6223	0.045	6	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Co)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6a]Co)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.3503	0.382	4	108.3503	0.146	4	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]O)(CCHH)(H)2	C(CCCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]O)(CCHH)(H)2	C(CCCH)(CHHS)(H)2	H(CCHS)	108.1575	0.026	2	108.1575	0.001	2	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]O)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(SC[6a]O)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	100.5345	0.146	2	100.5345	0.021	2	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]O)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6a]O)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.7575	0.066	4	108.7575	0.004	4	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.1370	0.033	2	108.1370	0.001	2	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.3403	0.430	3	108.3403	0.185	3	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CCHH)(H)2	C(CPdCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CCHH)(H)2	C(CPdCH)(CHHS)(H)2	H(CCHS)	110.4265	0.047	2	110.4265	0.002	2	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	107.4972	0.299	4	107.4972	0.089	4	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pt)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pt)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	107.6547	0.330	4	107.6547	0.109	4	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(SC[6a]Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	109.6835	0.145	4	109.6835	0.021	4	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Ru)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6a]Ru)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	109.4969	0.087	8	109.4969	0.008	8	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SCoNi)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SCoNi)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.3433	0.153	15	108.3433	0.023	15	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SCuNi)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SCuNi)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.0028	0.212	6	108.0028	0.045	6	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SFeMo)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SFeMo)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	107.8683	0.119	4	107.8683	0.014	4	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SFeNi)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SFeNi)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.3593	0.160	43	108.3593	0.026	43	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SFePd)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SFePd)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.3397	0.144	3	108.3397	0.021	3	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SPdRh)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(SPdRh)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	109.2053	0.360	13	109.2053	0.130	13	108.6614	7.970	173	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SAgRu)(CHHN)(H)2	C(NRuHH)(CHHS)(H)2	H(CCHS)	C(SAgRu)(CHHN)(H)2	C(NRuHH)(CHHS)(H)2	H(CCHS)	109.1540	0.334	4	109.1540	0.112	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Cu)(CHHN)(H)2	C(NCuCC)(CHHS)(H)2	H(CCHS)	C(SC[6a]Cu)(CHHN)(H)2	C(NCuCC)(CHHS)(H)2	H(CCHS)	111.4437	3.165	4	111.4437	10.018	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Cu)(CHHN)(H)2	C(NCuCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Cu)(CHHN)(H)2	C(NCuCH)(CHHS)(H)2	H(CCHS)	109.2990	0.000	1	109.2990	0.000	1	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Ir)(CHHN)(H)2	C(NIrCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ir)(CHHN)(H)2	C(NIrCH)(CHHS)(H)2	H(CCHS)	109.9210	0.041	2	109.9210	0.002	2	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Mn)(CHHN)(H)2	C(NMnCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Mn)(CHHN)(H)2	C(NMnCH)(CHHS)(H)2	H(CCHS)	109.5235	0.011	2	109.5235	0.000	2	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CHHN)(H)2	C(NPdCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CHHN)(H)2	C(NPdCH)(CHHS)(H)2	H(CCHS)	109.4197	0.040	4	109.4197	0.002	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Ru)(CHHN)(H)2	C(NRuCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ru)(CHHN)(H)2	C(NRuCH)(CHHS)(H)2	H(CCHS)	110.0695	0.363	19	110.0695	0.132	19	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SCoFe)(CHHN)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	C(SCoFe)(CHHN)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	108.8263	4.952	4	108.8263	24.521	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SCoPt)(CHHN)(H)2	C(NCoHH)(CHHS)(H)2	H(CCHS)	C(SCoPt)(CHHN)(H)2	C(NCoHH)(CHHS)(H)2	H(CCHS)	109.6400	0.316	3	109.6400	0.100	3	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SCuNi)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(SCuNi)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.9402	0.474	4	109.9402	0.225	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SFeNi)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(SFeNi)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	110.3568	0.352	13	110.3568	0.124	13	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SFeRe)(CHHN)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	C(SFeRe)(CHHN)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	109.9540	0.008	2	109.9540	0.000	2	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SIrMo)(CHHN)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	C(SIrMo)(CHHN)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	110.2907	0.946	6	110.2907	0.895	6	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SNiPd)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(SNiPd)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.9723	0.310	7	109.9723	0.096	7	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SNiPt)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(SNiPt)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.8738	0.127	4	109.8738	0.016	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SNiRh)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(SNiRh)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.8144	0.795	20	109.8144	0.632	20	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SNiRu)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(SNiRu)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.5358	0.675	24	109.5358	0.455	24	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SPdRu)(CHHN)(H)2	C(NPdHH)(CHHS)(H)2	H(CCHS)	C(SPdRu)(CHHN)(H)2	C(NPdHH)(CHHS)(H)2	H(CCHS)	107.7210	1.070	4	107.7210	1.144	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SPtRh)(CHHN)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	C(SPtRh)(CHHN)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	109.7785	0.389	4	109.7785	0.152	4	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SPtZn)(CHHN)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	C(SPtZn)(CHHN)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	109.1480	0.013	2	109.1480	0.000	2	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SRhZn)(CHHN)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	C(SRhZn)(CHHN)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	109.9396	0.791	24	109.9396	0.626	24	109.8162	1.278	157	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pd)(CN[6]HH)(H)2	C(N[6]C[6]2Pd)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pd)(CN[6]HH)(H)2	C(N[6]C[6]2Pd)(CHHS)(H)2	H(CCHS)	109.7652	0.365	6	109.7652	0.133	6	109.7652	0.133	6	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SB[5x3,5x5,20x6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(SB[5x3,5x5,20x6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	109.0895	0.021	2	109.0895	0.000	2	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[3x6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(SC[3x6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	108.8335	0.006	2	108.8335	0.000	2	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[5x3,5x5,20x6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(SC[5x3,5x5,20x6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	109.8015	0.155	4	109.8015	0.024	4	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(SC[6]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	109.4830	0.124	2	109.4830	0.015	2	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Cu)(CHHP)(H)2	C(PC[6a]2Cu)(CHHS)(H)2	H(CCHS)	C(SC[6a]Cu)(CHHP)(H)2	C(PC[6a]2Cu)(CHHS)(H)2	H(CCHS)	109.5877	1.118	4	109.5877	1.250	4	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHS)(H)2	H(CCHS)	C(SC[6a]Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHS)(H)2	H(CCHS)	109.6550	0.000	1	109.6550	0.000	1	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Ir)(CHHP)(H)2	C(PC[6a]2Ir)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ir)(CHHP)(H)2	C(PC[6a]2Ir)(CHHS)(H)2	H(CCHS)	109.7635	0.703	4	109.7635	0.495	4	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Ni)(CHHP)(H)2	C(PC[6a]2Ni)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ni)(CHHP)(H)2	C(PC[6a]2Ni)(CHHS)(H)2	H(CCHS)	108.9820	0.007	2	108.9820	0.000	2	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]O)(CHHP)(H)2	C(PC[6a]OO)(CHHS)(H)2	H(CCHS)	C(SC[6a]O)(CHHP)(H)2	C(PC[6a]OO)(CHHS)(H)2	H(CCHS)	109.3515	0.087	2	109.3515	0.008	2	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(SC[6a]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	109.8760	0.565	31	109.8760	0.319	31	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHS)(H)2	H(CCHS)	C(SC[6a]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHS)(H)2	H(CCHS)	109.6398	0.278	24	109.6398	0.077	24	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Rh)(CHHP)(H)2	C(PC[6a]C[6]Rh)(CHHS)(H)2	H(CCHS)	C(SC[6a]Rh)(CHHP)(H)2	C(PC[6a]C[6]Rh)(CHHS)(H)2	H(CCHS)	110.0660	0.028	3	110.0660	0.001	3	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SIrNi)(CHHP)(H)2	C(PC[6a]NiC)(CHHS)(H)2	H(CCHS)	C(SIrNi)(CHHP)(H)2	C(PC[6a]NiC)(CHHS)(H)2	H(CCHS)	109.1015	0.159	4	109.1015	0.025	4	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SIrPd)(CHHP)(H)2	C(PC[6a]PdC)(CHHS)(H)2	H(CCHS)	C(SIrPd)(CHHP)(H)2	C(PC[6a]PdC)(CHHS)(H)2	H(CCHS)	109.4573	0.075	4	109.4573	0.006	4	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SIrPt)(CHHP)(H)2	C(PC[6a]PtC)(CHHS)(H)2	H(CCHS)	C(SIrPt)(CHHP)(H)2	C(PC[6a]PtC)(CHHS)(H)2	H(CCHS)	109.5542	0.120	4	109.5542	0.014	4	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SNiRh)(CHHP)(H)2	C(PC[6a]NiC)(CHHS)(H)2	H(CCHS)	C(SNiRh)(CHHP)(H)2	C(PC[6a]NiC)(CHHS)(H)2	H(CCHS)	109.6323	0.396	6	109.6323	0.157	6	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SPdRh)(CHHP)(H)2	C(PC[6a]PdC)(CHHS)(H)2	H(CCHS)	C(SPdRh)(CHHP)(H)2	C(PC[6a]PdC)(CHHS)(H)2	H(CCHS)	109.6271	0.149	8	109.6271	0.022	8	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SPtRh)(CHHP)(H)2	C(PC[6a]PtC)(CHHS)(H)2	H(CCHS)	C(SPtRh)(CHHP)(H)2	C(PC[6a]PtC)(CHHS)(H)2	H(CCHS)	109.5929	0.160	19	109.5929	0.025	19	109.6427	0.200	126	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	S-3:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SC[6a]O)(CHHS)(H)2	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	C(SC[6a]O)(CHHS)(H)2	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	113.3105	1.565	2	113.3105	2.449	2	113.3105	2.449	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[5]Cu)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeC[5]Cu)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	108.3617	0.053	3	108.3617	0.003	3	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[5]Pd)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	C(SeC[5]Pd)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	108.0590	0.044	4	108.0590	0.002	4	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[5]Pd)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeC[5]Pd)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	107.3432	8.897	8	107.3432	79.160	8	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[5]Pt)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	C(SeC[5]Pt)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	108.1703	0.092	3	108.1703	0.008	3	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[5]Pt)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeC[5]Pt)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	108.3238	0.177	4	108.3238	0.031	4	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CSeCH)	108.7897	0.193	3	108.7897	0.037	3	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeC[6a]Pd)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	107.5047	0.375	3	107.5047	0.141	3	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pt)(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CSeCH)	C(SeC[6a]Pt)(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CSeCH)	108.5415	0.026	2	108.5415	0.001	2	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeCuC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeCuC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	108.5871	0.693	8	108.5871	0.480	8	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeFe2)(CCHH)(H)2	C(CSeCH)(CSeHH)(H)2	H(CSeCH)	C(SeFe2)(CCHH)(H)2	C(CSeCH)(CSeHH)(H)2	H(CSeCH)	107.4617	0.478	4	107.4617	0.228	4	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeFeNi)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeFeNi)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	113.1823	6.180	7	113.1823	38.191	7	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeGaC)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	C(SeGaC)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	109.8390	0.013	2	109.8390	0.000	2	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeMnC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeMnC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	106.2186	0.952	8	106.2186	0.906	8	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeMoC)(CCHH)(H)2	C(CSeHH)(CHHO)(H)2	H(CSeCH)	C(SeMoC)(CCHH)(H)2	C(CSeHH)(CHHO)(H)2	H(CSeCH)	109.4860	0.076	4	109.4860	0.006	4	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SePdC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SePdC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	104.9874	18.746	4	104.9874	351.424	4	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SePdRh)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	C(SePdRh)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	109.4490	0.041	2	109.4490	0.002	2	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeReC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(SeReC)(CCHH)(H)2	C(CSeHH)2(H)2	H(CSeCH)	107.6570	1.258	8	107.6570	1.584	8	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeSnC)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	C(SeSnC)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	109.5675	0.015	2	109.5675	0.000	2	108.3198	27.413	79	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[5]Cu)(CHHN)(H)2	C(CSeHH)(NCuCC)(H)2	H(CSeCH)	C(SeC[5]Cu)(CHHN)(H)2	C(CSeHH)(NCuCC)(H)2	H(CSeCH)	108.7994	0.114	11	108.7994	0.013	11	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[5]Pd)(CHHN)(H)2	C(CSeHH)(NPdCC)(H)2	H(CSeCH)	C(SeC[5]Pd)(CHHN)(H)2	C(CSeHH)(NPdCC)(H)2	H(CSeCH)	109.6045	0.120	4	109.6045	0.014	4	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[6a]Cu)(CHHN)(H)2	C(CSeHH)(NCuCH)(H)2	H(CSeCH)	C(SeC[6a]Cu)(CHHN)(H)2	C(CSeHH)(NCuCH)(H)2	H(CSeCH)	109.4395	0.018	2	109.4395	0.000	2	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[6a]Mn)(CHHN)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	C(SeC[6a]Mn)(CHHN)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	109.5475	0.029	2	109.5475	0.001	2	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CHHN)(H)2	C(CSeHH)(NPdCH)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CHHN)(H)2	C(CSeHH)(NPdCH)(H)2	H(CSeCH)	109.6293	0.127	6	109.6293	0.016	6	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[6a]Pt)(CHHN)(H)2	C(CSeHH)(NPtHH)(H)2	H(CSeCH)	C(SeC[6a]Pt)(CHHN)(H)2	C(CSeHH)(NPtHH)(H)2	H(CSeCH)	109.7910	0.007	2	109.7910	0.000	2	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeC[6a]Ru)(CHHN)(H)2	C(CSeHH)(NRuCH)(H)2	H(CSeCH)	C(SeC[6a]Ru)(CHHN)(H)2	C(CSeHH)(NRuCH)(H)2	H(CSeCH)	109.9945	0.011	2	109.9945	0.000	2	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeMnC)(CHHN)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	C(SeMnC)(CHHN)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	109.2540	0.021	2	109.2540	0.000	2	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SePtC)(CHHN)(H)2	C(CSeHH)(NPtHH)(H)2	H(CSeCH)	C(SePtC)(CHHN)(H)2	C(CSeHH)(NPtHH)(H)2	H(CSeCH)	111.0880	0.040	2	111.0880	0.002	2	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SeRhSe)(CHHN)(H)2	C(CSeHH)(NRhHH)(H)2	H(CSeCH)	C(SeRhSe)(CHHN)(H)2	C(CSeHH)(NRhHH)(H)2	H(CSeCH)	109.1488	0.226	6	109.1488	0.051	6	109.3874	0.319	39	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pd)(CN[6]HH)(H)2	C(N[6]C[6]2Pd)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Pd)(CN[6]HH)(H)2	C(N[6]C[6]2Pd)(CSeHH)(H)2	H(CSeCH)	109.8145	0.028	4	109.8145	0.001	4	109.8145	0.001	4	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SeC[6a]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CSeHH)(H)2	H(CSeCH)	109.5580	0.065	2	109.5580	0.004	2	109.4838	0.012	11	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Se-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SePtC)(CHHP)(H)2	C(PC[6a]2Pt)(CSeHH)(H)2	H(CSeCH)	C(SePtC)(CHHP)(H)2	C(PC[6a]2Pt)(CSeHH)(H)2	H(CSeCH)	109.4673	0.110	9	109.4673	0.012	9	109.4838	0.012	11	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Si-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(SiSi[4]2)(CBHH)(H)2	C(BC[6a]3)(CSiHH)(H)2	H(CSiCH)	C(SiSi[4]2)(CBHH)(H)2	C(BC[6a]3)(CSiHH)(H)2	H(CSiCH)	109.1240	0.040	2	109.1240	0.002	2	109.1240	0.002	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:1:1:	4:	Si-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]Si)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiC[6a]Si)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.5790	0.016	2	108.5790	0.000	2	108.5790	0.000	2	108.9993	1.100	14933	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]O)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	H(CBrCC)	C(CC[6a]O)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	H(CBrCC)	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CC[6a]N)(CCCH)(H)2	C(CCHH)(CCHO)(CC)(H)	H(CCCH)	C(CC[6a]N)(CCCH)(H)2	C(CCHH)(CCHO)(CC)(H)	H(CCCH)	108.6907	0.356	3	108.6907	0.127	3	108.6907	0.127	3	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CF3)(NN)(H)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CF3)(NN)(H)	H(CCCH)	109.2600	0.033	2	109.2600	0.001	2	109.2600	0.001	2	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5a]O)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CC[5a]O)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.8660	0.000	1	108.8660	0.000	1	109.1566	0.104	9	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]O)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CC[6]O)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	109.1315	0.035	2	109.1315	0.001	2	109.1566	0.104	9	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]O)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CC[6]O)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.8295	0.042	2	108.8295	0.002	2	109.1566	0.104	9	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(H)2	C(CCHH)(CCHN)(OC)(H)	H(CCCH)	C(CN[5]O)(CCHO)(H)2	C(CCHH)(CCHN)(OC)(H)	H(CCCH)	109.6705	0.026	2	109.6705	0.001	2	109.1566	0.104	9	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CN[5]O)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	109.1400	0.027	2	109.1400	0.001	2	109.1566	0.104	9	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CC[6a]O)(CCHS)(H)2	C(CCHH)2(SC)(H)	H(CCCH)	C(CC[6a]O)(CCHS)(H)2	C(CCHH)2(SC)(H)	H(CCCH)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2)(CCHO)(H)2	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CCHO)(H)2	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.6493	0.628	13	108.6493	0.394	13	108.6789	0.265	19	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]N[5]2)(CCHO)(H)2	C(CC[5]HH)(CH3)(OH)(H)	H(CC[5]CH)	C(C[5]N[5]2)(CCHO)(H)2	C(CC[5]HH)(CH3)(OH)(H)	H(CC[5]CH)	108.7432	0.025	6	108.7432	0.001	6	108.6789	0.265	19	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C(CC[5a]HH)(CH3)(OC)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C(CC[5a]HH)(CH3)(OC)(H)	H(CC[5a]CH)	108.9495	0.008	2	108.9495	0.000	2	108.3813	2.878	19	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5a]N[5a]2)(CCHO)(H)2	C(CC[5a]HH)(CH3)(OH)(H)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHO)(H)2	C(CC[5a]HH)(CH3)(OH)(H)	H(CC[5a]CH)	107.9153	1.899	11	107.9153	3.608	11	108.3813	2.878	19	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CC[5a]HH)(CCl3)(OH)(H)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CC[5a]HH)(CCl3)(OH)(H)	H(CC[5a]CH)	110.5010	1.918	2	110.5010	3.677	2	108.3813	2.878	19	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CC[5a]HH)(CH3)(OH)(H)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CC[5a]HH)(CH3)(OH)(H)	H(CC[5a]CH)	108.3187	0.082	4	108.3187	0.007	4	108.3813	2.878	19	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CC[6a]ClH)(CH3)(NC)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CC[6a]ClH)(CH3)(NC)(H)	H(CC[6a]ClC)	110.8500	0.482	2	110.8500	0.233	2	110.8500	0.233	2	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C(CC[6a]ClH)(CCHH)(OP)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C(CC[6a]ClH)(CCHH)(OP)(H)	H(CC[6a]ClC)	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	H(CC[6a]ClC)	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:F-1:	C-4:	C(C[6a]C[6a]2)(CCCF)(H)2	C(CC[6a]HH)(CCHH)(CC)(F)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCF)(H)2	C(CC[6a]HH)(CCHH)(CC)(F)	H(CC[6a]CH)	108.8090	0.027	2	108.8090	0.001	2	108.8090	0.001	2	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	H(CC[6a]CH)	108.8325	0.043	2	108.8325	0.002	2	109.1919	0.112	8	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CC)(H)	H(CC[6a]CH)	109.1425	0.054	2	109.1425	0.003	2	109.1919	0.112	8	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CN)(H)	H(CC[6a]CH)	109.3962	0.340	4	109.3962	0.116	4	109.1919	0.112	8	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	H(CC[6a]CH)	108.9867	0.143	3	108.9867	0.021	3	108.8398	0.046	10	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NN)(H)	H(CC[6a]CH)	108.9595	0.016	2	108.9595	0.000	2	108.8398	0.046	10	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HO)(NN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HO)(NN)(H)	H(CC[6a]CH)	108.7623	0.282	3	108.7623	0.079	3	108.8398	0.046	10	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NC)(H)	H(CC[6a]CH)	108.6160	0.079	2	108.6160	0.006	2	108.8398	0.046	10	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C(CC[6a]HH)(CCCO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C(CC[6a]HH)(CCCO)(OH)(H)	H(CC[6a]CH)	109.3312	0.224	4	109.3312	0.050	4	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCCH)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCCH)(OC)(H)	H(CC[6a]CH)	108.8810	0.014	2	108.8810	0.000	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCCH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCCH)(OH)(H)	H(CC[6a]CH)	109.4445	0.035	2	109.4445	0.001	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	H(CC[6a]CH)	108.7117	0.180	3	108.7117	0.032	3	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CC[6a]CH)	108.2427	0.316	21	108.2427	0.100	21	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHN)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHN)(OH)(H)	H(CC[6a]CH)	107.5170	1.281	2	107.5170	1.642	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OC)(H)	H(CC[6a]CH)	109.0425	0.062	2	109.0425	0.004	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OH)(H)	H(CC[6a]CH)	108.5049	0.991	11	108.5049	0.983	11	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OSi)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OSi)(H)	H(CC[6a]CH)	108.5070	0.008	2	108.5070	0.000	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OTi)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OTi)(H)	H(CC[6a]CH)	109.0207	0.281	4	109.0207	0.079	4	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CC[6]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CC[6]HH)(OH)(H)	H(CC[6a]CH)	108.9225	0.025	4	108.9225	0.001	4	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	H(CC[6a]CH)	108.3725	0.423	4	108.3725	0.179	4	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CClCH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CClCH)(OH)(H)	H(CC[6a]CH)	109.2635	0.022	2	109.2635	0.000	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CH3)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CH3)(OC)(H)	H(CC[6a]CH)	109.0979	0.331	10	109.0979	0.109	10	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CH3)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CH3)(OH)(H)	H(CC[6a]CH)	108.9587	0.258	14	108.9587	0.067	14	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	H(CC[6a]CH)	108.7320	0.346	6	108.7320	0.120	6	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OC)(H)	H(CC[6a]CH)	109.2345	0.028	2	109.2345	0.001	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OH)(H)	H(CC[6a]CH)	109.0280	0.004	2	109.0280	0.000	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]CH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]CH)(OH)(H)	H(CC[6a]CH)	108.6895	0.604	4	108.6895	0.364	4	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]HH)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]HH)(OC)(H)	H(CC[6a]CH)	109.0135	0.016	2	109.0135	0.000	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[6]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[6]HH)(OH)(H)	H(CC[6a]CH)	108.3485	0.026	2	108.3485	0.001	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CC[6a]CH)	108.7730	0.271	4	108.7730	0.073	4	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CC[6a]HH)(CCl2H)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CC[6a]HH)(CCl2H)(OH)(H)	H(CC[6a]CH)	108.6000	0.011	2	108.6000	0.000	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CC[6a]HH)(CH3)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CC[6a]HH)(CH3)(OH)(H)	H(CC[6a]CH)	108.8420	0.094	4	108.8420	0.009	4	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]N[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCl3)(OH)(H)	H(CC[6a]CH)	C(C[6a]N[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCl3)(OH)(H)	H(CC[6a]CH)	109.2180	0.011	2	109.2180	0.000	2	108.7315	0.301	117	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Se-2:H-1:	C-4:	C(C[6a]C[6a]2)(CSeCH)(H)2	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSeCH)(H)2	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	H(CC[6a]CH)	108.7485	0.022	2	108.7485	0.000	2	108.7485	0.000	2	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HO)(H)2	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HO)(H)2	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	108.5560	0.033	2	108.5560	0.001	2	108.5560	0.001	2	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	H(CC[6a]CH)	108.0992	1.076	4	108.0992	1.157	4	108.3966	0.529	14	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	108.5220	0.106	2	108.5220	0.011	2	108.3966	0.529	14	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	H(CC[6a]CH)	109.1035	0.030	4	109.1035	0.001	4	108.3966	0.529	14	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	H(CC[6a]CH)	107.9245	0.191	4	107.9245	0.036	4	108.3966	0.529	14	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(NC[6a]H)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CC)(H)	H(CCHN)	C(NC[6a]H)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CC)(H)	H(CCHN)	108.9615	0.023	2	108.9615	0.001	2	108.9615	0.001	2	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[5a]C[6a])(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	C(NC[5a]C[6a])(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	108.4400	0.038	2	108.4400	0.001	2	108.7400	0.467	13	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6]H)(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	C(NC[6]H)(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	109.5550	0.092	2	109.5550	0.008	2	108.7400	0.467	13	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6]S)(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	C(NC[6]S)(CCHO)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	108.4770	0.000	1	108.4770	0.000	1	108.7400	0.467	13	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CCHO)(H)2	C(CCHO)(CHHN)(OSi)(H)	H(CCHN)	C(NC[6a]H)(CCHO)(H)2	C(CCHO)(CHHN)(OSi)(H)	H(CCHN)	108.2415	1.299	2	108.2415	1.687	2	108.7400	0.467	13	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NC[6a]H)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	108.0605	0.005	2	108.0605	0.000	2	108.7400	0.467	13	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	H(CCHN)	C(NC[6a]H)(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	H(CCHN)	108.8725	0.009	2	108.8725	0.000	2	108.7400	0.467	13	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6a]S)(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	C(NC[6a]S)(CCHO)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	109.4020	0.007	2	109.4020	0.000	2	108.7400	0.467	13	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHO)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	H(CN[5]CH)	C(N[5]C[5,6]C[5])(CCHO)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	H(CN[5]CH)	108.4495	0.108	4	108.4495	0.012	4	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]HH)(OC)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]HH)(OC)(H)	H(CN[5]CH)	109.1985	0.009	2	109.1985	0.000	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CC3)(OB)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CC3)(OB)(H)	H(CN[5]CH)	108.9960	0.023	2	108.9960	0.001	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCCH)(OH)(H)	H(CN[5]CH)	109.3055	0.006	2	109.3055	0.000	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	H(CN[5]CH)	108.9890	0.020	2	108.9890	0.000	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CClHH)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CClHH)(OH)(H)	H(CN[5]CH)	109.4940	0.040	2	109.4940	0.002	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CH3)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CH3)(OH)(H)	H(CN[5]CH)	108.9695	0.036	2	108.9695	0.001	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	H(CN[5]CH)	108.6460	2.018	2	108.6460	4.073	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	H(CN[5]CH)	109.0730	0.008	2	109.0730	0.000	2	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OH)(H)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OH)(H)	H(CN[5]CH)	108.1290	0.132	4	108.1290	0.017	4	108.8190	0.376	24	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:Se-2:H-1:	C-4:	C(N[5]C[5]2)(CSeCH)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CSeCH)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	H(CN[5]CH)	108.7285	0.159	4	108.7285	0.025	4	108.7285	0.025	4	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CN[5a]HH)(CH3)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CN[5a]HH)(CH3)(OC)(H)	H(CN[5a]CH)	109.0192	0.330	4	109.0192	0.109	4	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CN[5a]HH)(CN[6]HH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CN[5a]HH)(CN[6]HH)(OH)(H)	H(CN[5a]CH)	109.2695	0.145	2	109.2695	0.021	2	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	H(CN[5a]CH)	109.2950	0.031	2	109.2950	0.001	2	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CClHH)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CClHH)(OC)(H)	H(CN[5a]CH)	109.0515	0.143	4	109.0515	0.020	4	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	H(CN[5a]CH)	109.3813	1.729	26	109.3813	2.990	26	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CH3)(OC)(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CH3)(OC)(H)	H(CN[5a]CH)	109.0485	0.094	4	109.0485	0.009	4	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CH3)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CN[5a]HH)(CH3)(OH)(H)	H(CN[5a]CH)	109.0527	0.122	9	109.0527	0.015	9	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CCHH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CCHH)(OH)(H)	H(CN[5a]CH)	108.9920	0.018	2	108.9920	0.000	2	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CH3)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)(CH3)(OH)(H)	H(CN[5a]CH)	109.0270	0.031	2	109.0270	0.001	2	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)2(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)2(OH)(H)	H(CN[5a]CH)	108.9942	0.469	6	108.9942	0.220	6	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5a]N[5a]2)(CCHO)(H)2	C(CN[5a]HH)2(OH)(H)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCHO)(H)2	C(CN[5a]HH)2(OH)(H)	H(CN[5a]CH)	109.5555	0.035	2	109.5555	0.001	2	109.2080	1.265	63	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	108.9410	0.185	4	108.9410	0.034	4	108.9860	0.036	5	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	H(CN[5a]CH)	109.1660	0.000	1	109.1660	0.000	1	108.9860	0.036	5	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]B[6]C[6])(CCHO)(H)2	C(CN[6]HH)(CH3)(OB)(H)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHO)(H)2	C(CN[6]HH)(CH3)(OB)(H)	H(CN[6]CH)	109.1520	0.018	2	109.1520	0.000	2	108.8983	0.216	16	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	H(CN[6]CH)	109.5415	0.009	2	109.5415	0.000	2	108.8983	0.216	16	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CC[6a]HH)(CN[6]HH)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	C(CC[6a]HH)(CN[6]HH)(OH)(H)	H(CN[6]CH)	108.6855	0.018	2	108.6855	0.000	2	108.8983	0.216	16	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	H(CN[6]CH)	108.5385	0.009	2	108.5385	0.000	2	108.8983	0.216	16	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5a]HH)(CN[6]HH)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5a]HH)(CN[6]HH)(OH)(H)	H(CN[6]CH)	108.1685	0.226	2	108.1685	0.051	2	108.8983	0.216	16	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OC)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OC)(H)	H(CN[6]CH)	109.2510	0.218	4	109.2510	0.047	4	108.8983	0.216	16	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CN[6]CH)	108.5980	0.004	2	108.5980	0.000	2	108.8983	0.216	16	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6a]C[6a]2)(CCHO)(H)2	C(CN[6a]HH)(CCHO)(OH)(H)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHO)(H)2	C(CN[6a]HH)(CCHO)(OH)(H)	H(CN[6a]CH)	109.4023	0.033	4	109.4023	0.001	4	109.1803	0.119	6	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6a]C[6a]2)(CCHO)(H)2	C(CN[6a]HH)(CC[6]HH)(OH)(H)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCHO)(H)2	C(CN[6a]HH)(CC[6]HH)(OH)(H)	H(CN[6a]CH)	108.7365	0.046	2	108.7365	0.002	2	109.1803	0.119	6	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(PC[6a]2)(CCHO)(H)2	C(CCHO)(CHHP)(OC)(H)	H(CCHP)	C(PC[6a]2)(CCHO)(H)2	C(CCHO)(CHHP)(OC)(H)	H(CCHP)	108.8033	0.062	3	108.8033	0.004	3	108.8033	0.004	3	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OH)(H)	H(CCHS)	108.7425	0.035	2	108.7425	0.001	2	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	H(CCHS)	109.7180	0.027	2	109.7180	0.001	2	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CCCH)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CCCH)(CHHS)(OH)(H)	H(CCHS)	109.4501	0.326	7	109.4501	0.107	7	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CCl3)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CCl3)(CHHS)(OH)(H)	H(CCHS)	110.0250	0.064	4	110.0250	0.004	4	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CClHH)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CClHH)(CHHS)(OH)(H)	H(CCHS)	109.9090	0.017	2	109.9090	0.000	2	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CFFH)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CFFH)(CHHS)(OH)(H)	H(CCHS)	109.3183	0.278	3	109.3183	0.077	3	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CFHH)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CFHH)(CHHS)(OH)(H)	H(CCHS)	109.3053	0.132	4	109.3053	0.017	4	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CF3)(OH)(H)	H(CCHS)	C(SC[6a]O)(CCHO)(H)2	C(CHHS)(CF3)(OH)(H)	H(CCHS)	109.5423	0.391	6	109.5423	0.153	6	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]Pd)(CCHO)(H)2	C(CHHS)2(OH)(H)	H(CCHS)	C(SC[6a]Pd)(CCHO)(H)2	C(CHHS)2(OH)(H)	H(CCHS)	108.2735	0.424	4	108.2735	0.180	4	109.3681	0.320	34	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SeC[6a]Pd)(CCHO)(H)2	C(CSeHH)2(OH)(H)	H(CSeCH)	C(SeC[6a]Pd)(CCHO)(H)2	C(CSeHH)2(OH)(H)	H(CSeCH)	107.9920	0.170	4	107.9920	0.029	4	108.4558	0.347	37	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SeFe2)(CCHO)(H)2	C(CBrHH)(CSeHH)(OP)(H)	H(CSeCH)	C(SeFe2)(CCHO)(H)2	C(CBrHH)(CSeHH)(OP)(H)	H(CSeCH)	110.2860	0.014	2	110.2860	0.000	2	108.4558	0.347	37	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OC)(H)	H(CSeCH)	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OC)(H)	H(CSeCH)	108.7674	0.480	8	108.7674	0.230	8	108.4558	0.347	37	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OH)(H)	H(CSeCH)	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OH)(H)	H(CSeCH)	108.4003	0.216	15	108.4003	0.047	15	108.4558	0.347	37	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OP)(H)	H(CSeCH)	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OP)(H)	H(CSeCH)	108.0229	0.188	8	108.0229	0.035	8	108.4558	0.347	37	108.8549	0.633	420	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC[5a]HH)(CCCH)(CN)2	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC[5a]HH)(CCCH)(CN)2	H(CC[5a]CH)	108.3460	0.030	2	108.3460	0.001	2	108.3460	0.001	2	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:C-2:N-2:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	H(CC[5a]CH)	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	H(CC[6a]CH)	108.9800	0.020	2	108.9800	0.000	2	108.8178	0.028	13	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC[6a]HH)(CCHN)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC[6a]HH)(CCHN)(CN)2	H(CC[6a]CH)	108.7080	0.025	2	108.7080	0.001	2	108.8178	0.028	13	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]CH)(CC[6a]HH)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]CH)(CC[6a]HH)(CN)2	H(CC[6a]CH)	108.9720	0.010	2	108.9720	0.000	2	108.8178	0.028	13	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	H(CC[6a]CH)	108.9267	0.108	3	108.9267	0.012	3	108.8178	0.028	13	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)(CN)2	H(CC[6a]CH)	108.6330	0.071	4	108.6330	0.005	4	108.8178	0.028	13	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	H(CC[6a]CH)	108.5035	0.006	2	108.5035	0.000	2	108.4367	0.013	3	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:2:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(CN)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(CN)2	H(CC[6a]CH)	108.3030	0.000	1	108.3030	0.000	1	108.4367	0.013	3	108.6895	0.059	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	B[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(B[5]O[5]2)(CCCH)(H)2	C(CB[5]HH)(CCCH)(CHO)(H)	H(CB[5]CH)	C(B[5]O[5]2)(CCCH)(H)2	C(CB[5]HH)(CCCH)(CHO)(H)	H(CB[5]CH)	108.4855	0.056	2	108.4855	0.003	2	108.4855	0.003	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6]C)(CCCH)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	C(CC[6]C)(CCCH)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	110.0046	0.058	8	110.0046	0.003	8	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(CCHH)(CCO)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(CCHH)(CCO)(H)	H(CCCH)	109.3170	0.011	2	109.3170	0.000	2	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.6770	0.037	2	108.6770	0.001	2	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	108.7280	0.220	8	108.7280	0.049	8	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(CCH)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(CCH)(H)	H(CCCH)	108.9850	0.020	2	108.9850	0.000	2	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(COO)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(COO)(H)	H(CCCH)	109.1442	0.381	4	109.1442	0.145	4	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	H(CCCH)	108.4665	0.005	2	108.4665	0.000	2	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CN[5]O)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	H(CCCH)	C(CN[5]O)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	H(CCCH)	108.8980	0.000	1	108.8980	0.000	1	109.1802	0.343	29	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[5,6]O)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	C(CC[5,6]O)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	108.4965	0.542	4	108.4965	0.294	4	109.0094	0.226	13	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CF3)(NCO)(H)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CF3)(NCO)(H)	H(CCCH)	109.3530	0.000	1	109.3530	0.000	1	109.0094	0.226	13	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CF3)(NHS)(H)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CF3)(NHS)(H)	H(CCCH)	109.0920	0.229	4	109.0920	0.052	4	109.0094	0.226	13	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CH3)(NHS)(H)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CH3)(NHS)(H)	H(CCCH)	109.3575	0.059	2	109.3575	0.003	2	109.0094	0.226	13	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	109.3500	0.014	2	109.3500	0.000	2	109.0094	0.226	13	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CC[6a]O)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	109.9450	1.670	2	109.9450	2.790	2	109.9450	2.790	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C-3:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCHP)(H)2	C(PC[6a]2O)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]O)(CCHP)(H)2	C(PC[6a]2O)(CCHH)(CCH)(H)	H(CCCH)	109.3200	0.072	2	109.3200	0.005	2	109.3200	0.005	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C(CC[5,6]HH)(CCCH)(CCO)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C(CC[5,6]HH)(CCCH)(CCO)(H)	H(CC[5,6]CH)	107.7670	0.028	2	107.7670	0.001	2	107.7670	0.001	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	H(CC[5]CH)	108.0157	0.050	4	108.0157	0.003	4	108.0157	0.003	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(C[5]N[5]2)(CCHO)(H)2	C(CC[5]HH)2(OCu2)(H)	H(CC[5]CH)	C(C[5]N[5]2)(CCHO)(H)2	C(CC[5]HH)2(OCu2)(H)	H(CC[5]CH)	109.4935	0.159	4	109.4935	0.025	4	109.4935	0.025	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NCoHH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NCoHH)(COO)(H)	H(CC[5]CH)	109.2815	0.022	2	109.2815	0.000	2	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NFeCH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NFeCH)(COO)(H)	H(CC[5]CH)	108.5017	0.539	6	108.5017	0.290	6	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NH3)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NH3)(COO)(H)	H(CC[5]CH)	108.6969	1.021	73	108.6969	1.043	73	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NMoHH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NMoHH)(COO)(H)	H(CC[5]CH)	108.8667	0.157	6	108.8667	0.025	6	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NNiCH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NNiCH)(COO)(H)	H(CC[5]CH)	108.4085	0.021	2	108.4085	0.000	2	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NNiHH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NNiHH)(COO)(H)	H(CC[5]CH)	108.0785	0.005	2	108.0785	0.000	2	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NReHH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NReHH)(COO)(H)	H(CC[5]CH)	108.2212	0.387	4	108.2212	0.149	4	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NRuHH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NRuHH)(COO)(H)	H(CC[5]CH)	108.9325	0.040	2	108.9325	0.002	2	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NTcHH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(NTcHH)(COO)(H)	H(CC[5]CH)	108.5405	0.023	2	108.5405	0.001	2	108.6713	0.818	99	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:B-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	C(CC[5a]HH)(BC[5]HH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	C(CC[5a]HH)(BC[5]HH)(COO)(H)	H(CC[5a]CH)	108.3690	0.000	1	108.3690	0.000	1	108.3690	0.000	1	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	H(CC[5a]CH)	108.3240	0.004	2	108.3240	0.000	2	108.7921	0.189	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	H(CC[5a]CH)	107.8760	0.004	2	107.8760	0.000	2	108.7921	0.189	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CC[5a]CH)	108.9922	0.262	9	108.9922	0.069	9	108.7921	0.189	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	H(CC[5a]CH)	108.9533	0.211	6	108.9533	0.044	6	108.7921	0.189	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	H(CC[5a]CH)	109.0150	0.077	3	109.0150	0.006	3	108.6780	0.103	20	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CHHN)(NNiC)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(CHHN)(NNiC)(H)	H(CC[5a]CH)	108.3922	0.368	6	108.3922	0.135	6	108.6780	0.103	20	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CC3)(NOO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CC3)(NOO)(H)	H(CC[5a]CH)	108.6910	0.000	1	108.6910	0.000	1	108.6780	0.103	20	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CHHO)(NHS)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CHHO)(NHS)(H)	H(CC[5a]CH)	108.8770	0.255	4	108.8770	0.065	4	108.6780	0.103	20	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHN)(H)2	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	H(CC[5a]CH)	108.5955	0.023	2	108.5955	0.001	2	108.6780	0.103	20	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHN)(H)2	C(CC[5a]HH)(CH3)(NCN)(H)	H(CC[5a]CH)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	C(CC[5a]HH)(CH3)(NCN)(H)	H(CC[5a]CH)	108.8315	0.013	2	108.8315	0.000	2	108.6780	0.103	20	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]N[5a]2)(CCHN)(H)2	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	H(CC[5a]CH)	C(C[5a]N[5a]2)(CCHN)(H)2	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	H(CC[5a]CH)	108.5545	0.022	2	108.5545	0.000	2	108.6780	0.103	20	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCHH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCHH)(COO)(H)	H(CC[5a]CH)	108.8960	0.045	2	108.8960	0.002	2	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCuCH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCuCH)(COO)(H)	H(CC[5a]CH)	108.2545	0.070	2	108.2545	0.005	2	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCuHH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NCuHH)(COO)(H)	H(CC[5a]CH)	108.3435	0.141	2	108.3435	0.020	2	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NH3)(CNO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NH3)(CNO)(H)	H(CC[5a]CH)	107.1185	3.666	8	107.1185	13.438	8	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NH3)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NH3)(COO)(H)	H(CC[5a]CH)	108.5219	0.886	56	108.5219	0.785	56	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NPdHH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]HH)(NPdHH)(COO)(H)	H(CC[5a]CH)	108.7280	0.020	2	108.7280	0.000	2	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(NCoHH)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(NCoHH)(COO)(H)	H(CC[5a]CH)	109.3740	0.038	2	109.3740	0.001	2	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(NH3)(COO)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(NH3)(COO)(H)	H(CC[5a]CH)	108.3003	0.335	6	108.3003	0.113	6	108.3896	1.956	80	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:S-4:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	H(CC[5a]CH)	108.7695	0.063	2	108.7695	0.004	2	108.7695	0.004	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	H(CC[5a]CH)	108.6823	0.265	3	108.6823	0.070	3	108.6823	0.070	3	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CC[6]CH)	C(C[6]C[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CC[6]CH)	108.4360	0.006	2	108.4360	0.000	2	108.4360	0.000	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NCuHH)(COO)(H)	H(CC[6]CH)	C(C[6]C[6]2)(CCHN)(H)2	C(CC[6]HH)(NCuHH)(COO)(H)	H(CC[6]CH)	109.1790	1.867	4	109.1790	3.487	4	108.9488	2.220	6	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6]C[6]N[6])(CCHN)(H)2	C(CC[6]HH)(NH3)(COO)(H)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHN)(H)2	C(CC[6]HH)(NH3)(COO)(H)	H(CC[6]CH)	108.4885	0.032	2	108.4885	0.001	2	108.9488	2.220	6	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	H(CC[6]CH)	109.4010	0.112	4	109.4010	0.013	4	109.4026	0.009	8	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	H(CC[6]CH)	109.4800	0.008	2	109.4800	0.000	2	109.4026	0.009	8	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(COO)(H)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCHP)(H)2	C(PC[6a]2Pd)(CC[6]HH)(COO)(H)	H(CC[6]CH)	109.3285	0.026	2	109.3285	0.001	2	109.4026	0.009	8	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C(CC[6a]ClH)(CCHH)(CCO)(H)	H(CC[6a]ClC)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C(CC[6a]ClH)(CCHH)(CCO)(H)	H(CC[6a]ClC)	105.4700	0.000	1	105.4700	0.000	1	105.4700	0.000	1	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	H(CC[6a]CF)	109.0990	0.344	2	109.0990	0.118	2	109.1088	0.043	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CC[6a]FH)(CFHH)(NHS)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CC[6a]FH)(CFHH)(NHS)(H)	H(CC[6a]CF)	109.1185	0.110	2	109.1185	0.012	2	109.1088	0.043	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:B-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CBCH)(H)2	C(CC[6a]HH)(BC[5]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBCH)(H)2	C(CC[6a]HH)(BC[5]HH)(COO)(H)	H(CC[6a]CH)	108.1065	0.316	2	108.1065	0.100	2	108.1065	0.100	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:F-1:	C-4:	C(C[6a]C[6a]2)(CCCF)(H)2	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCF)(H)2	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	H(CC[6a]CH)	108.5355	0.076	2	108.5355	0.006	2	108.5355	0.006	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)(COO)(H)	H(CC[6a]CH)	109.0365	0.006	2	109.0365	0.000	2	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CCH)(H)	H(CC[6a]CH)	109.2173	0.198	6	109.2173	0.039	6	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC[6a]CH)	109.0526	0.220	5	109.0526	0.048	5	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCN)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCN)(COO)(H)	H(CC[6a]CH)	109.3812	0.029	4	109.3812	0.001	4	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CCH)(H)	H(CC[6a]CH)	107.0590	0.420	2	107.0590	0.176	2	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CCN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CCN)(H)	H(CC[6a]CH)	108.9235	0.029	2	108.9235	0.001	2	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	H(CC[6a]CH)	109.0132	0.113	4	109.0132	0.013	4	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHN)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHN)(COO)(H)	H(CC[6a]CH)	109.2295	0.029	2	109.2295	0.001	2	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHO)(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHO)(CCH)(H)	H(CC[6a]CH)	109.1620	0.062	2	109.1620	0.004	2	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	H(CC[6a]CH)	109.6545	0.015	2	109.6545	0.000	2	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	H(CC[6a]CH)	108.3735	0.129	4	108.3735	0.017	4	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)(CCN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)(CCN)(H)	H(CC[6a]CH)	108.8510	0.089	2	108.8510	0.008	2	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)(CNO)(H)	H(CC[6a]CH)	108.8047	0.242	4	108.8047	0.058	4	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CNO)(H)	H(CC[6a]CH)	108.3170	0.202	4	108.3170	0.041	4	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	H(CC[6a]CH)	108.5015	0.096	4	108.5015	0.009	4	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]CH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]CH)(COO)(H)	H(CC[6a]CH)	107.4720	0.141	4	107.4720	0.020	4	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CCO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CCO)(H)	H(CC[6a]CH)	108.7849	0.472	8	108.7849	0.223	8	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CC[6a]O)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CC[6a]O)(H)	H(CC[6a]CH)	108.9415	0.237	12	108.9415	0.056	12	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(COO)(H)	H(CC[6a]CH)	108.7442	0.359	11	108.7442	0.129	11	108.7811	0.302	84	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NOO)(H)	H(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NOO)(H)	H(CC[6a]CH)	109.1655	0.016	2	109.1655	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	108.5450	0.008	2	108.5450	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	108.2643	0.699	3	108.2643	0.489	3	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	H(CC[6a]CH)	108.9857	0.174	3	108.9857	0.030	3	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC3)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC3)(NCH)(H)	H(CC[6a]CH)	109.5757	0.150	4	109.5757	0.022	4	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC3)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC3)(NHS)(H)	H(CC[6a]CH)	108.7420	0.013	2	108.7420	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCCH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCCH)(NCH)(H)	H(CC[6a]CH)	109.1905	0.019	2	109.1905	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCCN)(NOO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCCN)(NOO)(H)	H(CC[6a]CH)	109.2890	0.014	2	109.2890	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCCO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCCO)(NCH)(H)	H(CC[6a]CH)	109.0380	0.061	2	109.0380	0.004	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CC[6a]CH)	108.6437	0.406	44	108.6437	0.165	44	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCS)(H)	H(CC[6a]CH)	107.4125	1.630	2	107.4125	2.657	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NHS)(H)	H(CC[6a]CH)	108.1805	0.036	2	108.1805	0.001	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHN)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHN)(NCC)(H)	H(CC[6a]CH)	108.6930	0.354	6	108.6930	0.125	6	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHN)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHN)(NHS)(H)	H(CC[6a]CH)	108.2875	0.033	2	108.2875	0.001	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CC[6a]CH)	108.2629	0.469	7	108.2629	0.220	7	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CC[6a]CH)	108.9640	0.288	29	108.9640	0.083	29	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NHH)(H)	H(CC[6a]CH)	109.0375	0.424	4	109.0375	0.179	4	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NHS)(H)	H(CC[6a]CH)	108.5468	0.215	6	108.5468	0.046	6	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	H(CC[6a]CH)	109.4010	0.024	2	109.4010	0.001	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	H(CC[6a]CH)	108.6070	0.000	1	108.6070	0.000	1	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	H(CC[6a]CH)	108.4230	0.483	4	108.4230	0.233	4	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CH)	108.9060	0.007	2	108.9060	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CClHH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CClHH)(NCH)(H)	H(CC[6a]CH)	108.9742	0.138	6	108.9742	0.019	6	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NHH)(H)	H(CC[6a]CH)	108.4600	0.024	2	108.4600	0.001	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NHS)(H)	H(CC[6a]CH)	108.7710	0.019	4	108.7710	0.000	4	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	H(CC[6a]CH)	108.6726	0.362	32	108.6726	0.131	32	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	H(CC[6a]CH)	108.8241	0.220	55	108.8241	0.049	55	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CC[6a]CH)	108.9078	0.262	18	108.9078	0.069	18	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NHS)(H)	H(CC[6a]CH)	108.6390	0.025	2	108.6390	0.001	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NIrC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NIrC)(H)	H(CC[6a]CH)	108.7480	0.052	2	108.7480	0.003	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHP)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHP)(NCC)(H)	H(CC[6a]CH)	108.4730	0.040	2	108.4730	0.002	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	H(CC[6a]CH)	109.0658	0.069	4	109.0658	0.005	4	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NHS)(H)	H(CC[6a]CH)	108.4095	0.009	2	108.4095	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHOP)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHOP)(NCC)(H)	H(CC[6a]CH)	108.3335	0.028	2	108.3335	0.001	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CPdOO)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CPdOO)(NCH)(H)	H(CC[6a]CH)	108.7065	0.022	2	108.7065	0.000	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CSeHH)(NHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CSeHH)(NHH)(H)	H(CC[6a]CH)	108.7395	0.026	2	108.7395	0.001	2	108.7604	0.159	268	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCCH)(CClO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCCH)(CClO)(H)	H(CC[6a]CH)	108.5375	0.026	2	108.5375	0.001	2	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	H(CC[6a]CH)	108.5570	0.165	7	108.5570	0.027	7	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCoHH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCoHH)(COO)(H)	H(CC[6a]CH)	108.5798	0.135	13	108.5798	0.018	13	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuCH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuCH)(CNO)(H)	H(CC[6a]CH)	108.3502	0.097	5	108.3502	0.009	5	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuCH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuCH)(COO)(H)	H(CC[6a]CH)	108.8798	0.554	6	108.8798	0.307	6	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuHH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuHH)(CNO)(H)	H(CC[6a]CH)	108.4197	0.233	12	108.4197	0.054	12	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuHH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCuHH)(COO)(H)	H(CC[6a]CH)	108.9118	0.340	17	108.9118	0.116	17	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NH3)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NH3)(CNO)(H)	H(CC[6a]CH)	108.8928	0.803	31	108.8928	0.645	31	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NH3)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NH3)(COO)(H)	H(CC[6a]CH)	108.4938	0.572	197	108.4938	0.328	197	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiCC)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiCC)(CNO)(H)	H(CC[6a]CH)	109.1110	0.016	2	109.1110	0.000	2	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiCH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiCH)(CNO)(H)	H(CC[6a]CH)	108.3045	0.333	4	108.3045	0.111	4	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiHH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiHH)(CNO)(H)	H(CC[6a]CH)	108.6890	0.007	2	108.6890	0.000	2	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiHH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NNiHH)(COO)(H)	H(CC[6a]CH)	108.8181	0.400	31	108.8181	0.160	31	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NOsCH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NOsCH)(COO)(H)	H(CC[6a]CH)	108.8535	0.036	2	108.8535	0.001	2	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NPdCC)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NPdCC)(COO)(H)	H(CC[6a]CH)	108.7125	0.196	4	108.7125	0.038	4	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NPdHH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NPdHH)(COO)(H)	H(CC[6a]CH)	109.4180	0.013	2	109.4180	0.000	2	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NRuHH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NRuHH)(COO)(H)	H(CC[6a]CH)	109.2550	0.000	1	109.2550	0.000	1	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NTcHH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NTcHH)(CNO)(H)	H(CC[6a]CH)	109.0150	0.000	1	109.0150	0.000	1	108.6044	0.312	339	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CHNP)(H)2	C(CC[6a]HH)(PCOO)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNP)(H)2	C(CC[6a]HH)(PCOO)(NHS)(H)	H(CC[6a]CH)	108.8250	0.035	2	108.8250	0.001	2	108.8250	0.001	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[3]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]CH)(H)2	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]CH)(H)2	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	H(CC[6a]CH)	108.8300	0.000	2	108.8300	0.000	2	108.8300	0.000	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HN)(H)2	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3]HN)(H)2	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	H(CC[6a]CH)	107.8105	1.085	4	107.8105	1.178	4	107.8105	1.178	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	H(CC[6a]CH)	108.9810	0.140	7	108.9810	0.020	7	108.9810	0.020	7	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	H(CC[6a]CH)	109.1205	0.016	2	109.1205	0.000	2	109.0838	0.034	8	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	H(CC[6a]CH)	109.0715	0.218	6	109.0715	0.048	6	109.0838	0.034	8	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	H(CC[6a]CH)	108.9575	0.029	2	108.9575	0.001	2	108.4726	1.672	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	108.9281	0.329	8	108.9281	0.108	8	108.4726	1.672	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	107.3755	0.047	2	107.3755	0.002	2	108.4726	1.672	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	H(CC[6a]CH)	109.2343	0.085	4	109.2343	0.007	4	108.4726	1.672	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	105.2290	0.602	2	105.2290	0.363	2	108.4726	1.672	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	H(CC[6a]CH)	109.4940	0.000	1	109.4940	0.000	1	108.4726	1.672	19	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	H(CC[6a]CH)	108.5815	0.056	2	108.5815	0.003	2	108.6437	0.006	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	H(CC[6a]CH)	108.7060	0.018	2	108.7060	0.000	2	108.6437	0.006	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HN)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]HN)(H)2	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	H(CC[6a]CH)	109.1725	0.037	2	109.1725	0.001	2	109.1725	0.001	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CCH)(H)	H(CCHN)	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CCH)(H)	H(CCHN)	109.4150	0.051	4	109.4150	0.003	4	109.0520	0.122	10	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CNO)(H)	H(CCHN)	C(NC[6a]S)(CCCH)(H)2	C(CHHN)(CH3)(CNO)(H)	H(CCHN)	108.6255	0.138	2	108.6255	0.019	2	109.0520	0.122	10	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NC[6a]S)(CCCH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	C(NC[6a]S)(CCCH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	108.9023	0.175	4	108.9023	0.031	4	109.0520	0.122	10	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(NC[3]C)(CCHN)(H)2	C(CCCH)(CHHN)(NCC)(H)	H(CCHN)	C(NC[3]C)(CCHN)(H)2	C(CCCH)(CHHN)(NCC)(H)	H(CCHN)	109.5370	0.000	1	109.5370	0.000	1	108.9337	3.553	7	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(NC[6a]C)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	H(CCHN)	C(NC[6a]C)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	H(CCHN)	108.7300	2.631	4	108.7300	6.921	4	108.9337	3.553	7	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NOO)(H)	H(CCHN)	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NOO)(H)	H(CCHN)	109.0395	0.049	2	109.0395	0.002	2	108.9337	3.553	7	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NC[5]Ni)(CCHO)(H)2	C(CHHN)2(ONi2)(H)	H(CCHN)	C(NC[5]Ni)(CCHO)(H)2	C(CHHN)2(ONi2)(H)	H(CCHN)	110.3462	0.239	4	110.3462	0.057	4	110.3462	0.057	4	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	H(CN[5]CH)	108.9726	0.272	13	108.9726	0.074	13	108.9690	0.099	23	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	H(CN[5]CH)	109.0135	0.365	4	109.0135	0.134	4	108.9690	0.099	23	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCCH)(CCH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCCH)(CCH)(H)	H(CN[5]CH)	109.4715	0.022	2	109.4715	0.000	2	108.9690	0.099	23	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	H(CN[5]CH)	108.6617	0.046	4	108.6617	0.002	4	108.9690	0.099	23	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OCu2)(H)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OCu2)(H)	H(CN[5]CH)	109.4100	0.140	4	109.4100	0.019	4	109.2136	0.053	8	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OZn2)(H)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OZn2)(H)	H(CN[5]CH)	109.0173	0.025	4	109.0173	0.001	4	109.2136	0.053	8	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(CCCH)(SRhC)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCHS)(H)2	C(CN[5]HH)(CCCH)(SRhC)(H)	H(CN[5]CH)	109.4655	0.620	2	109.4655	0.385	2	109.4655	0.385	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	H(CN[5a]CH)	108.9257	0.068	4	108.9257	0.005	4	108.9881	0.009	7	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)(CNO)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)(CNO)(H)	H(CN[5a]CH)	109.0990	0.000	1	109.0990	0.000	1	108.9881	0.009	7	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5a]N[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CH3)(CNO)(H)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CH3)(CNO)(H)	H(CN[5a]CH)	109.0575	0.006	2	109.0575	0.000	2	108.9881	0.009	7	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NHS)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NHS)(H)	H(CN[6]CH)	106.6755	0.606	2	106.6755	0.367	2	106.6755	0.367	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(PC[6a]2)(CCCH)(H)2	C(CC[6a]HO)(CHHP)(COO)(H)	H(CCHP)	C(PC[6a]2)(CCCH)(H)2	C(CC[6a]HO)(CHHP)(COO)(H)	H(CCHP)	109.5560	0.021	2	109.5560	0.000	2	109.5560	0.000	2	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(SCdCo)(CCHN)(H)2	C(NCoHH)(CHHS)(COO)(H)	H(CCHS)	C(SCdCo)(CCHN)(H)2	C(NCoHH)(CHHS)(COO)(H)	H(CCHS)	110.0766	0.196	5	110.0766	0.038	5	110.1533	0.033	9	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:1:	4:	S-3:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(SCoCu)(CCHN)(H)2	C(NCoHH)(CHHS)(COO)(H)	H(CCHS)	C(SCoCu)(CCHN)(H)2	C(NCoHH)(CHHS)(COO)(H)	H(CCHS)	110.2493	0.123	4	110.2493	0.015	4	110.1533	0.033	9	108.7196	0.536	1120	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[5]C)(CCCO)(H)2	C(CCHH)(CF3)(CCH)(OH)	H(CCCH)	C(CC[5]C)(CCCO)(H)2	C(CCHH)(CF3)(CCH)(OH)	H(CCCH)	108.0345	0.019	2	108.0345	0.000	2	108.9763	0.307	9	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[6a]C)(CCCO)(H)2	C(CCHH)(CF3)(COO)(OH)	H(CCCH)	C(CC[6a]C)(CCCO)(H)2	C(CCHH)(CF3)(COO)(OH)	H(CCCH)	109.2454	0.170	7	109.2454	0.029	7	108.9763	0.307	9	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[5]C[5]O[5])(CCCO)(H)2	C(CC[5]HH)(CF3)(COO)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5])(CCCO)(H)2	C(CC[5]HH)(CF3)(COO)(OH)	H(CC[5]CH)	108.8625	0.023	2	108.8625	0.001	2	108.8625	0.001	2	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	H(CC[5a]CH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	H(CC[5a]CH)	108.9980	0.018	2	108.9980	0.000	2	108.9980	0.000	2	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6]C[6]2)(CCCO)(H)2	C(CC[6]HH)(CF3)(COO)(OH)	H(CC[6]CH)	C(C[6]C[6]2)(CCCO)(H)2	C(CC[6]HH)(CF3)(COO)(OH)	H(CC[6]CH)	109.3200	0.048	2	109.3200	0.002	2	109.3200	0.002	2	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	H(CC[6a]BrC)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	H(CC[6a]BrC)	107.4220	0.000	1	107.4220	0.000	1	107.4220	0.000	1	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(COO)(CN)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(COO)(CN)	H(CC[6a]CH)	108.9345	0.166	4	108.9345	0.027	4	108.9345	0.027	4	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCCH)(COO)(NPd)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCCH)(COO)(NPd)	H(CC[6a]CH)	109.7680	0.016	2	109.7680	0.000	2	109.0770	0.338	8	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCCN)(COO)(NC)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCCN)(COO)(NC)	H(CC[6a]CH)	109.1295	0.202	4	109.1295	0.041	4	109.0770	0.338	8	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHN)(COO)(NC)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHN)(COO)(NC)	H(CC[6a]CH)	108.2810	0.103	2	108.2810	0.011	2	109.0770	0.338	8	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCHH)(COO)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCHH)(COO)(OH)	H(CC[6a]CH)	108.5450	0.049	4	108.5450	0.002	4	108.7738	0.052	12	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCHN)(COO)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCHN)(COO)(OH)	H(CC[6a]CH)	109.0340	0.016	2	109.0340	0.000	2	108.7738	0.052	12	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	H(CC[6a]CH)	108.8050	0.165	4	108.8050	0.027	4	108.7738	0.052	12	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CC[6a]HH)(CH3)(CCO)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CC[6a]HH)(CH3)(CCO)(OH)	H(CC[6a]CH)	108.9085	0.305	2	108.9085	0.093	2	108.7738	0.052	12	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:C-3:C-2:	C-4:	C(C[6a]C[6a]2)(CCCS)(H)2	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCS)(H)2	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	H(CC[6a]CH)	108.8990	0.006	2	108.8990	0.000	2	108.8990	0.000	2	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:2:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)(CHH)(SS)	H(CCHN)	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)(CHH)(SS)	H(CCHN)	108.9120	3.154	2	108.9120	9.946	2	108.9120	9.946	2	108.9053	0.430	44	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC[6]O)(CC3)(H)2	C(CCHH)(CH3)(CCH)(CCO)	H(CCCH)	C(CC[6]O)(CC3)(H)2	C(CCHH)(CH3)(CCH)(CCO)	H(CCCH)	108.2890	0.041	2	108.2890	0.002	2	108.6960	0.093	8	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC[6a]C)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CC[6a]C)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	109.0490	0.025	2	109.0490	0.001	2	108.6960	0.093	8	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC[6a]C)(CC3)(H)2	C(CC[6]HH)(CCHH)(COO)2	H(CCCH)	C(CC[6a]C)(CC3)(H)2	C(CC[6]HH)(CCHH)(COO)2	H(CCCH)	108.8490	0.014	2	108.8490	0.000	2	108.6960	0.093	8	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC[6a]O)(CC3)(H)2	C(CCHH)2(CCH)(COO)	H(CCCH)	C(CC[6a]O)(CC3)(H)2	C(CCHH)2(CCH)(COO)	H(CCCH)	108.5970	0.020	2	108.5970	0.000	2	108.6960	0.093	8	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[5a]C[5a]2)(CC3)(H)2	C(CC[5a]HH)(CCHH)(COO)2	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC3)(H)2	C(CC[5a]HH)(CCHH)(COO)2	H(CC[5a]CH)	108.6020	0.262	4	108.6020	0.068	4	108.7855	0.563	10	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)(CC[6a]CH)(COO)2	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)(CC[6a]CH)(COO)2	H(CC[5a]CH)	109.5655	0.078	2	109.5655	0.006	2	108.7855	0.563	10	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)2(CC[6a]O)(COO)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)2(CC[6a]O)(COO)	H(CC[5a]CH)	108.5790	1.054	4	108.5790	1.110	4	108.7855	0.563	10	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6]C[6]2)(CC3)(H)2	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	H(CC[6]CH)	C(C[6]C[6]2)(CC3)(H)2	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	H(CC[6]CH)	109.0090	0.011	2	109.0090	0.000	2	109.0090	0.000	2	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CC[6a]CH)	108.1232	0.813	8	108.1232	0.660	8	108.3246	0.186	57	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	H(CC[6a]CH)	108.3725	0.011	2	108.3725	0.000	2	108.3246	0.186	57	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CN[5a]HH)(COO)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CN[5a]HH)(COO)2	H(CC[6a]CH)	108.1930	0.123	4	108.1930	0.015	4	108.3246	0.186	57	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CCO)(COO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CCO)(COO)	H(CC[6a]CH)	108.4346	0.238	13	108.4346	0.057	13	108.3246	0.186	57	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CCO)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CCO)2	H(CC[6a]CH)	108.1529	0.458	8	108.1529	0.210	8	108.3246	0.186	57	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CHN)(COO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CHN)(COO)	H(CC[6a]CH)	108.6885	0.036	4	108.6885	0.001	4	108.3246	0.186	57	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(COO)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(COO)2	H(CC[6a]CH)	108.3542	0.365	18	108.3542	0.133	18	108.3246	0.186	57	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	H(CC[6a]CH)	107.5105	0.493	2	107.5105	0.243	2	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCCH)(CNO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCCH)(CNO)(NCH)	H(CC[6a]CH)	108.5585	0.015	2	108.5585	0.000	2	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCC)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCC)	H(CC[6a]CH)	108.0705	0.016	4	108.0705	0.000	4	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCH)	H(CC[6a]CH)	107.7960	0.120	3	107.7960	0.014	3	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHN)(COO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCHN)(COO)(NCH)	H(CC[6a]CH)	108.8212	0.374	6	108.8212	0.140	6	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	H(CC[6a]CH)	108.4513	0.517	4	108.4513	0.267	4	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)(CNO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)(CNO)(NCH)	H(CC[6a]CH)	106.3728	2.914	5	106.3728	8.492	5	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)2(COO)(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)2(COO)(NCH)	H(CC[6a]CH)	108.6529	0.228	12	108.6529	0.052	12	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)2(COO)(NOO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)2(COO)(NOO)	H(CC[6a]CH)	108.5512	0.356	4	108.5512	0.127	4	108.2010	1.480	42	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:S-3:S-3:	C-4:	C(C[6a]C[6a]2)(CCSS)(H)2	C(CC[6a]HH)2(SRh2)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCSS)(H)2	C(CC[6a]HH)2(SRh2)2	H(CC[6a]CH)	107.6040	0.830	10	107.6040	0.689	10	107.6040	0.689	10	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:Si-4:Ga-3:Ga-3:	C-4:	C(C[6a]C[6a]2)(CGa2Si)(H)2	C(CC[6a]HH)(SiC3)(GaCC)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CGa2Si)(H)2	C(CC[6a]HH)(SiC3)(GaCC)2	H(CC[6a]CH)	107.9610	0.021	2	107.9610	0.000	2	107.9610	0.000	2	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CC[5]CN)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CN)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	H(CC[6a]CH)	108.8220	0.016	2	108.8220	0.000	2	108.8220	0.000	2	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(NC[5a]S)(CC3)(H)2	C(CCHH)(CHHN)(CCH)(COO)	H(CCHN)	C(NC[5a]S)(CC3)(H)2	C(CCHH)(CHHN)(CCH)(COO)	H(CCHN)	108.8045	0.123	4	108.8045	0.015	4	108.8045	0.015	4	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:3:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC[6a]HH)(CN[5a]HH)(COO)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC[6a]HH)(CN[5a]HH)(COO)2	H(CN[5a]CH)	107.7010	0.037	4	107.7010	0.001	4	107.7010	0.001	4	108.2980	0.687	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:O-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)2(OCr2)(CC3)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)2(OCr2)(CC3)	H(CC[6]CH)	107.4502	0.238	4	107.4502	0.057	4	107.6073	0.093	6	108.7411	1.213	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:O-3:C-4:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	H(CC[6]CH)	107.9215	0.011	2	107.9215	0.000	2	107.6073	0.093	6	108.7411	1.213	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	H(CC[6a]CH)	108.0030	0.014	2	108.0030	0.000	2	108.0030	0.000	2	108.7411	1.213	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:3:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(OCoFe)(CCCN)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	C(OCoFe)(CCCN)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	109.7759	0.227	8	109.7759	0.051	8	109.7759	0.051	8	108.7411	1.213	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	B-3:C-4:H-1:H-1:	B-4:P-4:C-4:H-1:	C-4:	C(BC[6a]2)(CBHP)(H)2	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	H(CBCH)	C(BC[6a]2)(CBHP)(H)2	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	H(CBCH)	111.0695	0.033	2	111.0695	0.001	2	111.0695	0.001	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:Br-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]O)(CCCH)(Br)(H)	C(CBrCH)(CCHH)(CH3)(H)	H(CBrCC)	C(CC[5]O)(CCCH)(Br)(H)	C(CBrCH)(CCHH)(CH3)(H)	H(CBrCC)	104.8350	0.000	1	104.8350	0.000	1	106.0780	3.090	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:Br-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]O)(CCCH)(Br)(H)	C(CBrCH)2(CH3)(H)	H(CBrCC)	C(CC[5]O)(CCCH)(Br)(H)	C(CBrCH)2(CH3)(H)	H(CBrCC)	107.3210	0.000	1	107.3210	0.000	1	106.0780	3.090	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]C)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[5]C)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	109.1710	0.008	2	109.1710	0.000	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]C)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	C(CC[5]C)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	109.2395	0.015	2	109.2395	0.000	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]O)(CCCH)(H)2	C(CBrCH)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]O)(CCCH)(H)2	C(CBrCH)(CCHH)(CH3)(H)	H(CCCH)	106.9575	1.251	2	106.9575	1.565	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]O)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[5]O)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	107.7675	0.747	8	107.7675	0.558	8	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]O)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]O)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCCH)	108.3800	0.647	4	108.3800	0.419	4	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]2)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[5a]2)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.5959	0.259	10	108.5959	0.067	10	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]O)(CCCH)(H)2	C(CCCH)2(CCHH)(H)	H(CCCH)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)2(CCHH)(H)	H(CCCH)	108.7290	0.013	2	108.7290	0.000	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]O)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[5a]O)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.3270	0.052	2	108.3270	0.003	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]O)(CCCH)(H)2	C(CC[6a]CC)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5a]O)(CCCH)(H)2	C(CC[6a]CC)(CCHH)(CH3)(H)	H(CCCH)	108.2640	0.019	3	108.2640	0.000	3	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]Pd)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6,6]Pd)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.6383	0.029	3	108.6383	0.001	3	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]C)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6a]C)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.3152	0.350	5	108.3152	0.122	5	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.6347	0.346	13	108.6347	0.119	13	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCCH)	109.1783	0.027	3	109.1783	0.001	3	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCCH)	108.3290	0.037	2	108.3290	0.001	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.2417	0.260	4	108.2417	0.068	4	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]CN)(CCHH)(CF3)(H)	H(CCCH)	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]CN)(CCHH)(CF3)(H)	H(CCCH)	109.0675	0.325	4	109.0675	0.106	4	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(H)2	C(CCCN)(CCHH)(CF3)(H)	H(CCCH)	C(CN[5]O)(CCCH)(H)2	C(CCCN)(CCHH)(CF3)(H)	H(CCCH)	109.3870	0.102	2	109.3870	0.010	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(H)2	C(CCHH)(CF3)(CH3)(H)	H(CCCH)	C(CN[5]O)(CCCH)(H)2	C(CCHH)(CF3)(CH3)(H)	H(CCCH)	109.5085	0.036	2	109.5085	0.001	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[5]O)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.8717	0.360	3	108.8717	0.130	3	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	C(CN[5]O)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	108.6675	0.152	4	108.6675	0.023	4	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(H)2	C(CC[6a]2O)(CCHH)(CH3)(H)	H(CCCH)	C(CN[5]O)(CCCH)(H)2	C(CC[6a]2O)(CCHH)(CH3)(H)	H(CCCH)	109.4237	0.062	4	109.4237	0.004	4	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5a]O)(CCCH)(H)2	C(CCCN)(CCHH)(CH3)(H)	H(CCCH)	C(CN[5a]O)(CCCH)(H)2	C(CCCN)(CCHH)(CH3)(H)	H(CCCH)	109.2150	0.058	2	109.2150	0.003	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6a]O)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[6a]O)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	109.1455	0.013	2	109.1455	0.000	2	108.6128	0.384	88	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CN[5a]O)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(H)	H(CCCH)	C(CN[5a]O)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(H)	H(CCCH)	109.2590	0.013	2	109.2590	0.000	2	109.2590	0.000	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C-3:C-4:H-1:H-1:	Si-4:Si-4:C-4:H-1:	C-4:	C(CC[6a]C)(CSi2H)(H)2	C(SiCl2C)2(CCHH)(H)	H(CCCH)	C(CC[6a]C)(CSi2H)(H)2	C(SiCl2C)2(CCHH)(H)	H(CCCH)	109.5685	0.071	2	109.5685	0.005	2	109.5685	0.005	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5])(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5])(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.7750	0.006	2	108.7750	0.000	2	108.5118	0.269	31	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CC[5]CH)	107.7695	1.011	4	107.7695	1.021	4	108.5118	0.269	31	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.7794	0.272	9	108.7794	0.074	9	108.5118	0.269	31	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)2(CCHH)(H)	H(CC[5]CH)	108.6267	0.433	7	108.6267	0.188	7	108.5118	0.269	31	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5])(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.3154	0.027	5	108.3154	0.001	5	108.5118	0.269	31	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]S[5])(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]S[5])(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.5840	0.014	2	108.5840	0.000	2	108.5118	0.269	31	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]N[5]O[5])(CCCH)(H)2	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]N[5]O[5])(CCCH)(H)2	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.5455	0.005	2	108.5455	0.000	2	108.5118	0.269	31	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	H(CC[5]CH)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	H(CC[5]CH)	109.2391	0.968	12	109.2391	0.938	12	109.2391	0.938	12	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C-4:P-4:P-4:H-1:	C-4:	C(C[5]N[5]S[5])(CHPP)(H)2	C(CC[5]HH)(PO3)2(H)	H(CC[5]CH)	C(C[5]N[5]S[5])(CHPP)(H)2	C(CC[5]HH)(PO3)2(H)	H(CC[5]CH)	108.7970	0.010	2	108.7970	0.000	2	108.7970	0.000	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]2)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	109.7705	0.014	4	109.7705	0.000	4	109.7705	0.000	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]2)(CCCH)(H)2	C(CC[5a]HH)(CH3)2(H)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CC[5a]HH)(CH3)2(H)	H(CC[5a]CH)	108.8358	0.281	18	108.8358	0.079	18	108.7182	0.079	38	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CH3)2(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CC[5a]HH)(CH3)2(H)	H(CC[5a]CH)	108.6942	0.189	16	108.6942	0.036	16	108.7182	0.079	38	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CCCH)(H)2	C(CC[5a]HH)(CH3)2(H)	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CCCH)(H)2	C(CC[5a]HH)(CH3)2(H)	H(CC[5a]CH)	108.2848	0.082	4	108.2848	0.007	4	108.7182	0.079	38	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CHHO)(NH3)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CC[5a]HH)(CHHO)(NH3)(H)	H(CC[5a]CH)	110.2675	0.784	2	110.2675	0.615	2	110.2675	0.615	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:S-4:S-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHSS)(H)2	C(CC[5a]HH)(SCOO)2(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CHSS)(H)2	C(CC[5a]HH)(SCOO)2(H)	H(CC[5a]CH)	109.5540	0.014	2	109.5540	0.000	2	109.5540	0.000	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C(C[5]O[5]2C)(CC[5a]HH)2(H)	H(CC[5a]CH)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C(C[5]O[5]2C)(CC[5a]HH)2(H)	H(CC[5a]CH)	107.8619	0.117	7	107.8619	0.014	7	107.8850	0.012	9	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	H(CC[5a]CH)	107.9660	0.010	2	107.9660	0.000	2	107.8850	0.012	9	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	H(CC[5a]CH)	108.0750	0.636	2	108.0750	0.405	2	108.0750	0.405	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]CH)	C(C[6]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]CH)	108.2320	0.037	2	108.2320	0.001	2	108.5384	0.051	14	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CC[6]CH)	108.4460	0.243	4	108.4460	0.059	4	108.5384	0.051	14	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	108.6448	0.188	4	108.6448	0.035	4	108.5384	0.051	14	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]N[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]N[5,6]C[6])(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	108.6778	0.098	4	108.6778	0.010	4	108.5384	0.051	14	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(C[6]C[6]2)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	H(CC[6]CH)	C(C[6]C[6]2)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	H(CC[6]CH)	111.4805	1.067	2	111.4805	1.139	2	111.4805	1.139	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:F-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(F)(H)	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	H(CC[6a]CF)	C(C[6a]C[6a]2)(CCHS)(F)(H)	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	H(CC[6a]CF)	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	108.3165	0.465	2	108.3165	0.216	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	108.7773	0.093	3	108.7773	0.009	3	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	109.0910	0.011	2	109.0910	0.000	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CC[6a]CH)	108.1505	0.040	2	108.1505	0.002	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	H(CC[6a]CH)	108.9105	0.405	8	108.9105	0.164	8	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]CH)	109.3470	0.051	2	109.3470	0.003	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)2(CC[6a]HH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)2(CC[6a]HH)(H)	H(CC[6a]CH)	107.8135	0.071	2	107.8135	0.005	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	H(CC[6a]CH)	108.7670	0.000	1	108.7670	0.000	1	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CC[6a]CH)	108.4702	0.749	18	108.4702	0.561	18	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC[6a]CH)	108.8424	0.311	8	108.8424	0.097	8	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	H(CC[6a]CH)	108.9920	0.000	1	108.9920	0.000	1	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCO)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCO)(CH3)(H)	H(CC[6a]CH)	108.3164	0.355	8	108.3164	0.126	8	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	H(CC[6a]CH)	108.9743	0.075	3	108.9743	0.006	3	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CC[6a]CH)	108.5225	0.047	2	108.5225	0.002	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	H(CC[6a]CH)	108.3070	0.072	2	108.3070	0.005	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CC[6a]CH)	108.3048	0.357	6	108.3048	0.127	6	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CC[6a]CH)	108.7649	0.233	11	108.7649	0.054	11	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	H(CC[6a]CH)	108.9335	0.087	2	108.9335	0.008	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CClHH)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CClHH)2(H)	H(CC[6a]CH)	108.9610	0.078	2	108.9610	0.006	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	108.5026	0.665	122	108.5026	0.442	122	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CH3)(H)	H(CC[6a]CH)	109.0193	0.040	3	109.0193	0.002	3	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CC[6a]CH)	107.5040	2.564	2	107.5040	6.574	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CHHO)2(H)	H(CC[6a]CH)	108.8305	0.032	2	108.8305	0.001	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	H(CC[6a]CH)	109.0118	0.302	4	109.0118	0.091	4	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CC[6a]HN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CC[6a]HN)(H)	H(CC[6a]CH)	108.6585	0.708	6	108.6585	0.501	6	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	108.7405	0.318	13	108.7405	0.101	13	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CC[6a]CH)	108.8282	0.428	4	108.8282	0.183	4	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	C(CC[6a]HH)(CH3)2(H)	H(CC[6a]CH)	108.4910	0.010	2	108.4910	0.000	2	108.5766	0.377	243	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NH3)(H)	H(CC[6a]CH)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NH3)(H)	H(CC[6a]CH)	108.7295	0.022	2	108.7295	0.000	2	109.1833	0.685	40	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(CC[6a]CH)	108.7338	0.094	4	108.7338	0.009	4	109.1833	0.685	40	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	H(CC[6a]CH)	108.9127	0.288	6	108.9127	0.083	6	109.1833	0.685	40	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CH3)(NH3)(H)	H(CC[6a]CH)	109.3273	1.017	24	109.3273	1.035	24	109.1833	0.685	40	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NC3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NC3)(H)	H(CC[6a]CH)	109.4657	0.174	3	109.4657	0.030	3	109.1833	0.685	40	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	H(CC[6a]CH)	109.2120	0.000	1	109.2120	0.000	1	109.1833	0.685	40	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(H)2	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHS)(H)2	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	H(CC[6a]CH)	108.7847	0.806	6	108.7847	0.650	6	108.7847	0.650	6	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	H(CC[6a]CH)	107.9698	1.834	16	107.9698	3.362	16	108.4040	3.811	21	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NIr2C)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NIr2C)(CHHO)(H)	H(CC[6a]CH)	107.7690	0.000	1	107.7690	0.000	1	108.4040	3.811	21	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NRhCH)(CHHO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NRhCH)(CHHO)(H)	H(CC[6a]CH)	108.8855	0.022	2	108.8855	0.000	2	108.4040	3.811	21	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NZnHH)(CHHN)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(NZnHH)(CHHN)(H)	H(CC[6a]CH)	111.7135	0.011	2	111.7135	0.000	2	108.4040	3.811	21	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHNP)(H)2	C(CC[6a]HH)(NCCH)(PHOO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHNP)(H)2	C(CC[6a]HH)(NCCH)(PHOO)(H)	H(CC[6a]CH)	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(H)2	C(CC[6a]HH)(PSeOO)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHP)(H)2	C(CC[6a]HH)(PSeOO)(CH3)(H)	H(CC[6a]CH)	108.4225	0.043	2	108.4225	0.002	2	108.4225	0.002	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHPP)(H)2	C(CC[6a]HH)(PO3)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHPP)(H)2	C(CC[6a]HH)(PO3)2(H)	H(CC[6a]CH)	108.8250	0.017	2	108.8250	0.000	2	108.8250	0.000	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHSS)(H)2	C(CC[6a]HH)(SCOO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHSS)(H)2	C(CC[6a]HH)(SCOO)2(H)	H(CC[6a]CH)	108.9455	0.013	2	108.9455	0.000	2	108.4557	0.320	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHSS)(H)2	C(CC[6a]HH)(SC[6a]OO)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CHSS)(H)2	C(CC[6a]HH)(SC[6a]OO)2(H)	H(CC[6a]CH)	107.9660	0.011	2	107.9660	0.000	2	108.4557	0.320	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]CH)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[4]CH)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	H(CC[6a]CH)	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]O[5]2C)(CC[6a]HH)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]O[5]2C)(CC[6a]HH)2(H)	H(CC[6a]CH)	107.6306	0.595	7	107.6306	0.355	7	107.6306	0.355	7	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HS)(H)2	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]HS)(H)2	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	H(CC[6a]CH)	108.7585	0.046	2	108.7585	0.002	2	108.7585	0.002	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]O[6]2C)(CC[6a]HH)2(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]O[6]2C)(CC[6a]HH)2(H)	H(CC[6a]CH)	107.6568	0.488	15	107.6568	0.238	15	107.6568	0.238	15	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	H(CC[6a]CH)	109.3685	0.077	2	109.3685	0.006	2	109.3155	0.012	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	H(CC[6a]CH)	109.2625	0.141	2	109.2625	0.020	2	109.3155	0.012	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CSiCH)(H)2	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CSiCH)(H)2	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	H(CC[6a]CH)	108.3530	0.016	2	108.3530	0.000	2	108.3530	0.000	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(NC[6a]2)(CCCF)(H)2	C(CHHN)(CH3)2(F)	H(CCHN)	C(NC[6a]2)(CCCF)(H)2	C(CHHN)(CH3)2(F)	H(CCHN)	108.5173	0.033	4	108.5173	0.001	4	108.5173	0.001	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[5]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NC[5]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.5220	0.091	3	109.5220	0.008	3	109.0530	0.210	33	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NC[6]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.2665	0.156	4	109.2665	0.024	4	109.0530	0.210	33	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]2)(CCCH)(H)2	C(CHHN)2(CH3)(H)	H(CCHN)	C(NC[6a]2)(CCCH)(H)2	C(CHHN)2(CH3)(H)	H(CCHN)	109.4321	0.083	7	109.4321	0.007	7	109.0530	0.210	33	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]C)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCHN)	C(NC[6a]C)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCHN)	108.2395	0.009	2	108.2395	0.000	2	109.0530	0.210	33	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]C)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NC[6a]C)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.6747	0.119	7	108.6747	0.014	7	109.0530	0.210	33	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]H)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCHN)	C(NC[6a]H)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCHN)	109.0580	0.359	4	109.0580	0.129	4	109.0530	0.210	33	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NC[6a]H)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.9430	0.613	6	108.9430	0.375	6	109.0530	0.210	33	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	C-4:P-4:P-4:H-1:	C-4:	C(NC[6]H)(CHPP)(H)2	C(CHHN)(PO3)2(H)	H(CCHN)	C(NC[6]H)(CHPP)(H)2	C(CHHN)(PO3)2(H)	H(CCHN)	109.2230	0.049	2	109.2230	0.002	2	109.2230	0.002	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NC[5]Co)(CCHN)(H)2	C(NCoCC)(CHHN)(CH3)(H)	H(CCHN)	C(NC[5]Co)(CCHN)(H)2	C(NCoCC)(CHHN)(CH3)(H)	H(CCHN)	108.8355	0.046	2	108.8355	0.002	2	109.0270	0.051	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N-3:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NC[5]Ni)(CCHN)(H)2	C(NNiHH)(CHHN)(CH3)(H)	H(CCHN)	C(NC[5]Ni)(CCHN)(H)2	C(NNiHH)(CHHN)(CH3)(H)	H(CCHN)	109.2185	0.056	2	109.2185	0.003	2	109.0270	0.051	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CN[5]CH)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CN[5]CH)	108.9440	0.024	2	108.9440	0.001	2	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5,6a]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	C(N[5]C[5,6a]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	108.9760	0.025	2	108.9760	0.001	2	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CN[5]CH)	108.4870	0.013	2	108.4870	0.000	2	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	108.9762	0.205	12	108.9762	0.042	12	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	H(CN[5]CH)	108.8598	0.435	12	108.8598	0.189	12	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CN[5]CH)	108.6599	0.177	9	108.6599	0.031	9	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	108.9482	0.546	25	108.9482	0.298	25	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]N[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	109.1596	0.259	16	109.1596	0.067	16	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	108.4188	0.204	15	108.4188	0.041	15	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	108.6093	0.358	217	108.6093	0.128	217	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CN[5]HH)(CH3)2(H)	H(CN[5]CH)	108.6175	0.140	6	108.6175	0.020	6	108.6832	0.154	318	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C(CN[5]HH)(NCCH)(CH3)(H)	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C(CN[5]HH)(NCCH)(CH3)(H)	H(CN[5]CH)	109.0600	0.113	2	109.0600	0.013	2	109.0600	0.013	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	H(CN[5]CH)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	H(CN[5]CH)	108.4462	0.225	4	108.4462	0.050	4	108.4462	0.050	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	108.8210	0.008	2	108.8210	0.000	2	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	107.9010	0.294	2	107.9010	0.087	2	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	108.9819	0.630	14	108.9819	0.397	14	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	H(CN[5a]CH)	109.2550	0.010	2	109.2550	0.000	2	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CCHH)(CH3)(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CCHH)(CH3)(H)	H(CN[5a]CH)	108.7420	0.086	8	108.7420	0.007	8	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CCHH)2(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CCHH)2(H)	H(CN[5a]CH)	108.7315	0.012	2	108.7315	0.000	2	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	108.9145	0.035	2	108.9145	0.001	2	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	109.3939	0.606	8	109.3939	0.367	8	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(CN[5a]HH)3(H)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(CN[5a]HH)3(H)	H(CN[5a]CH)	109.0345	0.242	11	109.0345	0.059	11	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C(CN[5a]HH)(CH3)2(H)	H(CN[5a]CH)	108.4382	0.354	25	108.4382	0.125	25	108.7949	0.276	76	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	H(CN[6]CH)	109.3288	0.295	6	109.3288	0.087	6	109.0419	0.141	18	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	H(CN[6]CH)	109.1958	0.234	4	109.1958	0.055	4	109.0419	0.141	18	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	H(CN[6]CH)	108.7499	0.274	8	108.7499	0.075	8	109.0419	0.141	18	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NH3)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NH3)(H)	H(CN[6]CH)	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	H(CN[6]CH)	109.7459	0.403	22	109.7459	0.163	22	109.7459	0.163	22	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:S-4:C-4:H-1:	C-4:	C(N[6]C[6]2)(CC[6]HS)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HS)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	H(CN[6]CH)	108.7700	0.000	1	108.7700	0.000	1	108.7700	0.000	1	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[6a]C[6a]2)(CCCH)(H)2	C(CN[6a]HH)(CCHH)2(H)	H(CN[6a]CH)	C(N[6a]C[6a]2)(CCCH)(H)2	C(CN[6a]HH)(CCHH)2(H)	H(CN[6a]CH)	108.5505	0.035	2	108.5505	0.001	2	108.5505	0.001	2	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[5]C)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(PC[5]C)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	108.5196	0.322	8	108.5196	0.103	8	108.5196	0.103	8	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SC[6a]O)(CCCH)(H)2	C(CHHS)(CH3)2(H)	H(CCHS)	C(SC[6a]O)(CCCH)(H)2	C(CHHS)(CH3)2(H)	H(CCHS)	109.0323	0.080	4	109.0323	0.006	4	109.0323	0.006	4	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SeC[5]Cu)(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	H(CSeCH)	C(SeC[5]Cu)(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	H(CSeCH)	107.4201	0.170	8	107.4201	0.029	8	107.4994	0.051	10	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:1:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SeFe2)(CCCH)(H)2	C(CSeHH)2(CH3)(H)	H(CSeCH)	C(SeFe2)(CCCH)(H)2	C(CSeHH)2(CH3)(H)	H(CSeCH)	107.8165	0.073	2	107.8165	0.005	2	107.4994	0.051	10	108.6939	0.470	1075	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[5]O)(CCCO)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	C(CC[5]O)(CCCO)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	107.3425	0.022	2	107.3425	0.000	2	108.3131	0.174	16	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]N)(CCCO)(H)2	C(CCHH)(CF3)2(OAl)	H(CCCH)	C(CC[6a]N)(CCCO)(H)2	C(CCHH)(CF3)2(OAl)	H(CCCH)	108.4239	0.241	8	108.4239	0.058	8	108.3131	0.174	16	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]N)(CCCO)(H)2	C(CCHH)(CF3)2(OZn)	H(CCCH)	C(CC[6a]N)(CCCO)(H)2	C(CCHH)(CF3)2(OZn)	H(CCCH)	108.4890	0.078	6	108.4890	0.006	6	108.3131	0.174	16	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:P-4:O-2:	C-4:	C(CC[6a]O)(CCOP)(H)2	C(CCHH)(CH3)(PO3)(OH)	H(CCCH)	C(CC[6a]O)(CCOP)(H)2	C(CCHH)(CH3)(PO3)(OH)	H(CCCH)	110.1005	0.012	2	110.1005	0.000	2	110.1005	0.000	2	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	C(CC[5a]HH)(PO3)2(OH)	H(CC[5a]CH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	C(CC[5a]HH)(PO3)2(OH)	H(CC[5a]CH)	108.1955	0.022	2	108.1955	0.000	2	108.1955	0.000	2	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CC[6]HH)(CF3)(CH3)(OH)	H(CC[6]CH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CC[6]HH)(CF3)(CH3)(OH)	H(CC[6]CH)	109.3990	0.014	2	109.3990	0.000	2	108.2656	0.555	8	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(OP)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(OP)	H(CC[6]CH)	107.5275	0.050	2	107.5275	0.003	2	108.2656	0.555	8	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(ORu)	H(CC[6]CH)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)(CH3)2(ORu)	H(CC[6]CH)	108.0680	0.150	4	108.0680	0.022	4	108.2656	0.555	8	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(C[6]C[6]2)(COPP)(H)2	C(CC[6]HH)(PO3)2(OH)	H(CC[6]CH)	C(C[6]C[6]2)(COPP)(H)2	C(CC[6]HH)(PO3)2(OH)	H(CC[6]CH)	108.2562	0.470	4	108.2562	0.220	4	108.2562	0.220	4	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	H(CC[6a]CH)	108.6550	0.010	2	108.6550	0.000	2	108.4697	0.025	7	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCCH)(CH3)(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCCH)(CH3)(OH)	H(CC[6a]CH)	108.3956	0.113	5	108.3956	0.013	5	108.4697	0.025	7	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[3x6]-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	H(CC[6a]CH)	108.3457	0.167	7	108.3457	0.028	7	108.3457	0.028	7	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[5]CO)(H)2	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]CO)(H)2	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	H(CC[6a]CH)	108.2833	0.179	4	108.2833	0.032	4	108.2833	0.032	4	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NC[6a]C)(CCCO)(H)2	C(CHHN)(CH3)2(OGe)	H(CCHN)	C(NC[6a]C)(CCCO)(H)2	C(CHHN)(CH3)2(OGe)	H(CCHN)	109.6208	0.114	12	109.6208	0.013	12	109.6208	0.013	12	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NC[6]Cu)(CCCS)(H)2	C(CHHN)(CH3)2(SCu)	H(CCHN)	C(NC[6]Cu)(CCCS)(H)2	C(CHHN)(CH3)2(SCu)	H(CCHN)	108.3590	0.057	2	108.3590	0.003	2	108.0046	9.030	8	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)2(SS)	H(CCHN)	C(NC[6]H)(CCCS)(H)2	C(CHHN)(CH3)2(SS)	H(CCHN)	107.8865	3.546	6	107.8865	12.574	6	108.0046	9.030	8	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OAl)	H(CN[5]CH)	108.5212	0.580	9	108.5212	0.336	9	108.5780	0.375	31	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OH)	H(CN[5]CH)	108.4529	0.768	12	108.4529	0.590	12	108.5780	0.375	31	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OPd)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OPd)	H(CN[5]CH)	109.3300	0.049	2	109.3300	0.002	2	108.5780	0.375	31	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(ORh)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(ORh)	H(CN[5]CH)	109.1165	0.224	2	109.1165	0.050	2	108.5780	0.375	31	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OZn)	H(CN[5]CH)	C(N[5]C[5]2)(CCCO)(H)2	C(CN[5]HH)(CH3)2(OZn)	H(CN[5]CH)	108.4940	0.054	2	108.4940	0.003	2	108.5780	0.375	31	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5]C[5]N[5])(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	H(CN[5]CH)	C(N[5]C[5]N[5])(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	H(CN[5]CH)	108.4780	0.115	4	108.4780	0.013	4	108.5780	0.375	31	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(N[5]C[5]2)(CCCS)(H)2	C(CN[5]HH)(CH3)2(SS)	H(CN[5]CH)	C(N[5]C[5]2)(CCCS)(H)2	C(CN[5]HH)(CH3)2(SS)	H(CN[5]CH)	108.0375	0.611	4	108.0375	0.374	4	108.0375	0.374	4	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(N[5]C[5]2)(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	H(CN[5]CH)	C(N[5]C[5]2)(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	H(CN[5]CH)	108.8559	0.212	12	108.8559	0.045	12	108.9114	0.058	14	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(N[5]C[5]N[5])(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	H(CN[5]CH)	C(N[5]C[5]N[5])(COPP)(H)2	C(CN[5]HH)(PO3)2(OH)	H(CN[5]CH)	109.2445	0.019	2	109.2445	0.000	2	108.9114	0.058	14	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]2)(CCCO)(H)2	C(CN[5a]HH)(CCHH)(CC3)(OH)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CCCO)(H)2	C(CN[5a]HH)(CCHH)(CC3)(OH)	H(CN[5a]CH)	108.6455	0.052	2	108.6455	0.003	2	108.6262	0.004	6	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5a]N[5a]2)(CCCO)(H)2	C(CN[5a]HH)(CH3)2(OH)	H(CN[5a]CH)	C(N[5a]N[5a]2)(CCCO)(H)2	C(CN[5a]HH)(CH3)2(OH)	H(CN[5a]CH)	108.6165	0.072	4	108.6165	0.005	4	108.6262	0.004	6	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(COPP)(H)2	C(CN[5a]HH)(PO3)2(OH)	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	C(CN[5a]HH)(PO3)2(OH)	H(CN[5a]CH)	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[6]C[6]2)(CCCO)(H)2	C(CN[6]HH)(CH3)2(OH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCO)(H)2	C(CN[6]HH)(CH3)2(OH)	H(CN[6]CH)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	N[6]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(N[6]C[6]2)(COPP)(H)2	C(CN[6]HH)(PO3)2(OH)	H(CN[6]CH)	C(N[6]C[6]2)(COPP)(H)2	C(CN[6]HH)(PO3)2(OH)	H(CN[6]CH)	109.3215	0.046	2	109.3215	0.002	2	109.3215	0.002	2	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(PC[6a]2)(CCCO)(H)2	C(CHHP)(CH3)2(OZr)	H(CCHP)	C(PC[6a]2)(CCCO)(H)2	C(CHHP)(CH3)2(OZr)	H(CCHP)	108.2145	0.022	2	108.2145	0.000	2	108.2145	0.000	2	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(SeC[6a]Sn)(CCCO)(H)2	C(CSeHH)(CF3)2(OSn)	H(CSeCH)	C(SeC[6a]Sn)(CCCO)(H)2	C(CSeHH)(CF3)2(OSn)	H(CSeCH)	109.2370	0.354	4	109.2370	0.125	4	109.3095	0.088	6	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:2:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(SeC[6a]Zn)(CCCO)(H)2	C(CSeHH)(CF3)2(OZn)	H(CSeCH)	C(SeC[6a]Zn)(CCCO)(H)2	C(CSeHH)(CF3)2(OZn)	H(CSeCH)	109.4545	0.026	2	109.4545	0.001	2	109.3095	0.088	6	108.6277	0.848	137	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[5a]O)(CC3)(H)2	C(CCHH)(CH3)2(CHO)	H(CCCH)	C(CC[5a]O)(CC3)(H)2	C(CCHH)(CH3)2(CHO)	H(CCCH)	108.8003	0.122	3	108.8003	0.015	3	108.5358	1.456	5	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[6a]O)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCC)	H(CCCH)	C(CC[6a]O)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCC)	H(CCCH)	108.1390	2.295	2	108.1390	5.268	2	108.5358	1.456	5	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CC[5]C)(CCCN)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	C(CC[5]C)(CCCN)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	108.5073	0.028	3	108.5073	0.001	3	108.5073	0.001	3	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C(CC[5a]HH)(CH3)2(NOO)	H(CC[5a]CH)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C(CC[5a]HH)(CH3)2(NOO)	H(CC[5a]CH)	108.3300	0.041	2	108.3300	0.002	2	108.3300	0.002	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[6]C[6]2)(CCCN)(H)2	C(CC[6]HH)(CH3)2(NOO)	H(CC[6]CH)	C(C[6]C[6]2)(CCCN)(H)2	C(CC[6]HH)(CH3)2(NOO)	H(CC[6]CH)	108.1320	0.007	2	108.1320	0.000	2	108.1320	0.000	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[6]-3:C-4:H-1:O-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6]C[6]2)(CC3)(H)(O)	C(CC[6]HO)(CCHH)2(CCS)	H(CC[6]CO)	C(C[6]C[6]2)(CC3)(H)(O)	C(CC[6]HO)(CCHH)2(CCS)	H(CC[6]CO)	100.7380	0.000	2	100.7380	0.000	2	100.7380	0.000	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)2(CCO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)2(CCO)	H(CC[6a]CH)	107.9630	0.061	2	107.9630	0.004	2	108.5481	0.064	40	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)2(COO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)2(COO)	H(CC[6a]CH)	108.5989	0.207	36	108.5989	0.043	36	108.5481	0.064	40	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CHHS)(CH3)(CNO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CHHS)(CH3)(CNO)	H(CC[6a]CH)	108.2185	0.005	2	108.2185	0.000	2	108.5481	0.064	40	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)2(NCH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)2(NCH)	H(CC[6a]CH)	108.5010	0.225	12	108.5010	0.050	12	108.5010	0.050	12	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)(NH3)(COO)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)(NH3)(COO)	H(CC[6a]CH)	108.5525	0.043	2	108.5525	0.002	2	108.5525	0.002	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(N[5]C[5]2)(CC3)(H)2	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	H(CN[5]CH)	C(N[5]C[5]2)(CC3)(H)2	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	H(CN[5]CH)	106.8655	1.948	2	106.8655	3.795	2	106.8655	3.795	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)2(CNO)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)2(CNO)	H(CN[5a]CH)	108.2070	0.023	2	108.2070	0.001	2	108.2070	0.001	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)2(COO)	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)2(COO)	H(CN[6]CH)	108.2305	0.025	2	108.2305	0.001	2	108.2305	0.001	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(PC[6a]2)(CC3)(H)2	C(CC[6a]HN)(CHHP)(CH3)(CCH)	H(CCHP)	C(PC[6a]2)(CC3)(H)2	C(CC[6a]HN)(CHHP)(CH3)(CCH)	H(CCHP)	108.1975	0.011	2	108.1975	0.000	2	108.1975	0.000	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:3:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(SCoC)(CC3)(H)2	C(CHHN)(CHHS)(CH3)(CHN)	H(CCHS)	C(SCoC)(CC3)(H)2	C(CHHN)(CHHS)(CH3)(CHN)	H(CCHS)	109.2255	0.070	2	109.2255	0.005	2	109.2255	0.005	2	108.2704	1.771	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CAlC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CAlC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.5380	0.025	2	108.5380	0.001	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[3,5]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CC[3,5]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	107.8955	0.408	2	107.8955	0.166	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[3]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CC[3]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	108.2925	0.672	2	108.2925	0.452	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CC[5]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	106.5515	0.356	2	106.5515	0.127	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5]O)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CCCH)	C(CC[5]O)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CCCH)	108.0950	0.081	2	108.0950	0.006	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]O)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[5a]O)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.4507	0.178	7	108.4507	0.032	7	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CC[5a]O)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	107.9616	0.664	5	107.9616	0.441	5	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]O)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	H(CCCH)	C(CC[6]O)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	H(CCCH)	106.0680	1.130	2	106.0680	1.277	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]O)(CC3)(H)2	C(CCHH)3(CH3)	H(CCCH)	C(CC[6]O)(CC3)(H)2	C(CCHH)3(CH3)	H(CCCH)	109.3590	0.011	2	109.3590	0.000	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]N)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[6a]N)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.1948	0.119	6	108.1948	0.014	6	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]O)(CC3)(H)2	C(CCCH)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]O)(CC3)(H)2	C(CCCH)(CCHH)(CH3)2	H(CCCH)	107.4140	0.028	2	107.4140	0.001	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]O)(CC3)(H)2	C(CCHH)(CCHN)(CF3)(CH3)	H(CCCH)	C(CC[6a]O)(CC3)(H)2	C(CCHH)(CCHN)(CF3)(CH3)	H(CCCH)	107.8170	0.014	2	107.8170	0.000	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CFeO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CFeO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.8095	0.415	2	108.8095	0.172	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CIrN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CIrN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.1995	0.280	4	108.1995	0.078	4	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CNiO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CNiO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.3815	0.046	2	108.3815	0.002	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CRuH)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCCH)	C(CRuH)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCCH)	109.5140	0.000	1	109.5140	0.000	1	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CTiN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CTiN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.0300	0.016	2	108.0300	0.000	2	108.1053	0.577	47	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CC[5]CH)	C(C[5]C[5]2)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CC[5]CH)	107.2520	0.088	2	107.2520	0.008	2	107.5582	0.330	34	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5])(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	C(C[5]C[5]N[5])(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	107.5773	0.587	32	107.5773	0.344	32	107.5582	0.330	34	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[5]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(C[5]N[5]2)(CC[5]CC)(H)2	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	H(CC[5]CH)	C(C[5]N[5]2)(CC[5]CC)(H)2	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	H(CC[5]CH)	109.3150	0.017	2	109.3150	0.000	2	109.3150	0.000	2	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)(CH3)3	H(CC[5a]CH)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)(CH3)3	H(CC[5a]CH)	107.8730	0.521	8	107.8730	0.271	8	108.0286	0.318	10	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5a]N[5a]S[5a])(CC3)(H)2	C(CC[5a]HH)(CC[5]HH)(CH3)2	H(CC[5a]CH)	C(C[5a]N[5a]S[5a])(CC3)(H)2	C(CC[5a]HH)(CC[5]HH)(CH3)2	H(CC[5a]CH)	108.6510	0.007	2	108.6510	0.000	2	108.0286	0.318	10	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6,6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C(CC[6,6]HH)(CH3)3	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C(CC[6,6]HH)(CH3)3	H(CC[6,6]CH)	107.9752	0.026	5	107.9752	0.001	5	107.9752	0.001	5	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CC[6]CH)	C(C[6]C[6]2)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CC[6]CH)	107.2760	0.008	2	107.2760	0.000	2	107.8293	0.409	4	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(CC3)(H)2	C(CC[6]HH)(CH3)3	H(CC[6]CH)	C(C[6]C[6]N[6])(CC3)(H)2	C(CC[6]HH)(CH3)3	H(CC[6]CH)	108.3825	0.052	2	108.3825	0.003	2	107.8293	0.409	4	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	H(CC[6a]CH)	107.1870	0.119	2	107.1870	0.014	2	107.8975	0.154	20	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CH3)2	H(CC[6a]CH)	108.7475	0.018	2	108.7475	0.000	2	107.8975	0.154	20	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CC[6a]CH)	108.0040	0.010	2	108.0040	0.000	2	107.8975	0.154	20	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)3	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CH3)3	H(CC[6a]CH)	107.8443	0.187	12	107.8443	0.035	12	107.8975	0.154	20	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CHHP)3	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CHHP)3	H(CC[6a]CH)	107.9710	0.028	2	107.9710	0.001	2	107.8975	0.154	20	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)2(NH3)	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CH3)2(NH3)	H(CC[6a]CH)	108.3960	0.476	8	108.3960	0.226	8	108.3960	0.226	8	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:P-4:P-4:	C-4:	C(C[6a]C[6a]2)(CCPP)(H)2	C(CC[6a]HH)2(PO3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCPP)(H)2	C(CC[6a]HH)2(PO3)2	H(CC[6a]CH)	107.6871	0.417	10	107.6871	0.174	10	107.6871	0.174	10	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(CC[6a]CH)	108.6787	0.223	7	108.6787	0.050	7	107.9653	0.412	29	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(NPdHH)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(NPdHH)(CH3)2	H(CC[6a]CH)	107.7383	0.558	22	107.7383	0.311	22	107.9653	0.412	29	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:	C(C[6a]C[6a]2)(CNPP)(H)2	C(CC[6a]HH)(NNiHH)(PO3)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CNPP)(H)2	C(CC[6a]HH)(NNiHH)(PO3)2	H(CC[6a]CH)	107.0850	0.037	2	107.0850	0.001	2	107.0850	0.001	2	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	H(CC[6a]CH)	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	H(CC[6a]CH)	108.3235	0.026	2	108.3235	0.001	2	108.3235	0.001	2	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:S-4:S-4:	C-4:	C(C[6a]C[6a]2)(CC[5]SS)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CC[5]SS)(H)2	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	H(CC[6a]CH)	107.8515	0.164	8	107.8515	0.027	8	107.8515	0.027	8	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	Ga-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(GaCC)(CC3)(H)2	C(CGaHH)(CH3)3	H(CGaCH)	C(GaCC)(CC3)(H)2	C(CGaHH)(CH3)3	H(CGaCH)	107.1434	0.431	8	107.1434	0.186	8	107.1434	0.186	8	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NAlC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NAlC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.9899	0.397	41	108.9899	0.157	41	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[3]C[5])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[3]C[5])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.3465	0.107	4	108.3465	0.011	4	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[5]B)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[5]B)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	107.2990	0.000	1	107.2990	0.000	1	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[5]C)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.2128	0.376	32	108.2128	0.142	32	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[5]H)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[5]H)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	109.0210	0.037	2	109.0210	0.001	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[5]P)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[5]P)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.2543	0.068	6	108.2543	0.005	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6]Cr)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6]Cr)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.7567	0.144	3	108.7567	0.021	3	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6]H)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.7434	0.795	33	108.7434	0.631	33	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6]Pd)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6]Pd)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.5423	0.169	6	108.5423	0.029	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Al)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]Al)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.3630	0.000	1	108.3630	0.000	1	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]H)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	109.7056	2.763	16	109.7056	7.633	16	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]H)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NC[6a]H)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	109.3775	0.018	2	109.3775	0.000	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Nb)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]Nb)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.3392	0.309	12	108.3392	0.095	12	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Pd)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]Pd)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.6652	0.292	6	108.6652	0.085	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Sn)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]Sn)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.2612	0.042	4	108.2612	0.002	4	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Zn)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]Zn)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.2170	0.079	2	108.2170	0.006	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCdC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCdC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.6514	0.176	8	108.6514	0.031	8	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCoC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	109.4331	0.433	7	109.4331	0.188	7	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoC)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	H(CCHN)	C(NCoC)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	H(CCHN)	108.1420	0.037	2	108.1420	0.001	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NCoC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	109.3555	0.079	6	109.3555	0.006	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCuC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCuC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.8367	1.112	47	108.8367	1.237	47	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCuC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NCuC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.5818	0.139	6	108.5818	0.019	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NFeC)(CC3)(H)2	C(CCHH)(CHHN)3	H(CCHN)	C(NFeC)(CC3)(H)2	C(CCHH)(CHHN)3	H(CCHN)	110.1525	0.904	6	110.1525	0.817	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NFeC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NFeC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.6259	0.362	28	108.6259	0.131	28	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NFeC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NFeC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	109.8778	0.103	24	109.8778	0.011	24	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NHfC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NHfC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.9753	0.016	3	108.9753	0.000	3	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NMgC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NMgC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.7800	0.139	2	108.7800	0.019	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NMnC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NMnC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.7829	0.170	16	108.7829	0.029	16	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NMnC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NMnC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	109.2263	0.256	26	109.2263	0.065	26	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NMoC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NMoC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.8888	0.489	18	108.8888	0.239	18	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NMoO)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NMoO)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.9805	0.021	2	108.9805	0.000	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNb[3x3]C[6a])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NNb[3x3]C[6a])(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	107.8470	0.346	6	107.8470	0.120	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNiC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NNiC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.8889	0.607	54	108.8889	0.368	54	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNiC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NNiC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	109.5118	0.067	6	109.5118	0.005	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NPdC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NPdC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.6425	0.263	6	108.6425	0.069	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NPtC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NPtC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.5155	0.049	2	108.5155	0.002	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NReC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NReC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.5636	0.644	8	108.5636	0.415	8	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NRuC)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCHN)	C(NRuC)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCHN)	108.1825	0.013	2	108.1825	0.000	2	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NZnC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NZnC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.7316	0.233	31	108.7316	0.054	31	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NZnC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NZnC)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	109.3253	0.142	6	109.3253	0.020	6	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NZrC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NZrC)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.9258	0.261	11	108.9258	0.068	11	108.8675	0.681	504	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[4]Ga[4]2)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	H(CN[4]CH)	C(N[4]Ga[4]2)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	H(CN[4]CH)	108.2940	0.011	2	108.2940	0.000	2	108.2940	0.000	2	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]B[5]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	C(N[5]B[5]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	107.7265	0.005	2	107.7265	0.000	2	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	107.8725	0.620	4	107.8725	0.384	4	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	108.4575	0.177	30	108.4575	0.031	30	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)2(CBrHH)2	H(CN[5]CH)	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)2(CBrHH)2	H(CN[5]CH)	107.8932	0.147	6	107.8932	0.022	6	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	108.1969	0.182	25	108.1969	0.033	25	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	108.3045	0.035	4	108.3045	0.001	4	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	107.7980	0.146	31	107.7980	0.021	31	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C(CN[5]HH)(CH3)3	H(CN[5]CH)	108.2417	0.046	4	108.2417	0.002	4	108.1214	0.109	106	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	108.2023	0.202	4	108.2023	0.041	4	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CN[5a]HH)3(CBrHH)	H(CN[5a]CH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CN[5a]HH)3(CBrHH)	H(CN[5a]CH)	108.4635	0.273	6	108.4635	0.074	6	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	108.2082	0.034	4	108.2082	0.001	4	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CN[5a]HH)2(CH3)2	H(CN[5a]CH)	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CN[5a]HH)2(CH3)2	H(CN[5a]CH)	108.1390	0.013	2	108.1390	0.000	2	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	108.0829	0.247	21	108.0829	0.061	21	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a]2)(CC3)(H)2	C(CN[5a]HH)3(CH3)	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC3)(H)2	C(CN[5a]HH)3(CH3)	H(CN[5a]CH)	108.4590	0.126	6	108.4590	0.016	6	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a]2)(CC3)(H)2	C(CN[5a]HH)4	H(CN[5a]CH)	C(N[5a]C[5a]2)(CC3)(H)2	C(CN[5a]HH)4	H(CN[5a]CH)	108.2135	0.311	6	108.2135	0.097	6	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CN[5a]HH)(CCHH)(CH3)2	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CN[5a]HH)(CCHH)(CH3)2	H(CN[5a]CH)	108.7880	0.060	3	108.7880	0.004	3	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CN[5a]HH)4	H(CN[5a]CH)	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CN[5a]HH)4	H(CN[5a]CH)	108.5020	0.018	2	108.5020	0.000	2	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	C(CN[5a]HH)(CH3)3	H(CN[5a]CH)	108.0785	0.196	11	108.0785	0.038	11	108.2263	0.080	65	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6]C[6,6a]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	108.6891	1.042	8	108.6891	1.086	8	108.4312	0.324	31	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	108.4530	0.181	4	108.4530	0.033	4	108.4312	0.324	31	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	107.9560	0.034	2	107.9560	0.001	2	108.4312	0.324	31	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CBrHH)3	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CBrHH)3	H(CN[6]CH)	108.3520	0.037	2	108.3520	0.001	2	108.4312	0.324	31	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	H(CN[6]CH)	108.1668	0.219	6	108.1668	0.048	6	108.4312	0.324	31	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)2(CHHO)2	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)2(CHHO)2	H(CN[6]CH)	108.5680	0.013	2	108.5680	0.000	2	108.4312	0.324	31	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)4	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)4	H(CN[6]CH)	108.4699	0.232	7	108.4699	0.054	7	108.4312	0.324	31	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C(CN[6a]HH)(CH3)3	H(CN[6a]CH)	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C(CN[6a]HH)(CH3)3	H(CN[6a]CH)	108.3485	0.059	2	108.3485	0.003	2	108.3485	0.003	2	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OAl2)(CC3)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHO)	C(OAl2)(CC3)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHO)	108.6940	0.014	2	108.6940	0.000	2	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OCoH)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHO)	C(OCoH)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHO)	109.3375	0.155	2	109.3375	0.024	2	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OCr2)(CC3)(H)2	C(CCHH)(CHHO)3	H(CCHO)	C(OCr2)(CC3)(H)2	C(CCHH)(CHHO)3	H(CCHO)	108.8940	0.308	3	108.8940	0.095	3	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OFe2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OFe2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.7172	0.225	9	108.7172	0.051	9	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OMo2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OMo2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.8573	0.038	4	108.8573	0.001	4	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OSn2)(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(OSn2)(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	108.5083	0.052	4	108.5083	0.003	4	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OSn2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OSn2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.6528	0.184	57	108.6528	0.034	57	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OZn2)(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(OZn2)(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	108.8422	0.099	6	108.8422	0.010	6	108.7003	0.047	87	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(OCrMo)(CCCN)(H)2	C(CHHO)3(NH3)	H(CCHO)	C(OCrMo)(CCCN)(H)2	C(CHHO)3(NH3)	H(CCHO)	108.4815	0.149	4	108.4815	0.022	4	108.4815	0.022	4	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	108.3129	0.367	8	108.3129	0.135	8	108.3129	0.135	8	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SC[6a]Fe)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	C(SC[6a]Fe)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	109.7210	3.090	2	109.7210	9.548	2	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SC[6a]Mo)(CC3)(H)2	C(CHHP)(CHHS)2(CH3)	H(CCHS)	C(SC[6a]Mo)(CC3)(H)2	C(CHHP)(CHHS)2(CH3)	H(CCHS)	107.5020	0.211	4	107.5020	0.045	4	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SC[6a]Mo)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHS)	C(SC[6a]Mo)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHS)	107.6115	0.032	2	107.6115	0.001	2	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SCoC)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHS)	C(SCoC)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHS)	109.1555	0.121	2	109.1555	0.015	2	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SCoC)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	H(CCHS)	C(SCoC)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	H(CCHS)	108.8836	0.785	18	108.8836	0.616	18	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SCoC)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	C(SCoC)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	107.8260	0.061	5	107.8260	0.004	5	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFe2)(CC3)(H)2	C(CCCH)2(CHHS)2	H(CCHS)	C(SFe2)(CC3)(H)2	C(CCCH)2(CHHS)2	H(CCHS)	107.0600	0.175	7	107.0600	0.031	7	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFe2)(CC3)(H)2	C(CCHH)2(CHHS)2	H(CCHS)	C(SFe2)(CC3)(H)2	C(CCHH)2(CHHS)2	H(CCHS)	107.1270	0.057	4	107.1270	0.003	4	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFe2)(CC3)(H)2	C(CHHN)(CHHS)2(CH3)	H(CCHS)	C(SFe2)(CC3)(H)2	C(CHHN)(CHHS)2(CH3)	H(CCHS)	107.0272	0.133	4	107.0272	0.018	4	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFe2)(CC3)(H)2	C(CHHO)(CHHS)2(CH3)	H(CCHS)	C(SFe2)(CC3)(H)2	C(CHHO)(CHHS)2(CH3)	H(CCHS)	107.6532	0.498	4	107.6532	0.248	4	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFe2)(CC3)(H)2	C(CHHS)2(CH3)2	H(CCHS)	C(SFe2)(CC3)(H)2	C(CHHS)2(CH3)2	H(CCHS)	107.3113	0.321	7	107.3113	0.103	7	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFe2)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	C(SFe2)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	107.7259	0.982	38	107.7259	0.964	38	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFe2)(CC3)(H)2	C(CHHS)4	H(CCHS)	C(SFe2)(CC3)(H)2	C(CHHS)4	H(CCHS)	107.5389	1.237	12	107.5389	1.530	12	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFeC)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	C(SFeC)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	107.2077	0.071	6	107.2077	0.005	6	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SFeNi)(CC3)(H)2	C(CHHS)2(CH3)2	H(CCHS)	C(SFeNi)(CC3)(H)2	C(CHHS)2(CH3)2	H(CCHS)	107.4948	0.244	4	107.4948	0.059	4	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SNi2)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	C(SNi2)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	107.4100	0.194	3	107.4100	0.038	3	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SNiC)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	C(SNiC)(CC3)(H)2	C(CHHS)3(CH3)	H(CCHS)	109.0210	0.010	2	109.0210	0.000	2	107.8016	1.008	124	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SeFe2)(CC3)(H)2	C(CSeHH)2(CH3)2	H(CSeCH)	C(SeFe2)(CC3)(H)2	C(CSeHH)2(CH3)2	H(CSeCH)	106.8853	0.090	6	106.8853	0.008	6	106.8416	4.983	23	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:4:4:4:	4:	Se-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SeRuC)(CC3)(H)2	C(CSeHH)3(CH3)	H(CSeCH)	C(SeRuC)(CC3)(H)2	C(CSeHH)3(CH3)	H(CSeCH)	106.8261	2.617	17	106.8261	6.848	17	106.8416	4.983	23	108.4134	0.843	1145	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	4:5:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:B-5:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBHH)(H)2	C(CC[6a]HH)(BRu2CH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CBHH)(H)2	C(CC[6a]HH)(BRu2CH)(H)2	H(CC[6a]CH)	108.5626	0.445	8	108.5626	0.198	8	108.5626	0.198	8	108.5626	0.198	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	5:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	B[3]-5:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[3]HH)(H)2	C(B[3]B[3x3]C[3,3]Ru2)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[3]HH)(H)2	C(B[3]B[3x3]C[3,3]Ru2)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.4145	0.006	2	108.4145	0.000	2	108.4145	0.000	2	108.4145	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	5:4:4:1:	4:	O-3:C-4:H-1:H-1:	N-5:C-4:C-4:H-1:	C-4:	C(OLiSi)(CCHN)(H)2	C(NLi3C)(CCCH)(CHHO)(H)	H(CCHO)	C(OLiSi)(CCHN)(H)2	C(NLi3C)(CCCH)(CHHO)(H)	H(CCHO)	109.3962	0.034	4	109.3962	0.001	4	109.3962	0.001	4	109.3962	0.001	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:1:1:	6:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	B[3x3]-6:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	C(B[3x3]C[3,3]2B[3]2Ru)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	C(B[3x3]C[3,3]2B[3]2Ru)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0965	0.049	2	109.0965	0.002	2	109.0965	0.002	2	109.0965	0.002	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:N[6]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	H(CC[5a]CO)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	108.5300	0.963	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	H(CC[6a]CO)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	108.5300	0.963	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	H(CC[6a]CO)	108.7490	0.000	1	108.7490	0.000	1	108.3775	0.276	2	108.5300	0.963	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]2H)(OC)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(H)	H(CC[6a]CO)	108.0060	0.000	1	108.0060	0.000	1	108.3775	0.276	2	108.5300	0.963	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]2H)(OZn)(H)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	H(CC[6a]CO)	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	108.5300	0.963	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]2H)(OH)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]HO)(H)	H(CC[6a]CO)	109.2250	0.000	2	109.2250	0.000	2	109.2250	0.000	2	108.5300	0.963	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:2:	4:	C[6]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(OH)	H(CC[6]CO)	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	109.9087	5.848	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]2O)(OH)(H)	C(C[6a]C[6a]2)2(CC[6a]HO)(OH)	H(CC[6a]CO)	108.9420	1.779	3	108.9420	3.164	3	108.9420	3.164	3	109.9087	5.848	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:3:4:3:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C(C[6a]C[6a]2)2(CC[6a]HN)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C(C[6a]C[6a]2)2(CC[6a]HN)(COO)	H(CC[6a]CN)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C-3:C-4:C-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CN)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CN)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C-3:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	H(CCCO)	C(CC[6a]O)(CCHH)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	H(CCCO)	107.9243	0.098	3	107.9243	0.010	3	107.9243	0.010	3	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C-3:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(OC)(H)	C(NC[6a]C)(CCHO)(H)2	H(CCCO)	C(CC[6a]O)(CHHN)(OC)(H)	C(NC[6a]C)(CCHO)(H)2	H(CCCO)	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C-3:C-4:S-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(SC)(H)	C(CC[6a]O)(CCHS)(H)2	H(CCCS)	C(CC[6a]O)(CCHH)(SC)(H)	C(CC[6a]O)(CCHS)(H)2	H(CCCS)	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HH)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(H)2	H(CC[5]CO)	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(H)2	H(CC[5a]CO)	107.7815	0.506	2	107.7815	0.256	2	107.7815	0.256	2	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	107.3530	0.000	1	107.3530	0.000	1	108.9497	0.672	6	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	108.9290	0.000	1	108.9290	0.000	1	108.9497	0.672	6	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	109.2647	0.174	3	109.2647	0.030	3	108.9497	0.672	6	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[5a]HO)(H)2	H(CC[5a]CO)	109.6220	0.000	1	109.6220	0.000	1	108.9497	0.672	6	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	103.0370	0.000	1	103.0370	0.000	1	103.0370	0.000	1	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C(C[6]C[6]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C(C[6]C[6]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	108.7830	0.000	1	108.7830	0.000	1	108.7830	0.000	1	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	105.0130	3.741	2	105.0130	13.992	2	105.0130	13.992	2	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CC[6a]CN)	107.4610	1.253	2	107.4610	1.570	2	107.4610	1.570	2	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	109.4142	0.470	4	109.4142	0.221	4	108.9040	1.019	6	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	H(CC[6a]CN)	107.8835	1.143	2	107.8835	1.307	2	108.9040	1.019	6	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OC)(H)	C(C[5]C[5,6a]C[5])(CC[6a]HO)(H)2	H(CC[6a]CO)	108.2765	0.849	2	108.2765	0.721	2	108.4223	0.424	3	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.7140	0.000	1	108.7140	0.000	1	108.4223	0.424	3	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	109.1020	0.000	1	109.1020	0.000	1	108.9685	0.036	2	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5a]HH)(OH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	108.8350	0.000	1	108.8350	0.000	1	108.9685	0.036	2	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OC[6])(H)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	H(CC[6a]CO)	109.0815	0.237	2	109.0815	0.056	2	109.0815	0.056	2	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a,6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	107.2040	0.000	1	107.2040	0.000	1	108.6475	0.641	15	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.8250	0.000	1	108.8250	0.000	1	108.6475	0.641	15	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.4120	0.068	2	109.4120	0.005	2	108.6475	0.641	15	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.0355	0.210	2	109.0355	0.044	2	108.6475	0.641	15	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.5059	0.922	7	108.5059	0.851	7	108.6475	0.641	15	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(H)2	H(CC[6a]CO)	108.8370	0.000	1	108.8370	0.000	1	108.6475	0.641	15	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HH)(OH)(H)	C(C[6a]N[6a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.4110	0.000	1	108.4110	0.000	1	108.6475	0.641	15	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(NC[6a]C[6])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(NC[6a]C[6])(CC[6a]HO)(H)2	H(CC[6a]CO)	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.5762	0.814	5	109.5762	0.662	5	109.4857	0.465	7	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]HH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.2595	0.009	2	109.2595	0.000	2	109.4857	0.465	7	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	109.0360	0.521	7	109.0360	0.271	7	109.1287	0.370	28	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	108.8087	0.477	3	108.8087	0.227	3	109.1287	0.370	28	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.5460	0.420	10	109.5460	0.176	10	109.1287	0.370	28	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OC)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	109.1927	0.193	3	109.1927	0.037	3	109.1287	0.370	28	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	107.4260	0.000	1	107.4260	0.000	1	109.1287	0.370	28	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.9650	0.000	1	108.9650	0.000	1	109.1287	0.370	28	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(H)2	H(CC[6a]CO)	108.8327	0.686	3	108.8327	0.471	3	109.1287	0.370	28	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.3335	0.506	2	109.3335	0.256	2	109.3513	0.129	3	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.3870	0.000	1	109.3870	0.000	1	109.3513	0.129	3	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HH)(SC)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(H)2	H(CC[6a]CS)	107.9535	0.050	2	107.9535	0.003	2	107.9535	0.003	2	108.7247	1.456	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5,6]-3:C-4:O-2:H-1:	C[5,6]-3:C-4:O-2:H-1:	C-4:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	H(CC[5,6]CO)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]HO)(OH)(H)	H(CC[5,6]CO)	109.2790	0.055	2	109.2790	0.003	2	109.2790	0.003	2	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	H(CC[5]CO)	109.9845	1.363	4	109.9845	1.857	4	109.0772	3.135	6	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	H(CC[5]CO)	106.9260	0.000	1	106.9260	0.000	1	109.0772	3.135	6	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5]-3:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HO)(ONi)(H)	C(C[5]N[5]2)(CC[5]HO)(OH)(H)	H(CC[5]CO)	107.5990	0.000	1	107.5990	0.000	1	109.0772	3.135	6	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OC)(H)	H(CC[5a]CO)	108.6740	0.000	1	108.6740	0.000	1	108.3370	3.808	4	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	C(C[5a]C[5a]O[5a])(CC[5a]HO)(OH)(H)	H(CC[5a]CO)	109.5950	0.071	2	109.5950	0.005	2	108.3370	3.808	4	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	H(CC[5a]CO)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	C(C[5a]N[5a]2)(CC[5a]HO)(OC)(H)	H(CC[5a]CO)	105.4840	0.000	1	105.4840	0.000	1	108.3370	3.808	4	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	H(CC[5a]CO)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	H(CC[5a]CO)	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	H(CC[5a]CO)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6,6]-3:C-4:N-2:H-1:	C[6,6]-3:C-4:N-2:H-1:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	H(CC[6,6]CN)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	H(CC[6,6]CN)	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	107.0225	2.224	2	107.0225	4.946	2	107.0225	4.946	2	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	H(CC[6a]CC)	107.0125	0.601	4	107.0125	0.361	4	107.0125	0.361	4	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	108.2785	0.238	6	108.2785	0.057	6	108.2785	0.057	6	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	108.3630	0.000	1	108.3630	0.000	1	108.3630	0.000	1	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	108.9525	0.468	17	108.9525	0.219	17	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	H(CC[6a]CN)	107.7080	0.000	1	107.7080	0.000	1	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	H(CC[6a]CN)	107.3590	0.000	1	107.3590	0.000	1	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	H(CC[6a]CN)	108.8050	0.000	1	108.8050	0.000	1	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	107.6300	0.000	1	107.6300	0.000	1	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	109.4270	0.000	1	109.4270	0.000	1	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	H(CC[6a]CN)	107.9630	2.865	2	107.9630	8.209	2	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	H(CC[6a]CN)	107.9450	0.000	1	107.9450	0.000	1	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	H(CC[6a]CN)	106.6670	0.800	2	106.6670	0.641	2	108.5306	1.041	27	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	H(CC[6a]CN)	103.2520	0.000	1	103.2520	0.000	1	107.7588	3.472	9	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	108.1101	0.633	7	108.1101	0.401	7	107.7588	3.472	9	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	H(CC[6a]CN)	109.8060	0.000	1	109.8060	0.000	1	107.7588	3.472	9	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	H(CC[6a]CO)	108.3737	0.525	6	108.3737	0.275	6	108.3737	0.275	6	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	H(CC[6a]CO)	111.7770	0.000	1	111.7770	0.000	1	108.0747	3.529	8	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	H(CC[6a]CO)	107.4178	1.292	6	107.4178	1.670	6	108.0747	3.529	8	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	H(CC[6a]CO)	108.3140	0.000	1	108.3140	0.000	1	108.0747	3.529	8	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	111.0660	0.000	1	111.0660	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OB[5])(H)	H(CC[6a]CO)	109.3850	0.000	1	109.3850	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	108.2655	1.751	27	108.2655	3.066	27	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	H(CC[6a]CO)	113.1140	0.000	1	113.1140	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	H(CC[6a]CO)	107.7690	0.000	1	107.7690	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	109.0430	0.121	3	109.0430	0.015	3	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	101.9340	0.000	1	101.9340	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	108.4400	0.000	1	108.4400	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC[6a])(H)	H(CC[6a]CO)	109.2622	0.479	6	109.2622	0.229	6	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OFe)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OFe)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OFe)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OFe)(H)	H(CC[6a]CO)	108.4735	0.255	4	108.4735	0.065	4	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	107.1900	0.000	1	107.1900	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	108.9510	0.905	3	108.9510	0.818	3	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	108.7263	0.264	6	108.7263	0.070	6	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OP)(H)	H(CC[6a]CO)	109.3550	0.964	2	109.3550	0.930	2	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	108.6990	0.000	1	108.6990	0.000	1	108.5641	2.863	59	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	C[6a]-3:C-4:S-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[5a]HO)(SC[6a])(H)	C(C[5a]C[5a]N[5a])(CC[6a]HS)(OC)(H)	H(CC[6a]CS)	106.7690	0.000	1	106.7690	0.000	1	106.7690	0.000	1	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:1:	4:	N-3:C-4:O-2:H-1:	N-3:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CHNO)(OO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	H(CCNO)	C(NC[6a]H)(CHNO)(OO)(H)	C(NC[6a]H)(CHNO)(OO)(H)	H(CCNO)	109.5020	0.325	4	109.5020	0.106	4	109.5020	0.106	4	108.4375	2.210	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:2:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	H(CC[6a]CO)	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C-3:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	H(CCCO)	C(CC[6a]O)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	H(CCCO)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[5]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	H(CC[5]CO)	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	H(CC[6]CO)	108.7870	0.076	2	108.7870	0.006	2	108.7870	0.006	2	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	H(CC[6a]CC)	112.3200	0.000	1	112.3200	0.000	1	112.3200	0.000	1	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	H(CC[6a]CN)	107.7640	0.000	1	107.7640	0.000	1	110.1797	16.352	3	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	H(CC[6a]CN)	107.9270	0.000	1	107.9270	0.000	1	110.1797	16.352	3	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	H(CC[6a]CN)	114.8480	0.000	1	114.8480	0.000	1	110.1797	16.352	3	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	H(CC[6a]CN)	107.5270	0.358	2	107.5270	0.128	2	108.9107	2.032	7	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	H(CC[6a]CN)	111.6060	0.000	1	111.6060	0.000	1	108.9107	2.032	7	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	108.3630	0.000	1	108.3630	0.000	1	108.9107	2.032	7	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	108.8220	0.144	2	108.8220	0.021	2	108.9107	2.032	7	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	109.7080	0.000	1	109.7080	0.000	1	108.9107	2.032	7	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	H(CC[6a]CO)	108.7910	0.000	2	108.7910	0.000	2	108.6308	0.538	8	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	109.2520	0.000	1	109.2520	0.000	1	108.6308	0.538	8	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	107.8523	0.471	3	107.8523	0.222	3	108.6308	0.538	8	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	H(CC[6a]CO)	109.5480	0.000	1	109.5480	0.000	1	108.6308	0.538	8	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	109.1070	0.000	1	109.1070	0.000	1	108.6308	0.538	8	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OFe)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]Fe)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OFe)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]Fe)(H)	H(CC[6a]CO)	107.6440	0.000	1	107.6440	0.000	1	108.1206	0.540	11	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	H(CC[6a]CO)	108.9610	0.000	1	108.9610	0.000	1	108.1206	0.540	11	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	H(CC[6a]CO)	107.9115	0.766	2	107.9115	0.586	2	108.1206	0.540	11	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	H(CC[6a]CO)	108.9040	0.297	2	108.9040	0.088	2	108.1206	0.540	11	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	H(CC[6a]CO)	108.2505	0.532	2	108.2505	0.284	2	108.1206	0.540	11	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	H(CC[6a]CO)	108.3640	0.000	1	108.3640	0.000	1	108.1206	0.540	11	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	H(CC[6a]CO)	107.1130	0.262	2	107.1130	0.068	2	108.1206	0.540	11	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	H(CC[6a]CO)	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(OFe)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]Fe)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HS)(OFe)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]Fe)(H)	H(CC[6a]CO)	108.5900	0.000	1	108.5900	0.000	1	108.7895	0.080	2	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	H(CC[6a]CO)	108.9890	0.000	1	108.9890	0.000	1	108.7895	0.080	2	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	H(CC[6a]CO)	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:1:	4:	N-3:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(NC[6a]S)(CCCH)(OC)(H)	C(CC[6a]C)(CHNO)(COO)(H)	H(CCNO)	C(NC[6a]S)(CCCH)(OC)(H)	C(CC[6a]C)(CHNO)(COO)(H)	H(CCNO)	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	108.8454	2.122	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCC)(OH)	H(CC[6a]CO)	109.8560	0.000	1	109.8560	0.000	1	109.2107	0.312	3	109.2107	0.312	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(OC)	H(CC[6a]CO)	108.8980	0.000	1	108.8980	0.000	1	109.2107	0.312	3	109.2107	0.312	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(OH)	H(CC[6a]CO)	108.8780	0.000	1	108.8780	0.000	1	109.2107	0.312	3	109.2107	0.312	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:3:3:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]H)(COO)	H(CC[6a]CO)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C-3:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(OSi)(H)	C(CN[5]O)(CCHO)(CF3)(H)	H(CCCO)	C(CC[6a]O)(CCCH)(OSi)(H)	C(CN[5]O)(CCHO)(CF3)(H)	H(CCCO)	108.3600	0.238	2	108.3600	0.056	2	108.3600	0.056	2	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[5]-3:C-4:S-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	H(CC[5]CS)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	H(CC[5]CS)	108.7340	0.000	1	108.7340	0.000	1	108.7340	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C-4:N-4:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	H(CC[6]CO)	109.1350	0.117	2	109.1350	0.014	2	109.1350	0.014	2	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	H(CC[6a]CC)	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-2:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	107.5250	0.000	1	107.5250	0.000	1	107.5250	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	H(CC[6a]CN)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-3:C-4:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	H(CC[6a]CO)	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:B-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	H(CC[6a]CO)	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	H(CC[6a]CO)	108.5063	0.871	3	108.5063	0.758	3	108.0044	0.534	11	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	H(CC[6a]CO)	108.0180	0.000	1	108.0180	0.000	1	108.0044	0.534	11	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	H(CC[6a]CO)	107.9437	0.182	3	107.9437	0.033	3	108.0044	0.534	11	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	H(CC[6a]CO)	107.6880	0.000	1	107.6880	0.000	1	108.0044	0.534	11	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	H(CC[6a]CO)	108.7510	0.000	1	108.7510	0.000	1	108.0044	0.534	11	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	H(CC[6a]CO)	107.7410	0.000	1	107.7410	0.000	1	108.0044	0.534	11	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	H(CC[6a]CO)	106.5000	0.000	1	106.5000	0.000	1	108.0044	0.534	11	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	H(CC[6a]CO)	108.4938	0.375	47	108.4938	0.141	47	108.4938	0.141	47	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-4:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]FS)(OC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SCOO)(F)	H(CC[6a]CO)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	H(CC[6a]CO)	109.0030	0.216	2	109.0030	0.047	2	109.0030	0.047	2	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	H(CC[6a]CO)	108.7290	0.000	1	108.7290	0.000	1	107.9520	1.207	2	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	H(CC[6a]CO)	107.1750	0.000	1	107.1750	0.000	1	107.9520	1.207	2	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	H(CC[6a]CO)	108.9090	0.075	2	108.9090	0.006	2	108.9090	0.006	2	108.4067	0.350	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	H(CC[6a]CO)	108.4190	0.169	3	108.4190	0.028	3	108.1020	0.299	7	108.1020	0.299	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	H(CC[6a]CO)	108.0205	0.544	2	108.0205	0.296	2	108.1020	0.299	7	108.1020	0.299	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	H(CC[6a]CO)	107.0680	0.000	1	107.0680	0.000	1	108.1020	0.299	7	108.1020	0.299	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	H(CC[6a]CO)	108.3480	0.000	1	108.3480	0.000	1	108.1020	0.299	7	108.1020	0.299	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:3:	4:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	H(CC[6a]CC)	107.4700	0.045	2	107.4700	0.002	2	107.4700	0.002	2	107.0440	0.545	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	H(CC[6a]CO)	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	107.0440	0.545	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	H(CC[6a]CO)	107.9220	0.000	1	107.9220	0.000	1	108.0015	0.013	2	108.0015	0.013	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	3:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	H(CC[6a]CO)	108.0810	0.000	1	108.0810	0.000	1	108.0015	0.013	2	108.0015	0.013	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6]O)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	110.0910	0.000	1	110.0910	0.000	1	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[5])(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]C[5])(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	107.7055	0.067	2	107.7055	0.005	2	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]O)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.9832	0.195	4	109.9832	0.038	4	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CClN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.4670	0.000	1	109.4670	0.000	1	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5]O)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	110.5180	0.000	1	110.5180	0.000	1	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5]O)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	106.1790	0.000	1	106.1790	0.000	1	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRuC)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CRuC)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	109.5470	0.202	2	109.5470	0.041	2	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSnC)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CSnC)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	108.2540	0.000	1	108.2540	0.000	1	109.1498	1.659	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]O)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	C(CC[5]O)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	109.6770	0.000	1	109.6770	0.000	1	109.5513	0.190	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	C(CC[6a]O)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	109.9110	0.000	1	109.9110	0.000	1	109.5513	0.190	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	C(CN[5]O)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	109.0660	0.000	1	109.0660	0.000	1	109.5513	0.190	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C-3:C-4:Se-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(SeC)(H)	C(CSeCH)(H)3	H(CSeCC)	C(CC[6a]O)(CH3)(SeC)(H)	C(CSeCH)(H)3	H(CSeCC)	108.2765	1.378	2	108.2765	1.899	2	108.2765	1.899	2	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	109.5870	0.000	1	109.5870	0.000	1	109.5443	0.041	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2)(CH3)(OH)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4]2)(CH3)(OH)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	109.3230	0.000	1	109.3230	0.000	1	109.5443	0.041	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2)(CH3)(OP)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4]2)(CH3)(OP)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	109.7230	0.000	1	109.7230	0.000	1	109.5443	0.041	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.2000	0.000	1	109.2000	0.000	1	109.2097	0.059	4	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5])(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]P[5])(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.0760	0.000	1	109.0760	0.000	1	109.2097	0.059	4	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]N[5]2)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.2815	0.387	2	109.2815	0.150	2	109.2097	0.059	4	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	C(CC[5a]HN)(F)3	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	C(CC[5a]HN)(F)3	H(CC[5a]CN)	107.8720	0.000	1	107.8720	0.000	1	107.8720	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	109.4830	0.000	1	109.4830	0.000	1	106.7300	8.620	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]S[5a])(CF3)(OSn)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(CF3)(OSn)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	107.0670	0.000	1	107.0670	0.000	1	106.7300	8.620	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	C(C[5a]N[5a]S[5a])(CF3)(OH)(H)	C(CC[5a]HO)(F)3	H(CC[5a]CO)	103.6400	0.000	1	103.6400	0.000	1	106.7300	8.620	3	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	108.1010	0.000	1	108.1010	0.000	1	108.1055	0.629	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	108.9530	0.000	1	108.9530	0.000	1	108.1055	0.629	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	107.5635	0.414	2	107.5635	0.171	2	108.1055	0.629	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CH3)(OC)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	C(C[5a]N[5a]2)(CH3)(OC)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	109.4050	0.000	1	109.4050	0.000	1	108.1055	0.629	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CH3)(OH)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	C(C[5a]N[5a]2)(CH3)(OH)(H)	C(CC[5a]HO)(H)3	H(CC[5a]CO)	107.9731	0.779	8	107.9731	0.606	8	108.1055	0.629	13	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6,6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	H(CC[6,6]CO)	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6]2)(CF3)(OPd)(H)	C(CC[6]HO)(F)3	H(CC[6]CO)	C(C[6]C[6]2)(CF3)(OPd)(H)	C(CC[6]HO)(F)3	H(CC[6]CO)	96.5431	0.000	1	96.5431	0.000	1	96.5431	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.8470	0.000	1	109.8470	0.000	1	109.1661	0.200	8	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.8120	0.676	2	108.8120	0.457	2	109.1661	0.200	8	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.2587	0.269	3	109.2587	0.072	3	109.1661	0.200	8	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CH3)(ON)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6])(CH3)(ON)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.0410	0.170	2	109.0410	0.029	2	109.1661	0.200	8	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.2650	0.000	1	107.2650	0.000	1	107.0090	0.131	2	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(CN)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CN)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.7530	0.000	1	106.7530	0.000	1	107.0090	0.131	2	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C(CC[6a]HN)(Cl)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C(CC[6a]HN)(Cl)3	H(CC[6a]CN)	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	109.0221	0.377	12	109.0221	0.142	12	108.5339	0.827	77	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.7620	0.713	2	107.7620	0.508	2	108.5339	0.827	77	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.5303	0.889	56	108.5303	0.790	56	108.5339	0.827	77	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NN)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NN)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.9170	0.000	1	108.9170	0.000	1	108.5339	0.827	77	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.4725	0.247	4	108.4725	0.061	4	108.5339	0.827	77	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NPd)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NPd)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.8050	0.000	1	107.8050	0.000	1	108.5339	0.827	77	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NRu)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NRu)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	105.0090	0.000	1	105.0090	0.000	1	108.5339	0.827	77	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C(CC[6a]HO)(Br)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C(CC[6a]HO)(Br)(H)2	H(CC[6a]CO)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C(CC[6a]HO)(Cl)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl3)(OC)(H)	C(CC[6a]HO)(Cl)3	H(CC[6a]CO)	108.8270	0.000	1	108.8270	0.000	1	108.6945	0.035	2	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C(CC[6a]HO)(Cl)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl3)(OS)(H)	C(CC[6a]HO)(Cl)3	H(CC[6a]CO)	108.5620	0.000	1	108.5620	0.000	1	108.6945	0.035	2	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OC)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	108.8598	0.697	5	108.8598	0.485	5	107.8153	3.401	11	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)(OH)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OH)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	106.2210	0.000	1	106.2210	0.000	1	107.8153	3.401	11	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)(OPd)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CF3)(OPd)(H)	C(CC[6a]HO)(F)3	H(CC[6a]CO)	107.0896	2.315	5	107.0896	5.360	5	107.8153	3.401	11	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:I-1:	C-4:	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C(CC[6a]HO)(F)2(I)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CFFI)(OH)(H)	C(CC[6a]HO)(F)2(I)	H(CC[6a]CO)	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.8120	0.039	3	109.8120	0.002	3	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.2883	0.715	4	108.2883	0.511	4	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.6590	0.000	1	109.6590	0.000	1	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OC)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.2797	1.403	20	109.2797	1.968	20	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(OFe)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OFe)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.0530	0.000	1	108.0530	0.000	1	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.6175	1.258	47	108.6175	1.583	47	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(ON)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(ON)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.4967	1.105	7	108.4967	1.221	7	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(OP)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CH3)(OP)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.1430	0.000	1	109.1430	0.000	1	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.9650	0.000	1	108.9650	0.000	1	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	108.9250	0.028	2	108.9250	0.001	2	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]N[6a]2)(CH3)(OH)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.1015	0.385	2	109.1015	0.149	2	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	C(CC[6a]HO)(H)3	H(CC[6a]CO)	109.4790	0.000	1	109.4790	0.000	1	108.8226	1.486	90	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C(CC[6a]HO)(H)2(I)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	C(CC[6a]HO)(H)2(I)	H(CC[6a]CO)	107.8960	0.346	2	107.8960	0.120	2	107.8960	0.120	2	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)(SC)(H)	C(CC[6a]HS)(F)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(CF3)(SC)(H)	C(CC[6a]HS)(F)3	H(CC[6a]CS)	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(SC)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(CH3)(SC)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	108.4913	0.251	6	108.4913	0.063	6	108.4449	0.073	9	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(SRu)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(CH3)(SRu)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	108.3520	0.342	3	108.3520	0.117	3	108.4449	0.073	9	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	C[6a]-3:C-4:Se-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(SeC)(H)	C(CC[6a]SeH)(H)3	H(CC[6a]SeC)	C(C[6a]C[6a]2)(CH3)(SeC)(H)	C(CC[6a]SeH)(H)3	H(CC[6a]SeC)	106.7058	1.125	6	106.7058	1.265	6	106.7058	1.265	6	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	N[5]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CH3)(CN)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CN)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.2760	0.000	1	108.2760	0.000	1	108.2760	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	C(CN[5a]HO)(H)3	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	C(CN[5a]HO)(H)3	H(CN[5a]CO)	110.0830	0.000	1	110.0830	0.000	1	109.9787	3.969	6	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	C(CN[5a]HO)(H)3	H(CN[5a]CO)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	C(CN[5a]HO)(H)3	H(CN[5a]CO)	108.7730	0.000	1	108.7730	0.000	1	109.9787	3.969	6	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CH3)(OC)(H)	C(CN[5a]HO)(H)3	H(CN[5a]CO)	C(N[5a]N[5a]2)(CH3)(OC)(H)	C(CN[5a]HO)(H)3	H(CN[5a]CO)	110.2540	2.455	4	110.2540	6.026	4	109.9787	3.969	6	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	N[5a]-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	C(CN[5a]HS)(H)3	H(CN[5a]CS)	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	C(CN[5a]HS)(H)3	H(CN[5a]CS)	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:1:1:1:	4:	N[6,6]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	C(CN[6,6]CH)(H)3	H(CN[6,6]CC)	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	C(CN[6,6]CH)(H)3	H(CN[6,6]CC)	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	108.5494	2.035	264	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]H)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[5]H)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	110.3710	0.000	1	110.3710	0.000	1	109.5685	1.288	2	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]H)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[5]H)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.7660	0.000	1	108.7660	0.000	1	109.5685	1.288	2	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	C(CC[5a]HO)(OC)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	C(CC[5a]HO)(OC)(H)2	H(CC[5a]CO)	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN)(H)2	H(CC[6a]CC)	107.7040	0.795	2	107.7040	0.632	2	107.7040	0.632	2	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	108.8380	0.511	2	108.8380	0.261	2	108.8380	0.261	2	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC)(H)2	H(CC[6a]CO)	107.3526	1.850	10	107.3526	3.421	10	107.5260	3.410	11	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CN)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CN)(H)2	H(CC[6a]CO)	109.2600	0.000	1	109.2600	0.000	1	107.5260	3.410	11	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NH)(H)2	H(CC[6a]CO)	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC)(H)2	H(CC[6a]CO)	109.6277	0.762	6	109.6277	0.581	6	109.2829	0.377	18	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC[6a])(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OC)(H)	C(CC[6a]HO)(OC[6a])(H)2	H(CC[6a]CO)	109.3813	0.422	3	109.3813	0.178	3	109.2829	0.377	18	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C(CC[6a]HO)(OH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OH)(H)	C(CC[6a]HO)(OH)(H)2	H(CC[6a]CO)	108.6580	0.000	1	108.6580	0.000	1	109.2829	0.377	18	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OC)(H)2	H(CC[6a]CO)	109.0318	0.463	4	109.0318	0.215	4	109.2829	0.377	18	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	H(CC[6a]CO)	109.8890	0.000	1	109.8890	0.000	1	109.2829	0.377	18	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	C(CC[6a]HO)(OC[6a])(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	C(CC[6a]HO)(OC[6a])(H)2	H(CC[6a]CO)	108.7185	0.250	2	108.7185	0.062	2	109.2829	0.377	18	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	C(CC[6a]HO)(OH)(H)2	H(CC[6a]CO)	109.0710	0.000	1	109.0710	0.000	1	109.2829	0.377	18	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C(CC[6a]HO)(SC[6a])(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OH)(H)	C(CC[6a]HO)(SC[6a])(H)2	H(CC[6a]CO)	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(SC)(H)	C(CC[6a]HS)(OC)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CHHO)(SC)(H)	C(CC[6a]HS)(OC)(H)2	H(CC[6a]CS)	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:1:1:	4:	N[5]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C(CN[5]HO)(OC)(H)2	H(CN[5]CO)	C(N[5]C[5]N[5])(CHHO)(OC)(H)	C(CN[5]HO)(OC)(H)2	H(CN[5]CO)	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	108.6920	1.776	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-2:S-2:H-1:	C-4:	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C(CC[6a]HO)(SC[6a])(SC[6])(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHSS)(OH)(H)	C(CC[6a]HO)(SC[6a])(SC[6])(H)	H(CC[6a]CO)	108.7045	0.264	2	108.7045	0.070	2	108.7045	0.070	2	108.7045	0.070	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(COO)(H)	H(CC[6a]CO)	109.5450	0.300	2	109.5450	0.090	2	109.5450	0.090	2	109.5450	0.090	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(ON[6])(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(ON[6])(CH3)(H)	H(CC[6a]CO)	107.7630	0.000	1	107.7630	0.000	1	108.4774	0.233	11	108.5022	0.219	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CH3)(H)	H(CC[6a]CO)	108.5195	0.327	2	108.5195	0.107	2	108.4774	0.233	11	108.5022	0.219	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	H(CC[6a]CO)	108.5561	0.487	8	108.5561	0.237	8	108.4774	0.233	11	108.5022	0.219	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:2:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	H(CC[6a]CO)	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.5022	0.219	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C-3:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(NS)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	C(CC[6a]O)(CCHH)(NS)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]H)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CC[6]H)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.7130	0.000	1	109.7130	0.000	1	108.6596	0.358	5	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(OC)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CC[6a]O)(CCHH)(OC)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.3380	0.000	2	108.3380	0.000	2	108.6596	0.358	5	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	108.4545	0.176	2	108.4545	0.031	2	108.6596	0.358	5	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]N[5]2)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	H(CC[5]CO)	C(C[5]N[5]2)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	H(CC[5]CO)	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C(CC[5a]HO)(CCH)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]2)(CCHH)(OC)(H)	C(CC[5a]HO)(CCH)(H)2	H(CC[5a]CO)	108.1650	0.000	1	108.1650	0.000	1	108.5830	0.349	2	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CNO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CNO)(H)2	H(CC[5a]CO)	109.0010	0.000	1	109.0010	0.000	1	108.5830	0.349	2	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NCH)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NCH)(H)2	H(CC[5a]CO)	106.6405	0.172	2	106.6405	0.030	2	107.6435	1.589	4	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NOO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	C(CC[5a]HO)(NOO)(H)2	H(CC[5a]CO)	108.6465	0.845	2	108.6465	0.714	2	107.6435	1.589	4	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[5a]-3:C-4:S-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	C(CC[5a]HS)(NCH)(H)2	H(CC[5a]CS)	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	C(CC[5a]HS)(NCH)(H)2	H(CC[5a]CS)	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CC[6a]O)(H)2	H(CC[6]CO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CC[6a]O)(H)2	H(CC[6]CO)	108.6540	0.000	1	108.6540	0.000	1	108.6540	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	109.4830	0.000	1	109.4830	0.000	1	108.2662	0.727	10	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.6460	0.000	1	108.6460	0.000	1	108.2662	0.727	10	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CNS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CNS)(H)2	H(CC[6a]CC)	107.2405	0.332	2	107.2405	0.110	2	108.2662	0.727	10	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.1446	0.612	5	108.1446	0.374	5	108.2662	0.727	10	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN[5a]O)(H)2	H(CC[6a]CC)	109.3290	0.000	1	109.3290	0.000	1	108.2662	0.727	10	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(Br)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(Br)(H)	H(CC[6a]CN)	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	H(CC[6a]CN)	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	109.1160	0.000	1	109.1160	0.000	1	109.1160	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:H-1:O-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	H(CC[6a]CN)	104.5850	0.000	1	104.5850	0.000	1	103.4263	1.250	3	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:H-1:O-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	H(CC[6a]CN)	102.8470	0.697	2	102.8470	0.486	2	103.4263	1.250	3	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:N-3:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C(CC[6a]HN)(NOO)(Cl)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C(CC[6a]HN)(NOO)(Cl)2	H(CC[6a]CN)	106.8570	0.000	1	106.8570	0.000	1	106.8570	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:Br-1:	C-4:	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBr2C)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)2	H(CC[6a]CO)	107.3120	0.000	1	107.3120	0.000	1	107.3120	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[5a]O)(Br)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[5a]O)(Br)(H)	H(CC[6a]CO)	109.6850	0.000	1	109.6850	0.000	1	109.4040	0.310	8	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	H(CC[6a]CO)	109.0660	0.329	3	109.0660	0.108	3	109.4040	0.310	8	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	H(CC[6a]CO)	109.5873	0.683	4	109.5873	0.467	4	109.4040	0.310	8	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(Cl)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(Cl)2	H(CC[6a]CO)	107.4614	1.176	5	107.4614	1.382	5	107.5902	0.949	8	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Cl)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(Cl)2	H(CC[6a]CO)	107.8050	0.667	3	107.8050	0.445	3	107.5902	0.949	8	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:F-1:	C-4:	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C(CC[6a]HO)(COO)(Cl)(F)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCF)(OC)(H)	C(CC[6a]HO)(COO)(Cl)(F)	H(CC[6a]CO)	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CNO)(Cl)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CNO)(Cl)(H)	H(CC[6a]CO)	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]HO)(CCO)(F)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]HO)(CCO)(F)2	H(CC[6a]CO)	109.4260	0.000	1	109.4260	0.000	1	109.4260	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	H(CC[6a]CO)	110.2290	0.000	1	110.2290	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	H(CC[6a]CO)	108.2600	0.000	1	108.2600	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCH)(H)2	H(CC[6a]CO)	109.4507	0.430	10	109.4507	0.185	10	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCO)(H)2	H(CC[6a]CO)	108.7600	0.000	1	108.7600	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CNO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CNO)(H)2	H(CC[6a]CO)	107.8320	0.000	1	107.8320	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCC)(H)2	H(CC[6a]CO)	107.6480	0.006	2	107.6480	0.000	2	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCH)(H)2	H(CC[6a]CO)	108.2622	0.821	5	108.2622	0.675	5	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCO)(H)2	H(CC[6a]CO)	108.7018	0.655	10	108.7018	0.428	10	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5]O)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5]O)(H)2	H(CC[6a]CO)	108.9440	0.000	1	108.9440	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[5a]O)(H)2	H(CC[6a]CO)	109.3960	0.000	1	109.3960	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	H(CC[6a]CO)	107.5350	0.000	1	107.5350	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(H)2	H(CC[6a]CO)	110.4984	4.732	7	110.4984	22.388	7	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CNO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CNO)(H)2	H(CC[6a]CO)	108.7250	0.406	3	108.7250	0.165	3	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(COO)(H)2	H(CC[6a]CO)	109.2920	2.256	3	109.2920	5.091	3	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CC[6a]N)(H)2	H(CC[6a]CO)	109.2920	0.000	1	109.2920	0.000	1	109.0817	3.917	48	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C(CC[6a]HO)(COO)(H)(I)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	C(CC[6a]HO)(COO)(H)(I)	H(CC[6a]CO)	109.1513	0.577	7	109.1513	0.332	7	108.8995	0.792	8	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C(CC[6a]HO)(COO)(H)(I)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	C(CC[6a]HO)(COO)(H)(I)	H(CC[6a]CO)	107.1370	0.000	1	107.1370	0.000	1	108.8995	0.792	8	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C(CC[6a]HO)(NOO)(Cl)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2N)(OC)(H)	C(CC[6a]HO)(NOO)(Cl)2	H(CC[6a]CO)	109.6940	0.390	2	109.6940	0.152	2	109.6940	0.152	2	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	108.8860	0.000	1	108.8860	0.000	1	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	110.2450	0.000	1	110.2450	0.000	1	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NC[6a]S)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NC[6a]S)(H)2	H(CC[6a]CO)	109.6200	0.209	2	109.6200	0.044	2	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NHS)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NHS)(H)2	H(CC[6a]CO)	108.8255	0.991	2	108.8255	0.981	2	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	107.8380	0.000	1	107.8380	0.000	1	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCC)(H)2	H(CC[6a]CO)	108.9663	0.696	3	108.9663	0.484	3	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCH)(H)2	H(CC[6a]CO)	108.8166	0.764	8	108.8166	0.583	8	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCS)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCS)(H)2	H(CC[6a]CO)	108.4310	0.000	1	108.4310	0.000	1	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(H)2	H(CC[6a]CO)	108.0285	0.117	2	108.0285	0.014	2	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	C(CC[6a]HO)(NHH)(H)2	H(CC[6a]CO)	108.4520	0.000	1	108.4520	0.000	1	108.8287	0.570	22	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C(CC[6a]HO)(SC[6a]O)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OC)(H)	C(CC[6a]HO)(SC[6a]O)(H)2	H(CC[6a]CO)	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CCC)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CCC)(H)2	H(CC[6a]CS)	108.3980	0.000	1	108.3980	0.000	1	108.7540	0.253	2	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CN[5]O)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CN[5]O)(H)2	H(CC[6a]CS)	109.1100	0.000	1	109.1100	0.000	1	108.7540	0.253	2	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(SC)(H)	C(CC[6a]HS)(NOO)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CHHN)(SC)(H)	C(CC[6a]HS)(NOO)(H)2	H(CC[6a]CS)	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:1:1:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C(CN[5a]HO)(CNO)(H)2	H(CN[5a]CO)	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	C(CN[5a]HO)(CNO)(H)2	H(CN[5a]CO)	109.8900	0.037	2	109.8900	0.001	2	109.8900	0.001	2	108.6939	2.595	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(COO)(OH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(COO)(OH)(H)	H(CC[5]CO)	108.6390	0.791	2	108.6390	0.625	2	108.6390	0.625	2	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	H(CC[5a]CO)	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]2)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	H(CC[6]CO)	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C(CC[6a]HN)(COO)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C(CC[6a]HN)(COO)(NC)(H)	H(CC[6a]CN)	107.0870	0.000	1	107.0870	0.000	1	107.0870	0.000	1	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	H(CC[6a]CO)	108.3530	0.000	1	108.3530	0.000	1	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OC)(H)	H(CC[6a]CO)	105.5585	1.968	2	105.5585	3.873	2	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCO)(OH)(H)	H(CC[6a]CO)	106.6265	1.589	2	106.6265	2.525	2	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6]O)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6]O)(OC)(H)	H(CC[6a]CO)	108.1880	0.000	1	108.1880	0.000	1	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	H(CC[6a]CO)	107.9935	1.020	2	107.9935	1.041	2	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CN[5]O)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CN[5]O)(OC)(H)	H(CC[6a]CO)	107.5400	0.000	1	107.5400	0.000	1	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COO)(OH)(H)	H(CC[6a]CO)	108.9880	0.000	1	108.9880	0.000	1	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COS)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(COS)(OC)(H)	H(CC[6a]CO)	108.1110	0.000	1	108.1110	0.000	1	107.4125	2.070	11	107.6109	1.675	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	C(CC[5a]HO)(COO)(NCH)(H)	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	C(CC[5a]HO)(COO)(NCH)(H)	H(CC[5a]CO)	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CCO)(CNO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CCO)(CNO)(H)	H(CC[6a]CN)	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(COO)(NCC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(COO)(NCC)(H)	H(CC[6a]CN)	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCH)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCH)(COO)(H)	H(CC[6a]CO)	108.1960	0.047	2	108.1960	0.002	2	108.5620	0.403	3	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCO)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCO)(COO)(H)	H(CC[6a]CO)	109.2940	0.000	1	109.2940	0.000	1	108.5620	0.403	3	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCH)(H)	H(CC[6a]CO)	107.0410	0.000	1	107.0410	0.000	1	108.4740	0.491	10	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCH)(NCS)(H)	H(CC[6a]CO)	109.2920	0.000	1	109.2920	0.000	1	108.4740	0.491	10	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCC)(H)	H(CC[6a]CO)	109.2930	0.000	1	109.2930	0.000	1	108.4740	0.491	10	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NCH)(H)	H(CC[6a]CO)	108.1817	0.260	4	108.1817	0.067	4	108.4740	0.491	10	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NHH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(COO)(NHH)(H)	H(CC[6a]CO)	108.8490	0.000	1	108.8490	0.000	1	108.4740	0.491	10	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	H(CC[6a]CO)	108.7690	0.404	2	108.7690	0.164	2	108.4740	0.491	10	108.8226	1.206	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:2:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C(CC[6a]HN)(CCO)2(OH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C(CC[6a]HN)(CCO)2(OH)	H(CC[6a]CN)	106.2310	0.000	1	106.2310	0.000	1	106.2310	0.000	1	107.8920	5.518	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C(CC[6a]HO)(CCH)(COO)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	C(CC[6a]HO)(CCH)(COO)(OH)	H(CC[6a]CO)	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	107.8920	5.518	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	H(CC[6a]CC)	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	H(CC[6a]CN)	107.6220	0.000	1	107.6220	0.000	1	108.1040	0.465	2	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CC[6a]CN)	108.5860	0.000	1	108.5860	0.000	1	108.1040	0.465	2	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	H(CC[6a]CO)	109.1910	0.000	1	109.1910	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CC[6a]CO)	107.7110	0.000	1	107.7110	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CC[6a]CO)	109.1830	0.000	1	109.1830	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	H(CC[6a]CO)	107.6450	0.000	1	107.6450	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	H(CC[6a]CO)	108.3340	1.728	2	108.3340	2.987	2	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CC[6a]CO)	109.6440	0.405	3	109.6440	0.164	3	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	H(CC[6a]CO)	109.1800	0.000	1	109.1800	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	H(CC[6a]CO)	106.3900	0.000	1	106.3900	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[6]O)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[6]O)(CH3)(H)	H(CC[6a]CO)	108.4780	0.000	1	108.4780	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiC)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiC)(CH3)(H)	H(CC[6a]CO)	109.4420	0.000	1	109.4420	0.000	1	108.6785	1.248	13	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	H(CC[6a]CO)	108.6730	0.082	2	108.6730	0.007	2	108.6730	0.007	2	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:O-1:	C-4:	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]2O)(OC)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	H(CC[6a]CO)	105.8620	0.000	1	105.8620	0.000	1	105.8620	0.000	1	108.4259	1.306	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	H(CC[6a]CO)	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C(CC[6a]HO)(SC[6a]O)(CH3)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C(CC[6a]HO)(SC[6a]O)(CH3)2	H(CC[6a]CO)	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]H)(CCHH)(NN)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CC[4]H)(CCHH)(NN)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.5560	0.000	1	109.5560	0.000	1	108.0270	3.211	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.1775	2.413	2	107.1775	5.824	2	108.0270	3.211	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(NN)(H)	C(CCHN)(CC3)(H)2	H(CCCN)	C(CN[5]O)(CCHH)(NN)(H)	C(CCHN)(CC3)(H)2	H(CCCN)	108.1970	0.000	1	108.1970	0.000	1	108.0270	3.211	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C-3:C-4:N-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[5]O)(CHHN)(NC)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	C(CN[5]O)(CHHN)(NC)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]O)(CCHH)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CC[5,6]O)(CCHH)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	109.2975	0.011	2	109.2975	0.000	2	108.8530	0.278	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	108.5550	0.000	1	108.5550	0.000	1	108.8530	0.278	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CN[5]O)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	108.2620	0.000	1	108.2620	0.000	1	108.8530	0.278	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	C(C[5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	108.1525	0.462	2	108.1525	0.213	2	108.4555	0.792	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(OH)(H)	C(CC[5]CH)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2)(CCHH)(OH)(H)	C(CC[5]CH)(CC[5]HO)(H)2	H(CC[5]CO)	107.8110	0.000	1	107.8110	0.000	1	108.4555	0.792	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	109.7060	0.000	1	109.7060	0.000	1	108.4555	0.792	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	H(CC[5]CO)	110.3520	0.000	1	110.3520	0.000	1	108.5670	2.015	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	H(CC[5]CO)	107.7475	1.223	2	107.7475	1.495	2	108.5670	2.015	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(H)2	H(CC[5]CO)	108.4210	0.000	1	108.4210	0.000	1	108.5670	2.015	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	107.7370	0.000	1	107.7370	0.000	1	107.6720	0.008	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CC[5]HH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CC[5]HH)(H)2	H(CC[5a]CC)	107.6070	0.000	1	107.6070	0.000	1	107.6720	0.008	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CCHO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CCHO)(H)2	H(CC[5a]CO)	107.3475	0.053	2	107.3475	0.003	2	107.2626	0.169	5	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	H(CC[5a]CO)	107.7720	0.000	1	107.7720	0.000	1	107.2626	0.169	5	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CHHN)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CC[5a]HO)(CHHN)(H)2	H(CC[5a]CO)	106.9230	0.410	2	106.9230	0.168	2	107.2626	0.169	5	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	H(CC[5a]CO)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	H(CC[5a]CO)	109.1780	0.354	2	109.1780	0.125	2	109.1780	0.125	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(CC[5a]CO)	109.0100	0.000	1	109.0100	0.000	1	109.2815	0.147	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	H(CC[5a]CO)	109.5530	0.000	1	109.5530	0.000	1	109.2815	0.147	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[5a]-3:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	C(CC[5a]HS)(CCHH)(H)2	H(CC[5a]CS)	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	C(CC[5a]HS)(CCHH)(H)2	H(CC[5a]CS)	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C-4:As-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CC[6]AsH)(CCHH)(H)2	H(CC[6]AsC)	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CC[6]AsH)(CCHH)(H)2	H(CC[6]AsC)	111.8190	0.000	1	111.8190	0.000	1	111.8190	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	H(CC[6]CO)	C(C[6]C[6]2)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	H(CC[6]CO)	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	H(CC[6]CO)	108.0660	0.540	2	108.0660	0.292	2	108.0660	0.292	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CBrHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CBrHH)(H)2	H(CC[6a]CC)	107.9590	0.000	1	107.9590	0.000	1	107.8772	0.118	9	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	108.1480	0.000	1	108.1480	0.000	1	107.8772	0.118	9	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCCO)(H)2	H(CC[6a]CC)	107.3110	0.000	1	107.3110	0.000	1	107.8772	0.118	9	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCFH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCFH)(H)2	H(CC[6a]CC)	107.4930	0.000	1	107.4930	0.000	1	107.8772	0.118	9	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	107.9120	0.000	1	107.9120	0.000	1	107.8772	0.118	9	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CF3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CF3)(H)2	H(CC[6a]CC)	107.9150	0.098	2	107.9150	0.010	2	107.8772	0.118	9	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	108.1210	0.511	2	108.1210	0.261	2	107.8772	0.118	9	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	H(CC[6a]CN)	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	106.7680	0.000	1	106.7680	0.000	1	108.3632	1.221	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CHHN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CHHN)(H)2	H(CC[6a]CN)	108.7705	0.419	2	108.7705	0.176	2	108.3632	1.221	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	109.1440	0.000	1	109.1440	0.000	1	108.3632	1.221	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	B[5,5]-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	H(CC[6a]CO)	107.5860	0.000	1	107.5860	0.000	1	107.5860	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	B[5,5]-4:C-4:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	H(CC[6a]CO)	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CCHH)(Br)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CC[6a]HO)(CCHH)(Br)(H)	H(CC[6a]CO)	107.8890	0.000	1	107.8890	0.000	1	107.2752	0.168	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CHHO)(Br)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CC[6a]HO)(CHHO)(Br)(H)	H(CC[6a]CO)	107.0707	0.023	3	107.0707	0.001	3	107.2752	0.168	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(CC[6a]HO)2(Cl)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(CC[6a]HO)2(Cl)2	H(CC[6a]CO)	108.0850	0.001	2	108.0850	0.000	2	108.2173	0.053	3	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)2(Cl)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)2(Cl)2	H(CC[6a]CO)	108.4820	0.000	1	108.4820	0.000	1	108.2173	0.053	3	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	H(CC[6a]CO)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(F)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(F)2	H(CC[6a]CO)	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	H(CC[6a]CO)	109.1420	0.000	1	109.1420	0.000	1	109.7295	0.690	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C(CC[6a]HO)(CH3)(F)(H)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C(CC[6a]HO)(CH3)(F)(H)	H(CC[6a]CO)	110.3170	0.000	1	110.3170	0.000	1	109.7295	0.690	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	109.2860	0.038	2	109.2860	0.001	2	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHN)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHN)(H)2	H(CC[6a]CO)	110.0200	0.298	2	110.0200	0.089	2	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CC[6a]HO)(CHHO)(H)2	H(CC[6a]CO)	109.7345	0.340	2	109.7345	0.116	2	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.7180	0.075	2	108.7180	0.006	2	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.1750	0.000	1	108.1750	0.000	1	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.6555	0.630	2	108.6555	0.397	2	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCCH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCCH)(H)2	H(CC[6a]CO)	106.7410	0.000	1	106.7410	0.000	1	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	107.4972	0.937	10	107.4972	0.879	10	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[4]HH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CC[4]HH)(H)2	H(CC[6a]CO)	107.7562	0.607	5	107.7562	0.369	5	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CH3)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CH3)(H)2	H(CC[6a]CO)	106.5335	1.495	4	106.5335	2.236	4	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(H)2	H(CC[6a]CO)	108.7120	0.000	1	108.7120	0.000	1	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	108.8530	0.048	2	108.8530	0.002	2	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(ONi)(H)	C(CC[6a]HO)(CNiCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(ONi)(H)	C(CC[6a]HO)(CNiCC)(H)2	H(CC[6a]CO)	108.3215	0.175	4	108.3215	0.031	4	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CClCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CC[6a]HO)(CClCC)(H)2	H(CC[6a]CO)	109.6760	0.000	1	109.6760	0.000	1	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	109.4322	0.252	4	109.4322	0.064	4	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C(CC[6a]HO)(CCHH)(H)2	H(CC[6a]CO)	108.0880	0.000	1	108.0880	0.000	1	108.2461	1.399	44	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OC)(H)	C(CC[6a]HO)(NCHH)(H)2	H(CC[6a]CO)	109.3880	0.000	1	109.3880	0.000	1	108.7906	1.449	36	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCHH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NCHH)(H)2	H(CC[6a]CO)	108.8103	1.326	26	108.8103	1.758	26	108.7906	1.449	36	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NH3)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OH)(H)	C(CC[6a]HO)(NH3)(H)2	H(CC[6a]CO)	108.5616	0.961	7	108.5616	0.924	7	108.7906	1.449	36	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OMo)(H)	C(CC[6a]HO)(NMoCH)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OMo)(H)	C(CC[6a]HO)(NMoCH)(H)2	H(CC[6a]CO)	109.0375	0.595	2	109.0375	0.354	2	108.7906	1.449	36	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C(CC[6a]HO)(PO3)(Cl)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	C(CC[6a]HO)(PO3)(Cl)(H)	H(CC[6a]CO)	109.2757	0.123	3	109.2757	0.015	3	109.2757	0.015	3	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(H)2	H(CC[6a]CO)	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C(CC[6a]HO)(SC[6a]NO)(F)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CFFS)(OH)(H)	C(CC[6a]HO)(SC[6a]NO)(F)2	H(CC[6a]CO)	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C(CC[6a]HO)(SC[6a]OO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHS)(OO)(H)	C(CC[6a]HO)(SC[6a]OO)(H)2	H(CC[6a]CO)	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.2680	0.089	2	108.2680	0.008	2	108.2680	0.008	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.2020	0.000	1	109.2020	0.000	1	108.5767	0.486	3	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.7030	0.000	1	108.7030	0.000	1	108.5767	0.486	3	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	107.8250	0.000	1	107.8250	0.000	1	108.5767	0.486	3	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	107.4040	1.676	2	107.4040	2.808	2	108.2885	2.149	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.6770	0.000	1	109.6770	0.000	1	108.2885	2.149	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	H(CC[6a]CO)	108.6690	0.000	1	108.6690	0.000	1	108.2885	2.149	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	H(CC[6a]CO)	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HH)(CC[6a]HS)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HH)(CC[6a]HS)(H)2	H(CC[6a]CS)	107.9040	0.550	2	107.9040	0.303	2	107.4890	0.529	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CCl2H)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CCl2H)(H)2	H(CC[6a]CS)	106.5290	0.000	1	106.5290	0.000	1	107.4890	0.529	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CHHO)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CC[6a]HS)(CHHO)(H)2	H(CC[6a]CS)	107.6190	0.000	1	107.6190	0.000	1	107.4890	0.529	4	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(SC)(H)	C(CC[6a]HS)(SC[6a]OO)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CHHS)(SC)(H)	C(CC[6a]HS)(SC[6a]OO)(H)2	H(CC[6a]CS)	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[4]HH)(SC[6a])(H)	C(C[4]C[6a]C[4]N[4])(CC[6a]HS)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[4]HH)(SC[6a])(H)	C(C[4]C[6a]C[4]N[4])(CC[6a]HS)(H)2	H(CC[6a]CS)	108.9660	0.151	2	108.9660	0.023	2	108.9660	0.023	2	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(SC[6a])(H)	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6]HH)(SC[6a])(H)	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	H(CC[6a]CS)	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	N-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	N[5]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CN[5]HO)(CH3)(H)2	H(CN[5]CO)	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CN[5]HO)(CH3)(H)2	H(CN[5]CO)	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C(CN[5a]HO)(CCHH)(H)2	H(CN[5a]CO)	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C(CN[5a]HO)(CCHH)(H)2	H(CN[5a]CO)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	N[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CN[6]HO)(CCHH)(H)2	H(CN[6]CO)	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CN[6]HO)(CCHH)(H)2	H(CN[6]CO)	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]HH)(CN[6a]CH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]HH)(CN[6a]CH)(H)2	H(CN[6a]CC)	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:1:1:	4:	N[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C(CN[6a]HO)(CHHN)(H)(I)	H(CN[6a]CO)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C(CN[6a]HO)(CHHN)(H)(I)	H(CN[6a]CO)	109.8260	0.000	1	109.8260	0.000	1	109.8260	0.000	1	108.4666	1.813	174	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C-3:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CN[6]O)(CCHN)(NC)(H)	C(CClCC)(CCHN)(NS)(H)	H(CCCN)	C(CN[6]O)(CCHN)(NC)(H)	C(CClCC)(CCHN)(NS)(H)	H(CCCN)	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CN[5]O)(CCHN)(OC)(H)	C(CCHN)(CCHO)(NN)(H)	H(CCCO)	C(CN[5]O)(CCHN)(OC)(H)	C(CCHN)(CCHO)(NN)(H)	H(CCCO)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]O)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]O)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	H(CCCO)	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[5]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	H(CC[5]CO)	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	H(CC[5a]CO)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	H(CC[5a]CO)	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	H(CC[6]CO)	109.9920	0.000	1	109.9920	0.000	1	112.2087	15.928	3	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	H(CC[6]CO)	109.8180	0.000	1	109.8180	0.000	1	112.2087	15.928	3	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	H(CC[6]CO)	116.8160	0.000	1	116.8160	0.000	1	112.2087	15.928	3	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OC)(H)	H(CC[6a]CC)	107.5650	0.000	1	107.5650	0.000	1	107.0310	0.570	2	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OH)(H)	H(CC[6a]CC)	106.4970	0.000	1	106.4970	0.000	1	107.0310	0.570	2	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(CC[6a]HN)(CH3)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(CC[6a]HN)(CH3)(NC)(H)	H(CC[6a]CN)	108.2305	0.524	2	108.2305	0.275	2	108.2305	0.275	2	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHO)(CC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHO)(CC)(H)	H(CC[6a]CO)	107.5775	1.600	2	107.5775	2.561	2	107.5775	2.561	2	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC)(H)	H(CC[6a]CO)	108.8160	0.000	2	108.8160	0.000	2	108.9860	0.087	3	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NS)(H)	H(CC[6a]CO)	109.3260	0.000	1	109.3260	0.000	1	108.9860	0.087	3	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	108.5315	0.059	2	108.5315	0.003	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CCFF)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CCFF)(OC)(H)	H(CC[6a]CO)	108.4850	0.000	1	108.4850	0.000	1	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CClHH)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CClHH)(OH)(H)	H(CC[6a]CO)	108.9515	0.207	2	108.9515	0.043	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OC)(H)	H(CC[6a]CO)	109.5145	1.278	2	109.5145	1.633	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CC[6a]HO)(CH3)(OH)(H)	H(CC[6a]CO)	108.5130	0.086	2	108.5130	0.007	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	109.0010	0.093	2	109.0010	0.009	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	H(CC[6a]CO)	108.4905	1.150	2	108.4905	1.324	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	H(CC[6a]CO)	108.6400	0.000	1	108.6400	0.000	1	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CHHO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]HO)(CHHO)(OH)(H)	H(CC[6a]CO)	107.3820	0.563	2	107.3820	0.317	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	H(CC[6a]CO)	108.5680	0.000	1	108.5680	0.000	1	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	H(CC[6a]CO)	109.3605	0.521	2	109.3605	0.272	2	108.6938	0.548	19	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C(CC[6a]HO)(PO3)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	C(CC[6a]HO)(PO3)(OC)(H)	H(CC[6a]CO)	107.3730	1.768	2	107.3730	3.125	2	107.3730	3.125	2	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	109.6750	0.000	1	109.6750	0.000	1	109.4530	0.099	2	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	H(CC[6a]CO)	109.2310	0.000	1	109.2310	0.000	1	109.4530	0.099	2	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:1:	4:	N[6a]-3:C-4:S-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C(CN[6a]HS)(CCCH)(OSi)(H)	H(CN[6a]CS)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C(CN[6a]HS)(CCCH)(OSi)(H)	H(CN[6a]CS)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.7610	2.566	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:2:2:	4:	C-3:C-4:N-2:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CN[5]O)(CCCO)(NN)(H)	C(CCHN)(CF3)(CC)(OH)	H(CCCN)	C(CN[5]O)(CCCO)(NN)(H)	C(CCHN)(CF3)(CC)(OH)	H(CCCN)	109.3645	0.896	2	109.3645	0.803	2	109.3645	0.803	2	109.3645	0.803	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C-3:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(NN)(H)	C(CCHN)(CHHN)(CCH)(H)	H(CCCN)	C(CC[6a]O)(CCCH)(NN)(H)	C(CCHN)(CHHN)(CCH)(H)	H(CCCN)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[5a]O)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	H(CCCO)	C(CC[5a]O)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	H(CCCO)	108.7030	0.000	1	108.7030	0.000	1	108.8450	0.015	3	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CN[5]O)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	C(CN[5]O)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	108.9160	0.001	2	108.9160	0.000	2	108.8450	0.015	3	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[5a]-3:C-4:C-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	H(CC[5a]CC)	107.9730	0.074	2	107.9730	0.005	2	107.9730	0.005	2	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CC[5a]CO)	109.3240	0.000	1	109.3240	0.000	1	108.4540	0.286	5	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CC[5a]CO)	108.2365	0.257	4	108.2365	0.066	4	108.4540	0.286	5	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	H(CC[6a]CN)	106.4400	0.000	1	106.4400	0.000	1	106.4400	0.000	1	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CH3)(NHS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CH3)(NHS)(H)	H(CC[6a]CN)	107.6450	0.000	1	107.6450	0.000	1	107.6770	0.002	2	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CHHO)(NHS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CHHO)(NHS)(H)	H(CC[6a]CN)	107.7090	0.000	1	107.7090	0.000	1	107.6770	0.002	2	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	H(CC[6a]CO)	106.9270	2.154	2	106.9270	4.639	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	109.3400	0.000	1	109.3400	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	H(CC[6a]CO)	109.4040	0.000	1	109.4040	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CC[6a]CO)	109.1060	0.000	1	109.1060	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	H(CC[6a]CO)	107.9510	2.298	3	107.9510	5.283	3	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CHN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)(CHN)(H)	H(CC[6a]CO)	108.9230	0.000	2	108.9230	0.000	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	H(CC[6a]CO)	108.8440	0.201	2	108.8440	0.040	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	105.2050	0.000	1	105.2050	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	H(CC[6a]CO)	108.5390	0.000	1	108.5390	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	108.5620	0.000	1	108.5620	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	108.5900	0.000	1	108.5900	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	H(CC[6a]CO)	108.3470	0.759	2	108.3470	0.577	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCF)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCF)(H)	H(CC[6a]CO)	108.3990	0.000	1	108.3990	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CC[6a]CO)	108.6625	0.105	2	108.6625	0.011	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CC[6a]CO)	108.8845	0.416	6	108.8845	0.173	6	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	H(CC[6a]CO)	110.7450	3.756	2	110.7450	14.109	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CClHH)(CCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CClHH)(CCO)(H)	H(CC[6a]CO)	106.5690	0.000	1	106.5690	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CF3)(CCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CF3)(CCO)(H)	H(CC[6a]CO)	108.9350	0.000	1	108.9350	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCH)(H)	H(CC[6a]CO)	108.6324	0.193	5	108.6324	0.037	5	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCN)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCN)(H)	H(CC[6a]CO)	108.7250	0.000	1	108.7250	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(H)	H(CC[6a]CO)	107.8450	0.321	4	107.8450	0.103	4	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	H(CC[6a]CO)	107.3015	0.530	2	107.3015	0.281	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)(COO)(H)	H(CC[6a]CO)	109.3980	0.000	1	109.3980	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHP)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHP)(COO)(H)	H(CC[6a]CO)	109.0840	0.000	1	109.0840	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	H(CC[6a]CO)	108.5175	0.241	2	108.5175	0.058	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CC[6a]CO)	107.9210	0.000	1	107.9210	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CCC)(H)	H(CC[6a]CO)	109.2455	0.100	2	109.2455	0.010	2	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)(CNO)(H)	H(CC[6a]CO)	109.6970	0.000	1	109.6970	0.000	1	108.5138	1.491	51	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CC3)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CC3)(NCH)(H)	H(CC[6a]CO)	109.5620	0.000	1	109.5620	0.000	1	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	H(CC[6a]CO)	109.0734	0.387	10	109.0734	0.150	10	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	H(CC[6a]CO)	107.6960	0.000	1	107.6960	0.000	1	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	H(CC[6a]CO)	108.5463	0.162	4	108.5463	0.026	4	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	H(CC[6a]CO)	109.5990	0.199	3	109.5990	0.040	3	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	H(CC[6a]CO)	108.6400	0.362	2	108.6400	0.131	2	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCC)(H)	H(CC[6a]CO)	108.2256	0.936	9	108.2256	0.876	9	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCH)(H)	H(CC[6a]CO)	107.3463	1.468	7	107.3463	2.156	7	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	H(CC[6a]CO)	107.9627	0.945	4	107.9627	0.893	4	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCS)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NCS)(H)	H(CC[6a]CO)	106.8060	0.000	1	106.8060	0.000	1	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NOO)(H)	H(CC[6a]CO)	109.3440	0.000	1	109.3440	0.000	1	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCH)(H)	H(CC[6a]CO)	108.0610	0.000	1	108.0610	0.000	1	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NHH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NHH)(H)	H(CC[6a]CO)	108.4150	0.000	1	108.4150	0.000	1	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C(CC[6a]HO)(CH3)(NCP)(H)	H(CC[6a]CO)	108.2650	0.000	1	108.2650	0.000	1	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	H(CC[6a]CO)	107.6250	0.735	2	107.6250	0.541	2	108.3687	1.047	48	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(CNO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(CNO)(H)	H(CC[6a]CO)	108.9730	0.000	1	108.9730	0.000	1	109.3350	11.161	3	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NH3)(COO)(H)	H(CC[6a]CO)	109.5160	4.704	2	109.5160	22.125	2	109.3350	11.161	3	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC3)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC3)(CCH)(H)	H(CC[6a]CO)	108.6595	0.066	2	108.6595	0.004	2	108.6595	0.004	2	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	H(CC[6a]CO)	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	H(CC[6a]CO)	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(SC)(H)	C(CC[6a]HS)(CH3)(CCO)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCCH)(SC)(H)	C(CC[6a]HS)(CH3)(CCO)(H)	H(CC[6a]CS)	108.1860	0.174	2	108.1860	0.030	2	108.1860	0.030	2	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CC[6a]HS)(CH3)(NCS)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CC[6a]HS)(CH3)(NCS)(H)	H(CC[6a]CS)	107.9860	0.000	1	107.9860	0.000	1	108.2725	0.164	2	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CC[6a]HS)(CH3)(NOO)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CC[6a]HS)(CH3)(NOO)(H)	H(CC[6a]CS)	108.5590	0.000	1	108.5590	0.000	1	108.2725	0.164	2	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:1:	4:	N-3:C-4:C-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NC[6a]C)(CCCH)(CN)(H)	C(CCHN)(CH3)(CCH)(H)	H(CCCN)	C(NC[6a]C)(CCCH)(CN)(H)	C(CCHN)(CH3)(CCH)(H)	H(CCCN)	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	108.4228	1.295	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CH3)(COS)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CH3)(COS)(OH)	H(CC[6a]CO)	108.4540	0.000	1	108.4540	0.000	1	108.3183	1.248	6	108.3183	1.248	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	H(CC[6a]CO)	109.3950	0.170	2	109.3950	0.029	2	108.3183	1.248	6	108.3183	1.248	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	H(CC[6a]CO)	106.3650	0.000	1	106.3650	0.000	1	108.3183	1.248	6	108.3183	1.248	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HO)(CCHH)(CCH)(OH)	H(CC[6a]CO)	108.1505	0.049	2	108.1505	0.002	2	108.3183	1.248	6	108.3183	1.248	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(COO)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(COO)2	H(CC[6a]CO)	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	107.0815	4.185	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:3:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(NCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CC[6a]HO)(CH3)(CCO)(NCH)	H(CC[6a]CO)	105.6350	0.000	1	105.6350	0.000	1	105.6350	0.000	1	107.0815	4.185	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	110.2555	0.281	2	110.2555	0.079	2	110.2555	0.079	2	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[5a]CN)	106.2660	0.000	1	106.2660	0.000	1	106.2660	0.000	1	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)2(H)	H(CC[5a]CO)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C(CC[5a]HO)(CCHH)2(H)	H(CC[5a]CO)	107.9660	0.000	1	107.9660	0.000	1	107.9660	0.000	1	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CC[6]HO)(NCHH)(CH3)(H)	H(CC[6]CO)	108.9050	1.464	2	108.9050	2.142	2	108.9050	2.142	2	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CC[6a]HO)(CHHN)(CH3)(Br)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CC[6a]HO)(CHHN)(CH3)(Br)	H(CC[6a]CO)	108.5110	0.100	2	108.5110	0.010	2	108.5110	0.010	2	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	108.0980	0.000	1	108.0980	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	H(CC[6a]CO)	108.1090	0.000	1	108.1090	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CC[6a]CO)	108.7190	0.826	2	108.7190	0.682	2	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	H(CC[6a]CO)	106.6115	0.303	2	106.6115	0.092	2	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CC[6a]CO)	109.2750	0.000	1	109.2750	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CC[6a]CO)	109.1990	0.000	1	109.1990	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	H(CC[6a]CO)	108.6670	0.000	1	108.6670	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	H(CC[6a]CO)	108.7050	0.000	1	108.7050	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	H(CC[6a]CO)	107.3750	0.000	1	107.3750	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	H(CC[6a]CO)	107.8130	0.000	1	107.8130	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CC[6a]CO)	108.7190	0.000	1	108.7190	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)2(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHH)2(H)	H(CC[6a]CO)	107.4920	0.000	1	107.4920	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CC[6a]CO)	111.8830	0.000	1	111.8830	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	108.8530	0.000	1	108.8530	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHN)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CHHN)(CH3)(H)	H(CC[6a]CO)	108.4170	0.000	1	108.4170	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	H(CC[6a]CO)	108.6920	0.000	1	108.6920	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	H(CC[6a]CO)	107.9270	0.000	1	107.9270	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)2(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)2(CH3)(H)	H(CC[6a]CO)	107.4355	0.235	2	107.4355	0.055	2	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	H(CC[6a]CO)	109.0910	0.000	1	109.0910	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	108.8930	0.000	1	108.8930	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	107.9800	0.000	1	107.9800	0.000	1	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C(CC[6a]HO)(CH3)2(H)	H(CC[6a]CO)	107.3963	0.859	3	107.3963	0.738	3	108.2559	1.186	27	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NC3)(H)	H(CC[6a]CO)	108.4860	0.117	2	108.4860	0.014	2	108.7410	0.671	9	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CH3)(NH3)(H)	H(CC[6a]CO)	107.6750	0.000	1	107.6750	0.000	1	108.7410	0.671	9	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	H(CC[6a]CO)	109.0037	0.857	6	109.0037	0.734	6	108.7410	0.671	9	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	H(CC[6a]CO)	107.8557	1.583	3	107.8557	2.505	3	107.8557	2.505	3	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	H(CC[6a]CO)	108.6686	0.256	40	108.6686	0.066	40	108.3362	1.398	82	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCHH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NCHH)(CH3)(H)	H(CC[6a]CO)	108.0638	1.610	39	108.0638	2.591	39	108.3362	1.398	82	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NPdHH)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CC[6a]HO)(NPdHH)(CH3)(H)	H(CC[6a]CO)	108.0385	0.627	2	108.0385	0.393	2	108.3362	1.398	82	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	C(CC[6a]HO)(NMoCC)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	C(CC[6a]HO)(NMoCC)(CH3)(H)	H(CC[6a]CO)	106.2590	0.000	1	106.2590	0.000	1	108.3362	1.398	82	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	H(CC[6a]CO)	106.8520	0.000	1	106.8520	0.000	1	108.2115	0.929	4	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	H(CC[6a]CO)	108.6647	0.402	3	108.6647	0.162	3	108.2115	0.929	4	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	H(CC[6a]CO)	108.6835	0.185	4	108.6835	0.034	4	108.6835	0.034	4	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-2:H-1:	N[5]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	H(CC[6a]CO)	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C-4:S-2:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(SC)(H)	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	H(CC[6a]CS)	106.4600	0.626	2	106.4600	0.392	2	106.4600	0.392	2	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:1:	4:	N[6]-3:C-4:C-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CN[6]CH)(CH3)2(H)	H(CN[6]CC)	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CN[6]CH)(CH3)2(H)	H(CN[6]CC)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.3387	1.296	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CN)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CN)	H(CC[6a]CO)	107.9080	0.000	1	107.9080	0.000	1	107.9835	0.011	2	107.7429	1.793	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CC)	H(CC[6a]CO)	108.0590	0.000	1	108.0590	0.000	1	107.9835	0.011	2	107.7429	1.793	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CC[6a]CO)	106.4660	0.250	3	106.4660	0.063	3	107.6466	2.646	5	107.7429	1.793	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:2:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	H(CC[6a]CO)	109.4175	0.083	2	109.4175	0.007	2	107.6466	2.646	5	107.7429	1.793	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C(CC[5a]HO)(CH3)2(CCS)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C(CC[5a]HO)(CH3)2(CCS)	H(CC[5a]CO)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CC[5a]HO)(CF3)(CH3)(NHO)	H(CC[5a]CO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CC[5a]HO)(CF3)(CH3)(NHO)	H(CC[5a]CO)	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCC)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCC)	H(CC[6a]CO)	109.3640	0.000	1	109.3640	0.000	1	108.0967	1.152	9	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCH)	H(CC[6a]CO)	108.9800	0.000	1	108.9800	0.000	1	108.0967	1.152	9	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CH3)2(CCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]HO)(CH3)2(CCH)	H(CC[6a]CO)	108.9035	0.162	2	108.9035	0.026	2	108.0967	1.152	9	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCS)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CCHH)(CH3)(CCS)	H(CC[6a]CO)	107.0190	0.000	2	107.0190	0.000	2	108.0967	1.152	9	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CCO)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)2(CCO)	H(CC[6a]CO)	108.0900	0.000	1	108.0900	0.000	1	108.0967	1.152	9	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CHHS)(CH3)(CCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CHHS)(CH3)(CCH)	H(CC[6a]CO)	106.3230	0.000	1	106.3230	0.000	1	108.0967	1.152	9	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	H(CC[6a]CO)	108.2680	0.000	1	108.2680	0.000	1	108.0967	1.152	9	108.1963	0.974	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C-3:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5]O)(CC3)(NN)(H)	C(CCHH)3(CCHN)	H(CCCN)	C(CN[5]O)(CC3)(NN)(H)	C(CCHH)3(CCHN)	H(CCCN)	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	107.2593	0.249	6	107.2593	0.062	6	107.1509	0.092	8	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5a]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5a]C)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	106.8255	0.226	2	106.8255	0.051	2	107.1509	0.092	8	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC[5]HO)(CH3)3	H(CC[5]CO)	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC[5]HO)(CH3)3	H(CC[5]CO)	108.2625	0.135	2	108.2625	0.018	2	108.1683	0.036	3	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]N[5]O[5])(CC3)(OP)(H)	C(CC[5]HO)(CH3)3	H(CC[5]CO)	C(C[5]N[5]O[5])(CC3)(OP)(H)	C(CC[5]HO)(CH3)3	H(CC[5]CO)	107.9800	0.000	1	107.9800	0.000	1	108.1683	0.036	3	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(CC)(H)	C(CC[6a]CH)(CH3)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CC)(H)	C(CC[6a]CH)(CH3)3	H(CC[6a]CC)	106.3853	0.168	3	106.3853	0.028	3	106.3853	0.028	3	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC[6a]HN)(CH3)3	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC[6a]HN)(CH3)3	H(CC[6a]CN)	106.8570	0.000	1	106.8570	0.000	1	106.8570	0.000	1	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	108.4390	0.000	1	108.4390	0.000	1	107.4735	0.636	11	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	108.1180	0.000	1	108.1180	0.000	1	107.4735	0.636	11	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]CC)(CC[6a]HO)(CH3)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]CC)(CC[6a]HO)(CH3)2	H(CC[6a]CO)	108.4950	0.000	1	108.4950	0.000	1	107.4735	0.636	11	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CC[6a]CO)	107.3140	0.566	2	107.3140	0.320	2	107.4735	0.636	11	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	107.2365	0.463	2	107.2365	0.215	2	107.4735	0.636	11	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CC[6a]HO)(CCHH)(CH3)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CC[6a]HO)(CCHH)(CH3)2	H(CC[6a]CO)	107.0240	1.102	3	107.0240	1.213	3	107.4735	0.636	11	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:4:4:4:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]N[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	C(C[6a]N[6a]2)(CC3)(OH)(H)	C(CC[6a]HO)(CH3)3	H(CC[6a]CO)	106.9830	0.000	1	106.9830	0.000	1	107.4735	0.636	11	107.3203	0.491	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:2:1:	4:6:3:1:	4:	C[6a]-3:C-4:O-2:H-1:	C-4:S-6:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SF5)(COO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CC[6a]HO)(SF5)(COO)(H)	H(CC[6a]CO)	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	2:4:1:1:	4:	C-3:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	C(CN[5]O)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	2:4:2:1:	4:	C-3:C-4:C-3:H-1:	O-2:C-4:O-2:H-1:	C-4:	C(CC[5a]C)(CHOO)(COO)(H)	C(OC[6a])(CCCH)(OC)(H)	H(CC3)	C(CC[5a]C)(CHOO)(COO)(H)	C(OC[6a])(CCCH)(OC)(H)	H(CC3)	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6,6]-3:C-4:N-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	H(CC[6,6]CN)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C(N[5]C[5]N[5])2(CC[6,6]HN)(H)	H(CC[6,6]CN)	108.5180	0.255	2	108.5180	0.065	2	108.5180	0.065	2	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6,6]-3:C-4:O-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	H(CC[6,6]CO)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	C(N[5]C[5]N[5])2(CC[6,6]HO)(H)	H(CC[6,6]CO)	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6]-3:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	H(CC[6]CN)	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]Ni)(CC[6]HN)(H)	H(CC[6]CN)	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	104.6510	0.018	2	104.6510	0.000	2	106.2147	7.335	3	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]H)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	109.3420	0.000	1	109.3420	0.000	1	106.2147	7.335	3	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	H(CC[6a]CN)	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]2H)(NCH)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HN)(H)	H(CC[6a]CN)	108.1980	0.000	1	108.1980	0.000	1	108.1980	0.000	1	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	C[6a]-3:C-4:O-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[5]2H)(OZn2)(H)	C(N[5]C[5]N[5])2(CC[6a]HO)(H)	H(CC[6a]CO)	107.3090	0.192	2	107.3090	0.037	2	107.3090	0.037	2	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	H(CN[5]CC)	108.6960	0.000	1	108.6960	0.000	1	108.6200	0.012	2	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CC[6a]C[5]H)(COO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CN[5]CH)(H)	H(CN[5]CC)	108.5440	0.000	1	108.5440	0.000	1	108.6200	0.012	2	108.0168	4.293	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:2:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]2O)(SC[6a]O)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(OH)	H(CC[6a]CS)	106.3590	0.000	1	106.3590	0.000	1	106.3590	0.000	1	106.5435	0.068	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:3:4:2:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2S)(SC[6a]Pt)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(SPt)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]2S)(SC[6a]Pt)(H)	C(C[6a]C[6a]2)2(CC[6a]HS)(SPt)	H(CC[6a]CS)	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	106.5435	0.068	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C-3:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CCO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CCO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CC[5a]CH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CC[5a]CH)(H)2	H(CC[5a]CC)	105.9145	0.179	2	105.9145	0.032	2	105.9145	0.032	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[5a]CC)	108.2663	0.445	3	108.2663	0.198	3	108.4835	0.321	4	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5]O)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[5a]CC)	109.1350	0.000	1	109.1350	0.000	1	108.4835	0.321	4	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[5a]CN)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[5a]CN)	108.5610	0.000	1	108.5610	0.000	1	108.7743	0.397	27	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[5a]CN)	C(C[5a]N[5a]O[5a])(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[5a]CN)	108.0520	0.190	2	108.0520	0.036	2	108.7743	0.397	27	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[5a]CN)	C(C[5a]N[5a]S[5a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5a]HN)(H)2	H(CC[5a]CN)	108.8433	0.629	24	108.8433	0.395	24	108.7743	0.397	27	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	105.2440	0.000	1	105.2440	0.000	1	105.2440	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.8795	0.774	2	107.8795	0.600	2	107.8884	0.177	5	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	108.0160	0.140	2	108.0160	0.020	2	107.8884	0.177	5	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.6510	0.000	1	107.6510	0.000	1	107.8884	0.177	5	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCC)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCC)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	107.2630	0.000	1	107.2630	0.000	1	107.3230	0.008	3	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	107.3530	0.102	2	107.3530	0.010	2	107.3230	0.008	3	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]HH)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CC[6a]CC)	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	H(CC[6a]CC)	109.2745	0.711	2	109.2745	0.505	2	109.2745	0.505	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]CH)(H)2	H(CC[6a]CC)	107.4850	0.000	1	107.4850	0.000	1	107.4931	1.623	9	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	105.4260	0.000	1	105.4260	0.000	1	107.4931	1.623	9	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	108.4540	0.000	1	108.4540	0.000	1	107.4931	1.623	9	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.6788	1.231	6	107.6788	1.516	6	107.4931	1.623	9	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.3830	0.000	1	107.3830	0.000	1	107.2765	0.023	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	C(N[5]C[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]HH)(COO)(H)	C(N[5]C[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.1700	0.000	1	107.1700	0.000	1	107.2765	0.023	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(CCC)(H)	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]HH)(CCC)(H)	C(N[5a]N[5a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C(C[5]C[5]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5]HH)(NHS)(H)	C(C[5]C[5]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]HH)(NHS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	H(CC[6a]CN)	108.3395	0.401	2	108.3395	0.161	2	108.3395	0.161	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.3160	2.158	2	107.3160	4.657	2	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	108.1252	1.097	5	108.1252	1.204	5	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	106.2620	0.000	1	106.2620	0.000	1	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	109.4430	0.000	1	109.4430	0.000	1	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.8140	0.000	1	107.8140	0.000	1	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NPdC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NPdC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.8800	0.000	1	107.8800	0.000	1	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	H(CC[6a]CN)	106.5700	0.000	1	106.5700	0.000	1	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	108.7600	0.000	1	108.7600	0.000	1	107.8452	1.496	13	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN[5a]HH)(NC[6a]S)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	H(CC[6a]CN)	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	C[6a]-3:C-4:O-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6]HH)(ORu2)(H)	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	H(CC[6a]CO)	108.3660	0.240	2	108.3660	0.058	2	108.3660	0.058	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N-3:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CHHN)(CCC)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CHHN)(CCC)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	106.4180	0.000	1	106.4180	0.000	1	106.4180	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[5]CH)(H)2	H(CN[5]CC)	106.2380	0.000	1	106.2380	0.000	1	106.2380	0.000	1	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(F)(H)	H(CN[5]CC)	106.3880	0.160	2	106.3880	0.026	2	106.3880	0.026	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	109.0200	0.000	1	109.0200	0.000	1	106.9536	0.589	20	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	106.8449	0.610	19	106.8449	0.372	19	106.9536	0.589	20	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CN[5]HH)(CCH)(H)	C(N[5]C[5]2)(CN[5]CH)(H)2	H(CN[5]CC)	106.4443	0.213	6	106.4443	0.046	6	106.4443	0.046	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[5a]CH)(H)2	H(CN[5a]CC)	108.2800	0.768	2	108.2800	0.590	2	108.2800	0.590	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CC[6a]HH)(CC[5a]O)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	109.1880	0.000	1	109.1880	0.000	1	108.6035	4.603	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	106.8760	0.416	2	106.8760	0.173	2	108.6035	4.603	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	112.4490	0.000	1	112.4490	0.000	1	108.6035	4.603	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	108.9120	0.000	1	108.9120	0.000	1	108.6035	4.603	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	107.3200	0.000	1	107.3200	0.000	1	108.6035	4.603	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CC[6a]O)(H)	C(N[5a]C[5a,6a]N[5a])(CN[5a]CH)(H)2	H(CN[5a]CC)	108.9575	0.043	2	108.9575	0.002	2	108.9575	0.002	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	H(CN[6]CC)	106.5105	1.551	17	106.5105	2.406	17	106.5105	2.406	17	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	H(CN[6]CC)	107.6230	0.000	1	107.6230	0.000	1	106.6595	0.617	4	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	H(CN[6]CC)	106.9330	0.000	1	106.9330	0.000	1	106.6595	0.617	4	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	H(CN[6]CC)	106.0410	0.287	2	106.0410	0.082	2	106.6595	0.617	4	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	107.7053	0.331	3	107.7053	0.109	3	107.7647	0.431	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	107.2610	0.107	2	107.2610	0.012	2	107.7647	0.431	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	108.9500	0.000	1	108.9500	0.000	1	107.7647	0.431	6	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	H(CN[6a]CC)	106.8990	0.129	2	106.8990	0.017	2	106.8990	0.017	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:1:1:	4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	H(CN[6a]CC)	107.0940	0.051	2	107.0940	0.003	2	107.0940	0.003	2	107.6132	1.668	148	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C-3:C-4:C-3:H-1:	N-3:C-4:O-2:H-1:	C-4:	C(CC[6a]C)(CHNO)(COO)(H)	C(NC[6a]S)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]C)(CHNO)(COO)(H)	C(NC[6a]S)(CCCH)(OC)(H)	H(CC3)	105.8070	0.000	1	105.8070	0.000	1	105.8070	0.000	1	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)(H)	C(C[5]C[5]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HO)(CCH)(H)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	107.9900	0.331	2	107.9900	0.110	2	107.9900	0.110	2	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	H(CC[6a]CC)	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	H(CC[6a]CC)	105.6250	0.000	1	105.6250	0.000	1	108.3173	6.329	3	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	H(CC[6a]CC)	108.7190	0.000	1	108.7190	0.000	1	108.3173	6.329	3	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	H(CC[6a]CC)	110.6080	0.000	1	110.6080	0.000	1	108.3173	6.329	3	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	107.5027	0.279	3	107.5027	0.078	3	107.8885	0.419	8	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	108.3100	0.000	2	108.3100	0.000	2	107.8885	0.419	8	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	109.0420	0.000	1	109.0420	0.000	1	107.8885	0.419	8	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	107.8510	0.000	1	107.8510	0.000	1	107.8885	0.419	8	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	107.0870	0.000	1	107.0870	0.000	1	107.8885	0.419	8	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	107.3760	0.464	2	107.3760	0.215	2	107.5320	0.338	7	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	107.9650	0.000	1	107.9650	0.000	1	107.5320	0.338	7	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	108.3380	0.000	1	108.3380	0.000	1	107.5320	0.338	7	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	H(CC[6a]CN)	106.9030	0.165	2	106.9030	0.027	2	107.5320	0.338	7	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	H(CC[6a]CN)	107.8630	0.000	1	107.8630	0.000	1	107.5320	0.338	7	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	106.6070	0.000	1	106.6070	0.000	1	107.2505	1.498	11	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	106.9390	0.175	2	106.9390	0.031	2	107.2505	1.498	11	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	107.9735	0.025	2	107.9735	0.001	2	107.2505	1.498	11	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OFe)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OFe)(H)	H(CC[6a]CN)	108.5850	0.000	1	108.5850	0.000	1	107.2505	1.498	11	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	108.0995	0.971	2	108.0995	0.943	2	107.2505	1.498	11	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	108.1220	0.000	1	108.1220	0.000	1	107.2505	1.498	11	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	105.2085	0.172	2	105.2085	0.030	2	107.2505	1.498	11	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OC)(H)	H(CC[6a]CO)	109.2020	0.000	1	109.2020	0.000	1	109.2020	0.000	1	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OFe)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OFe)(H)	H(CC[6a]CS)	106.0990	0.000	1	106.0990	0.000	1	106.9700	1.517	2	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	C[6a]-3:C-4:S-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	H(CC[6a]CS)	107.8410	0.000	1	107.8410	0.000	1	106.9700	1.517	2	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	N-3:C-4:C-3:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CCHO)(COO)(H)	C(CC[6a]O)(CCHN)(OH)(H)	H(CCCN)	C(NC[6a]H)(CCHO)(COO)(H)	C(CC[6a]O)(CCHN)(OH)(H)	H(CCCN)	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC[6a])(H)	H(CN[5]CC)	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	107.6496	1.221	39	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:2:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]OO)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)2	H(CC[6a]CN)	104.2960	0.000	1	104.2960	0.000	1	104.2960	0.000	1	104.2960	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:3:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:S-2:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(CNO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CS)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(CNO)	H(CC[6a]CC)	106.3730	0.000	1	106.3730	0.000	1	106.6255	0.128	2	107.1393	0.856	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:3:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:S-2:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(COO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CS)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(COO)	H(CC[6a]CC)	106.8780	0.000	1	106.8780	0.000	1	106.6255	0.128	2	107.1393	0.856	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:2:3:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(SC[6a])(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CS)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(SC[6a])(COO)	H(CC[6a]CN)	108.1670	0.000	1	108.1670	0.000	1	108.1670	0.000	1	107.1393	0.856	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C-3:C-4:C-3:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(COO)(H)	C(CC[6a]O)(CCCH)(COO)(H)	H(CC3)	C(CC[6a]O)(CCCH)(COO)(H)	C(CC[6a]O)(CCCH)(COO)(H)	H(CC3)	108.1865	2.454	8	108.1865	6.021	8	108.1865	6.021	8	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[5]-3:C-4:C[6a]-3:H-1:	C[5]-3:C-4:C[6a]-3:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5,6a]C[5])(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	106.8675	0.721	4	106.8675	0.520	4	106.8675	0.520	4	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(CCH)(H)	H(CC[5a]CC)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(CCH)(H)	H(CC[5a]CC)	108.8765	0.275	2	108.8765	0.076	2	108.8765	0.076	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[5a]-3:C-4:C[6a]-3:H-1:	C[5a]-3:C-4:C[6a]-3:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	H(CC[5a]C[6a]C)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)	H(CC[5a]C[6a]C)	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6,6]-3:C-4:N-3:H-1:	C[6,6]-3:C-4:N-3:H-1:	C-4:	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	H(CC[6,6]CN)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	H(CC[6,6]CN)	109.6465	0.303	2	109.6465	0.092	2	109.6465	0.092	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C-4:N-3:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	H(CC[6]CN)	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	H(CC[6]CN)	109.0063	0.869	3	109.0063	0.755	3	109.0063	0.755	3	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:C-3:F-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CF)(CCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(COO)(F)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CF)(CCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(COO)(F)	H(CC[6a]CC)	107.4335	0.551	2	107.4335	0.303	2	107.4335	0.303	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(CCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CH)(CCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	107.7150	0.643	2	107.7150	0.414	2	107.7150	0.414	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	H(CC[6a]CC)	106.5895	0.152	2	106.5895	0.023	2	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	H(CC[6a]CC)	107.5250	0.000	1	107.5250	0.000	1	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	H(CC[6a]CC)	106.3445	0.094	2	106.3445	0.009	2	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)(H)	H(CC[6a]CC)	107.0280	0.000	1	107.0280	0.000	1	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	H(CC[6a]CC)	108.2800	0.000	1	108.2800	0.000	1	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)(H)	H(CC[6a]CC)	108.6143	0.758	3	108.6143	0.575	3	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCC)(H)	H(CC[6a]CC)	108.4940	0.000	1	108.4940	0.000	1	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	H(CC[6a]CC)	108.2695	0.489	6	108.2695	0.239	6	107.8032	0.890	17	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	106.6570	0.091	2	106.6570	0.008	2	107.0847	3.784	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	107.6870	0.524	4	107.6870	0.274	4	107.0847	3.784	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	101.9670	0.000	1	101.9670	0.000	1	107.0847	3.784	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	H(CC[6a]CC)	107.4770	0.000	1	107.4770	0.000	1	107.0847	3.784	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	108.8070	0.000	1	108.8070	0.000	1	107.0847	3.784	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	H(CC[6a]CC)	108.5340	0.000	1	108.5340	0.000	1	107.0847	3.784	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	108.5867	0.116	3	108.5867	0.013	3	108.5867	0.013	3	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	106.9730	0.000	1	106.9730	0.000	1	108.1919	2.060	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	107.6930	0.000	1	107.6930	0.000	1	108.1919	2.060	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCF)(H)	H(CC[6a]CN)	108.1580	0.188	2	108.1580	0.035	2	108.1919	2.060	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	H(CC[6a]CN)	107.8155	1.052	4	107.8155	1.107	4	108.1919	2.060	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	H(CC[6a]CN)	111.7700	0.000	1	111.7700	0.000	1	108.1919	2.060	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	107.9050	0.000	1	107.9050	0.000	1	108.1919	2.060	10	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]FN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOO)(F)	H(CC[6a]CN)	108.0230	0.106	2	108.0230	0.011	2	108.0230	0.011	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCC)(H)	H(CC[6a]CN)	106.0625	0.028	2	106.0625	0.001	2	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	H(CC[6a]CN)	107.1962	2.383	31	107.1962	5.677	31	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	H(CC[6a]CN)	106.6780	1.833	3	106.6780	3.361	3	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	H(CC[6a]CN)	109.0220	0.000	1	109.0220	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	106.0080	0.000	1	106.0080	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	H(CC[6a]CN)	108.2850	0.868	4	108.2850	0.754	4	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	107.8560	0.000	1	107.8560	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(H)	H(CC[6a]CN)	108.1430	0.000	1	108.1430	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	107.7667	0.481	3	107.7667	0.232	3	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	H(CC[6a]CN)	106.9190	0.000	1	106.9190	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCoC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoC)(H)	H(CC[6a]CN)	105.8662	1.660	4	105.8662	2.757	4	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCuC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuC)(H)	H(CC[6a]CN)	109.5055	0.588	4	109.5055	0.346	4	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]Fe)(H)	H(CC[6a]CN)	107.3400	0.000	1	107.3400	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	107.1345	0.514	20	107.1345	0.264	20	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	H(CC[6a]CN)	107.7925	0.774	2	107.7925	0.600	2	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	108.5410	0.000	1	108.5410	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	H(CC[6a]CN)	106.1910	0.000	1	106.1910	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	H(CC[6a]CN)	107.3700	0.000	1	107.3700	0.000	1	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	H(CC[6a]CN)	106.8375	6.957	2	106.8375	48.403	2	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NMnC)(H)	H(CC[6a]CN)	107.0048	0.996	8	107.0048	0.993	8	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NNiC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiC)(H)	H(CC[6a]CN)	107.8133	1.099	13	107.8133	1.208	13	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NOsC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsC)(H)	H(CC[6a]CN)	112.4785	0.904	2	112.4785	0.818	2	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NOsH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsS)(H)	H(CC[6a]CN)	108.0390	0.150	2	108.0390	0.022	2	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NOsS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NOsH)(H)	H(CC[6a]CN)	109.1700	0.054	2	109.1700	0.003	2	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NC[6a]Ni)(H)	H(CC[6a]CN)	108.9105	0.077	2	108.9105	0.006	2	107.4984	3.382	113	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OSnC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnH)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnC)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnH)(H)	H(CC[6a]CO)	109.3380	0.000	1	109.3380	0.000	1	109.4670	0.033	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:O-3:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(OSnH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnC)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(OSnC)(H)	H(CC[6a]CO)	109.5960	0.000	1	109.5960	0.000	1	109.4670	0.033	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C-4:P-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	H(CC[6a]CP)	106.8310	0.000	1	106.8310	0.000	1	106.8310	0.000	1	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	N-3:C-4:C-3:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(NC[6a]Al)(CCHN)(CHN)(H)	C(NC[6a]Al)(CCHN)(CHN)(H)	H(CCCN)	C(NC[6a]Al)(CCHN)(CHN)(H)	C(NC[6a]Al)(CCHN)(CHN)(H)	H(CCCN)	109.0530	0.000	1	109.0530	0.000	1	109.0530	0.000	1	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(COO)(H)	H(CN[5]CC)	107.0693	0.196	3	107.0693	0.038	3	107.0693	0.038	3	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:1:	4:	N[5a]-3:C-4:C[6a]-3:H-1:	N[5a]-3:C-4:C[6a]-3:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	H(CC[6a]N[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	C(N[5a]C[5a]N[5a])(CC[6a]N[5a]H)(C[6a]C[6a]2)(H)	H(CC[6a]N[5a]C)	108.2170	1.025	2	108.2170	1.051	2	108.2170	1.051	2	107.6626	2.883	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	H(CC[6a]CC)	106.4715	0.240	2	106.4715	0.057	2	106.7687	0.294	3	106.9520	0.175	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	H(CC[6a]CC)	107.3630	0.000	1	107.3630	0.000	1	106.7687	0.294	3	106.9520	0.175	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:2:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CO)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OC)	H(CC[6a]CN)	107.1577	0.337	3	107.1577	0.114	3	107.0895	0.094	4	106.9520	0.175	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:2:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	H(CC[6a]CN)	106.8850	0.000	1	106.8850	0.000	1	107.0895	0.094	4	106.9520	0.175	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:3:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(NHH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(NHH)	H(CC[6a]CC)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.1182	0.346	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:3:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(NCH)	H(CC[6a]CN)	107.3875	0.646	2	107.3875	0.417	2	107.3875	0.417	2	107.1182	0.346	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:3:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CN)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(COO)	H(CC[6a]CN)	106.3360	0.000	1	106.3360	0.000	1	106.6370	0.181	2	107.1182	0.346	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:3:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CN)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]C)(COO)	H(CC[6a]CN)	106.9380	0.000	1	106.9380	0.000	1	106.6370	0.181	2	107.1182	0.346	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:3:4:	4:	C[6a]-3:C-4:C-3:H-1:	N[6]-3:C-4:C-3:C-4:	C-4:	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	H(CC[6a]CC)	102.1140	0.000	1	102.1140	0.000	1	102.1140	0.000	1	102.1140	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	107.5220	0.000	1	107.5220	0.000	1	107.5220	0.000	1	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	107.5520	0.000	1	107.5520	0.000	1	107.5520	0.000	1	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	107.4720	0.000	1	107.4720	0.000	1	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	H(CC[6a]CC)	108.1010	0.000	1	108.1010	0.000	1	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	107.7110	0.000	1	107.7110	0.000	1	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	108.0095	0.063	2	108.0095	0.004	2	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	108.5270	0.000	1	108.5270	0.000	1	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	107.7190	0.000	1	107.7190	0.000	1	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	109.0300	0.000	1	109.0300	0.000	1	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	109.4003	1.042	3	109.4003	1.085	3	108.4345	0.777	11	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	H(CC[6a]CN)	108.3820	0.000	1	108.3820	0.000	1	108.0750	0.188	2	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	107.7680	0.000	1	107.7680	0.000	1	108.0750	0.188	2	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	108.8690	0.000	1	108.8690	0.000	1	107.8705	0.309	8	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	H(CC[6a]CN)	108.5290	0.000	1	108.5290	0.000	1	107.8705	0.309	8	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	H(CC[6a]CN)	107.6350	0.000	1	107.6350	0.000	1	107.8705	0.309	8	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	107.2970	0.000	1	107.2970	0.000	1	107.8705	0.309	8	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	H(CC[6a]CN)	107.4140	0.000	1	107.4140	0.000	1	107.8705	0.309	8	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	H(CC[6a]CN)	107.8640	0.000	1	107.8640	0.000	1	107.8705	0.309	8	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	107.6780	0.250	2	107.6780	0.063	2	107.8705	0.309	8	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	H(CC[6a]CN)	107.7540	0.000	1	107.7540	0.000	1	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	H(CC[6a]CN)	104.1715	0.156	2	104.1715	0.024	2	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5]Pd)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5]Pd)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdHH)(H)	H(CC[6a]CN)	109.1057	0.617	3	109.1057	0.381	3	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	H(CC[6a]CN)	107.5890	0.406	4	107.5890	0.165	4	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	H(CC[6a]CN)	108.6445	1.575	4	108.6445	2.481	4	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	H(CC[6a]CN)	109.2799	1.511	8	109.2799	2.284	8	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRhS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhCH)(H)	H(CC[6a]CN)	108.3230	0.000	1	108.3230	0.000	1	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCC)(H)	H(CC[6a]CN)	108.3675	0.134	2	108.3675	0.018	2	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCH)(H)	H(CC[6a]CN)	108.2170	0.424	2	108.2170	0.180	2	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	H(CC[6a]CN)	108.5280	0.768	2	108.5280	0.590	2	108.3150	2.576	29	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(NC[6a]FeH)(CC[6a]HN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	C(C[6a]C[6a]2)(NC[6a]FeH)(CC[6a]HN)(H)	H(CC[6a]CN)	107.2375	0.005	2	107.2375	0.000	2	107.2375	0.000	2	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	H(CN[5]CC)	109.1880	0.000	1	109.1880	0.000	1	107.2283	3.294	3	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	H(CN[5]CC)	106.2485	0.910	2	106.2485	0.828	2	107.2283	3.294	3	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:1:	4:	N[5]-3:C-4:O-3:H-1:	N[5]-3:C-4:O-4:H-1:	C-4:	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	H(CN[5]CO)	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	H(CN[5]CO)	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	108.1176	1.686	59	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	H(CC[6a]CC)	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	H(CC[6a]CC)	104.9030	0.000	1	104.9030	0.000	1	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	H(CC[6a]CC)	106.3300	0.000	1	106.3300	0.000	1	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	H(CC[6a]CC)	108.4730	0.000	1	108.4730	0.000	1	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	H(CC[6a]CC)	108.0990	0.000	1	108.0990	0.000	1	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	H(CC[6a]CC)	101.4440	0.000	1	101.4440	0.000	1	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	H(CC[6a]CC)	106.3517	1.248	3	106.3517	1.557	3	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	H(CC[6a]CC)	107.4200	0.034	2	107.4200	0.001	2	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CC[6a]CC)	108.1110	0.000	1	108.1110	0.000	1	106.4777	4.206	11	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:2:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	H(CC[6a]CN)	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	106.5098	3.512	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:3:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	H(CC[6a]CN)	103.6270	0.000	1	103.6270	0.000	1	106.4947	6.184	3	106.4947	6.184	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:3:	4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	H(CC[6a]CN)	107.9285	0.182	2	107.9285	0.033	2	106.4947	6.184	3	106.4947	6.184	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:4:	4:	C[6a]-3:C-4:C-3:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	H(CC[6a]CC)	104.4900	0.000	1	104.4900	0.000	1	104.4900	0.000	1	106.0590	4.924	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	3:4:4:4:	4:	C[6a]-3:C-4:P-3:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	H(CC[6a]CP)	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	106.0590	4.924	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6,6]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,6,6]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.7320	0.000	1	108.7320	0.000	1	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]H)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]H)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	109.1502	0.760	4	109.1502	0.578	4	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]H)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]H)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	107.3470	0.000	2	107.3470	0.000	2	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.9921	1.051	11	108.9921	1.105	11	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]O)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	109.1370	0.000	1	109.1370	0.000	1	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.1970	0.360	3	108.1970	0.130	3	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	108.9590	0.000	1	108.9590	0.000	1	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	109.4920	0.000	1	109.4920	0.000	1	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	108.7145	0.190	2	108.7145	0.036	2	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	109.0790	0.000	1	109.0790	0.000	1	108.8010	0.769	27	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]H)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[5]H)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	110.7410	0.000	1	110.7410	0.000	1	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.1925	1.381	2	108.1925	1.907	2	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C)(CH3)(NSS)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]C)(CH3)(NSS)(H)	C(CCHN)(H)3	H(CCCN)	105.7610	0.000	1	105.7610	0.000	1	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.9053	0.201	3	108.9053	0.040	3	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[4]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[4]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.9890	0.000	1	108.9890	0.000	1	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5]O)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	109.0172	0.933	30	109.0172	0.870	30	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5]O)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	109.8030	0.000	1	109.8030	0.000	1	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]S)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5a]S)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	107.8920	0.000	1	107.8920	0.000	1	108.9201	1.120	40	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	109.4820	0.000	1	109.4820	0.000	1	108.2530	3.021	2	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.0240	0.000	1	107.0240	0.000	1	108.2530	3.021	2	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	108.3005	0.049	2	108.3005	0.002	2	107.3216	2.428	5	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	106.6690	1.805	3	106.6690	3.258	3	107.3216	2.428	5	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	H(CC[5a]CN)	C(C[5a]C[5a,6a]C[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	H(CC[5a]CN)	106.6855	0.473	2	106.6855	0.224	2	106.7173	0.115	3	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]S[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(CF3)(NHS)(H)	C(CC[5a]HN)(F)3	H(CC[5a]CN)	106.7810	0.000	1	106.7810	0.000	1	106.7173	0.115	3	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	108.3255	0.395	2	108.3255	0.156	2	108.2259	0.213	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	107.3635	0.005	2	107.3635	0.000	2	108.2259	0.213	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	108.2270	0.000	1	108.2270	0.000	1	108.2259	0.213	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	C(C[5a]N[5a]2)(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	108.4368	0.225	4	108.4368	0.050	4	108.2259	0.213	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	108.6930	0.102	2	108.6930	0.010	2	108.2259	0.213	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	C(CC[5a]HN)(H)3	H(CC[5a]CN)	108.0995	0.286	2	108.0995	0.082	2	108.2259	0.213	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6]2)(CF3)(COO)(H)	C(CC[6]CH)(F)3	H(CC[6]CC)	C(C[6]C[6]2)(CF3)(COO)(H)	C(CC[6]CH)(F)3	H(CC[6]CC)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.2020	0.820	2	108.2020	0.673	2	108.0330	0.264	4	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(CNO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2)(CH3)(CNO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8640	0.068	2	107.8640	0.005	2	108.0330	0.264	4	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.6380	0.000	2	109.6380	0.000	2	109.1230	0.796	3	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(NHS)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2)(CH3)(NHS)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.0930	0.000	1	108.0930	0.000	1	109.1230	0.796	3	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)(COO)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CF3)(COO)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.9565	0.091	2	108.9565	0.008	2	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(CCC)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCC)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.0455	0.063	2	107.0455	0.004	2	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(CCH)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCH)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.1646	0.217	5	108.1646	0.047	5	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(CCN)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CCN)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.0940	0.000	1	107.0940	0.000	1	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CHH)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.7266	7.096	16	106.7266	50.347	16	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.4515	0.790	48	108.4515	0.624	48	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(COO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)(COO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.1890	1.467	111	108.1890	2.152	111	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.6730	0.441	2	107.6730	0.195	2	108.1152	5.719	187	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:Br-1:Br-1:Br-1:	C-4:	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C(CC[6a]HN)(Br)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBr3)(NCH)(H)	C(CC[6a]HN)(Br)3	H(CC[6a]CN)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C(CC[6a]HN)(Br)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	C(CC[6a]HN)(Br)(H)2	H(CC[6a]CN)	108.2890	0.378	3	108.2890	0.143	3	108.2890	0.143	3	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C(CC[6a]HN)(Cl)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl3)(NCH)(H)	C(CC[6a]HN)(Cl)3	H(CC[6a]CN)	106.0050	0.000	1	106.0050	0.000	1	106.0050	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C(CC[6a]HN)(Cl)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	C(CC[6a]HN)(Cl)(H)2	H(CC[6a]CN)	108.7480	0.000	1	108.7480	0.000	1	107.7940	1.820	2	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClHH)(NPdC)(H)	C(CC[6a]HN)(Cl)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClHH)(NPdC)(H)	C(CC[6a]HN)(Cl)(H)2	H(CC[6a]CN)	106.8400	0.000	1	106.8400	0.000	1	107.7940	1.820	2	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C(CC[6a]HN)(F)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CF3)(NCH)(H)	C(CC[6a]HN)(F)3	H(CC[6a]CN)	105.9770	1.817	2	105.9770	3.302	2	105.9770	3.302	2	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C(CC[6a]HN)(F)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	C(CC[6a]HN)(F)2(H)	H(CC[6a]CN)	105.5360	0.000	1	105.5360	0.000	1	105.5360	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C(CC[6a]HN)(F)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	C(CC[6a]HN)(F)(H)2	H(CC[6a]CN)	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.8411	0.649	21	106.8411	0.422	21	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.8363	0.346	29	107.8363	0.120	29	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.8880	0.000	1	107.8880	0.000	1	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	112.5800	0.000	1	112.5800	0.000	1	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCC)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.4729	1.505	89	106.4729	2.265	89	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.0172	0.780	257	108.0172	0.608	257	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCO)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	105.3540	3.350	8	105.3540	11.220	8	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.1620	1.129	26	106.1620	1.274	26	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCS)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.3970	0.000	1	107.3970	0.000	1	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NCY)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NCY)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.4419	0.707	14	108.4419	0.499	14	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHH)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.8837	0.591	4	107.8837	0.350	4	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.1684	1.055	32	108.1684	1.113	32	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NHS)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.9313	2.433	9	107.9313	5.918	9	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.0062	0.630	5	106.0062	0.397	5	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NSS)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.0030	0.000	1	106.0030	0.000	1	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.7690	0.000	1	108.7690	0.000	1	107.5463	1.798	499	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]H)(CH3)(CHH)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5]H)(CH3)(CHH)(H)	C(CCHN)(H)3	H(CCCN)	102.9340	0.000	1	102.9340	0.000	1	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]H)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5]H)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	108.9800	0.000	1	108.9800	0.000	1	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]C)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]C)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	107.4790	2.233	2	107.4790	4.986	2	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CH3)(CCH)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]H)(CH3)(CCH)(H)	C(CCHN)(H)3	H(CCCN)	108.1120	0.905	2	108.1120	0.819	2	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]H)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	109.8803	0.143	3	109.8803	0.020	3	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCrH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCrH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	108.1530	0.001	2	108.1530	0.000	2	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCuC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	107.7583	0.304	3	107.7583	0.093	3	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiC)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiC)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	108.6875	0.139	2	108.6875	0.019	2	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	110.1037	0.516	3	110.1037	0.266	3	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[4]C)(CH3)(CHH)(H)	C(CCHN)(H)3	H(CCCN)	C(NP[4]C)(CH3)(CHH)(H)	C(CCHN)(H)3	H(CCCN)	109.0900	0.000	1	109.0900	0.000	1	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRuH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NRuH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	105.3195	1.733	2	105.3195	3.004	2	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSnC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NSnC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	109.7010	0.000	1	109.7010	0.000	1	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTcC)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	C(NTcC)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	98.6477	0.000	1	98.6477	0.000	1	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTcC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(NTcC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	111.9750	0.000	1	111.9750	0.000	1	108.0023	7.648	25	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.1555	0.357	2	106.1555	0.128	2	107.4902	1.546	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CH3)(CCH)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CCH)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	105.4950	0.000	1	105.4950	0.000	1	107.4902	1.546	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CH3)(CHH)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CHH)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.4860	1.355	2	108.4860	1.836	2	107.4902	1.546	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(CNO)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.4640	0.568	3	108.4640	0.323	3	107.4902	1.546	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CH3)(COO)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.4406	0.944	5	107.4406	0.890	5	107.4902	1.546	13	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	107.4640	0.000	1	107.4640	0.000	1	108.5686	0.441	7	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	108.7527	0.494	6	108.7527	0.244	6	108.5686	0.441	7	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[6,6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	C(CN[6,6]CH)(H)3	H(CN[6,6]CC)	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	C(CN[6,6]CH)(H)3	H(CN[6,6]CC)	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CH3)(CNO)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CH3)(CNO)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	106.6840	0.000	1	106.6840	0.000	1	106.3697	0.192	3	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CH3)(COO)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CH3)(COO)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	106.2125	0.486	2	106.2125	0.236	2	106.3697	0.192	3	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	N[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CH3)(COO)(H)	C(CN[6a]CH)(H)3	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)(COO)(H)	C(CN[6a]CH)(H)3	H(CN[6a]CC)	106.7345	0.882	2	106.7345	0.778	2	106.7345	0.778	2	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCoH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(OCoH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	107.5190	1.659	2	107.5190	2.752	2	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCuH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(OCuH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	109.0650	0.000	1	109.0650	0.000	1	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMgH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(OMgH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	108.9335	0.131	2	108.9335	0.017	2	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMnH)(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	C(OMnH)(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	110.6335	3.473	2	110.6335	12.059	2	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMnH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(OMnH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	107.4100	0.000	1	107.4100	0.000	1	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONiH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(ONiH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	107.1513	2.386	3	107.1513	5.692	3	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZn2)(CH3)(CCN)(H)	C(CCHO)(H)3	H(CCCO)	C(OZn2)(CH3)(CCN)(H)	C(CCHO)(H)3	H(CCCO)	108.5010	0.000	1	108.5010	0.000	1	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZnH)(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	C(OZnH)(CH3)(CNO)(H)	C(CCHO)(H)3	H(CCCO)	109.7670	0.000	1	109.7670	0.000	1	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZnH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	C(OZnH)(CH3)(COO)(H)	C(CCHO)(H)3	H(CCCO)	108.5140	0.000	1	108.5140	0.000	1	108.4916	3.553	14	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O[4]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(O[4]Ga[4]2)(CH3)(COO)(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	C(O[4]Ga[4]2)(CH3)(COO)(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	108.2815	0.112	2	108.2815	0.013	2	108.0482	0.312	4	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	O[4]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(O[4]In[4]2)(CH3)(COO)(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	C(O[4]In[4]2)(CH3)(COO)(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	107.8150	0.840	2	107.8150	0.706	2	108.0482	0.312	4	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	P-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]C)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]C)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	S-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]O)(CH3)(CNO)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]O)(CH3)(CNO)(H)	C(CCHS)(H)3	H(CCCS)	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:1:1:1:	4:	S-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SFe2)(CH3)(NCH)(H)	C(CHNS)(H)3	H(CCNS)	C(SFe2)(CH3)(NCH)(H)	C(CHNS)(H)3	H(CCNS)	107.3185	0.043	2	107.3185	0.002	2	107.3185	0.002	2	107.8143	2.856	869	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]H)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CC[6]H)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.5180	0.000	2	107.5180	0.000	2	108.2887	1.064	4	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CN[5]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.4210	0.000	1	108.4210	0.000	1	108.2887	1.064	4	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5a]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CN[5a]O)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	109.6980	0.000	1	109.6980	0.000	1	108.2887	1.064	4	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	107.4220	0.000	1	107.4220	0.000	1	107.4770	0.034	3	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SS)(H)2	H(CCCN)	C(CN[5]O)(CHHS)(NCH)(H)	C(CCHN)(SS)(H)2	H(CCCN)	107.5045	0.254	2	107.5045	0.064	2	107.4770	0.034	3	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	107.9840	0.000	1	107.9840	0.000	1	107.8468	0.092	5	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(COO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(COO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	107.8125	0.338	4	107.8125	0.114	4	107.8468	0.092	5	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	C(CC[6a]CH)(SC[6a])(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	C(CC[6a]CH)(SC[6a])(H)2	H(CC[6a]CC)	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CSeHH)(CCC)(H)	C(CC[6a]CH)(SeC[6a])(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSeHH)(CCC)(H)	C(CC[6a]CH)(SeC[6a])(H)2	H(CC[6a]CC)	106.8350	0.000	1	106.8350	0.000	1	106.8350	0.000	1	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NP)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NP)(H)2	H(CC[6a]CN)	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OB)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OB)(H)2	H(CC[6a]CN)	105.8100	0.000	1	105.8100	0.000	1	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	106.0910	0.000	2	106.0910	0.000	2	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	106.5522	0.772	5	106.5522	0.596	5	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OC[3])(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OC[3])(H)2	H(CC[6a]CN)	110.0270	0.000	1	110.0270	0.000	1	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	107.9536	0.715	19	107.9536	0.511	19	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	107.8115	0.424	2	107.8115	0.179	2	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	105.1840	1.497	3	105.1840	2.242	3	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	107.6050	0.593	3	107.6050	0.351	3	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	106.4600	0.000	1	106.4600	0.000	1	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	C(CC[6a]HN)(OC)(H)2	H(CC[6a]CN)	106.8510	0.000	1	106.8510	0.000	1	107.3474	1.500	38	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHO)(CCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(NC[6a]H)(CHHO)(CCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.8783	0.794	3	107.8783	0.630	3	108.1250	0.663	4	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]H)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NC[6a]H)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.8650	0.000	1	108.8650	0.000	1	108.1250	0.663	4	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	106.3735	0.486	2	106.3735	0.236	2	106.6623	0.368	3	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CHHO)(CCH)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	107.2400	0.000	1	107.2400	0.000	1	106.6623	0.368	3	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(COO)(H)	C(CN[5]CH)(SC)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CHHS)(COO)(H)	C(CN[5]CH)(SC)(H)2	H(CN[5]CC)	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:1:1:	4:	N[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	C(CN[6a]CH)(OH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	C(CN[6a]CH)(OH)(H)2	H(CN[6a]CC)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.5165	1.274	62	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-2:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CC[6a])(NN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CC[6a])(NN)(H)	H(CC[6a]CN)	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:S-2:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C(CC[6a]HN)(SC[6a])(CNO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	C(CC[6a]HN)(SC[6a])(CNO)(H)	H(CC[6a]CN)	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-2:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	C(CC[6a]CH)(NC[5])(CF3)(H)	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	C(CC[6a]CH)(NC[5])(CF3)(H)	H(CC[6a]CC)	106.0370	0.000	1	106.0370	0.000	1	106.9670	1.730	2	106.9288	0.623	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CC[6a]CH)(NC[5])(CF3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CC[6a]CH)(NC[5])(CF3)(H)	H(CC[6a]CC)	107.8970	0.000	1	107.8970	0.000	1	106.9670	1.730	2	106.9288	0.623	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C(CC[6a]HN)(SC[6a])(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C(CC[6a]HN)(SC[6a])(CCHH)(H)	H(CC[6a]CN)	106.6330	0.000	1	106.6330	0.000	1	106.6330	0.000	1	106.9288	0.623	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:2:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCHS)(COO)(H)	C(CN[5]CH)(SC[6])(CH3)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHS)(COO)(H)	C(CN[5]CH)(SC[6])(CH3)(H)	H(CN[5]CC)	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	106.9288	0.623	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	B[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCHH)(CCH)(H)	C(CB[5]CH)(CNO)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CCHH)(CCH)(H)	C(CB[5]CH)(CNO)(H)2	H(CB[5]CC)	107.8655	1.068	2	107.8655	1.142	2	107.8655	1.142	2	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(NHS)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	C(CC[6a]O)(CCHH)(NHS)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	109.3017	0.720	27	109.3017	0.518	27	109.3017	0.518	27	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CCH)(H)	C(CC[5a]CH)(CCC)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CCH)(H)	C(CC[5a]CH)(CCC)(H)2	H(CC[5a]CC)	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	C(CC[5a]CH)(NOO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	C(CC[5a]CH)(NOO)(H)2	H(CC[5a]CC)	108.9120	0.000	1	108.9120	0.000	1	105.5953	9.344	3	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	C(CC[5a]CH)(NOO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	C(CC[5a]CH)(NOO)(H)2	H(CC[5a]CC)	103.9370	1.479	2	103.9370	2.188	2	105.5953	9.344	3	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C(CC[5a]HN)(COO)(H)2	H(CC[5a]CN)	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	C(CC[5a]HN)(COO)(H)2	H(CC[5a]CN)	107.4300	0.000	1	107.4300	0.000	1	107.8553	0.176	3	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	C(CC[5a]HN)(CC[5a]O)(H)2	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	C(CC[5a]HN)(CC[5a]O)(H)2	H(CC[5a]CN)	108.0680	0.286	2	108.0680	0.082	2	107.8553	0.176	3	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C(CC[6]HN)(COO)(H)2	H(CC[6]CN)	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C(CC[6]HN)(COO)(H)2	H(CC[6]CN)	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	108.5240	0.479	2	108.5240	0.230	2	108.3727	0.630	11	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	108.5650	0.000	1	108.5650	0.000	1	108.3727	0.630	11	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	109.0410	0.000	1	109.0410	0.000	1	108.3727	0.630	11	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	108.2395	0.917	2	108.2395	0.841	2	108.3727	0.630	11	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	108.5670	0.000	1	108.5670	0.000	1	108.3727	0.630	11	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6]-3:C-4:O-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C(CC[6]HO)(CCO)(H)2	H(CC[6]CO)	108.1000	1.201	4	108.1000	1.443	4	108.3727	0.630	11	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.1650	0.246	2	107.1650	0.061	2	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCC)(H)2	H(CC[6a]CC)	107.5110	0.000	1	107.5110	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	107.4170	0.000	1	107.4170	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CC[6a]C)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CC[6a]C)(H)2	H(CC[6a]CC)	107.2280	0.000	1	107.2280	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	106.5360	0.000	1	106.5360	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	108.0375	0.302	2	108.0375	0.091	2	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C(CC[6a]CH)(CCN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C(CC[6a]CH)(CCN)(H)2	H(CC[6a]CC)	107.1660	0.000	1	107.1660	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	104.1570	0.000	1	104.1570	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.6860	0.000	1	107.6860	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.6382	0.427	4	108.6382	0.183	4	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	108.0430	0.554	2	108.0430	0.307	2	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	107.2310	0.000	1	107.2310	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.2910	0.000	1	108.2910	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	107.0560	0.000	1	107.0560	0.000	1	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.8618	0.610	16	107.8618	0.372	16	107.6975	0.774	36	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	C(CC[6a]CH)(COO)(H)(I)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	C(CC[6a]CH)(COO)(H)(I)	H(CC[6a]CC)	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	107.2150	0.000	1	107.2150	0.000	1	108.0159	0.671	7	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	107.0450	0.000	1	107.0450	0.000	1	108.0159	0.671	7	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	108.5900	0.970	2	108.5900	0.941	2	108.0159	0.671	7	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	107.9460	0.000	1	107.9460	0.000	1	108.0159	0.671	7	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C(CC[6a]CH)(NHN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C(CC[6a]CH)(NHN)(H)2	H(CC[6a]CC)	107.8170	0.000	1	107.8170	0.000	1	108.0159	0.671	7	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(COO)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	108.9080	0.000	1	108.9080	0.000	1	108.0159	0.671	7	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl2C)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)2	H(CC[6a]CN)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CCH)(Cl)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CCH)(Cl)(H)	H(CC[6a]CN)	107.1170	0.000	1	107.1170	0.000	1	107.3633	0.227	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	H(CC[6a]CN)	107.4048	0.594	4	107.4048	0.353	4	107.3633	0.227	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	H(CC[6a]CN)	107.4440	0.000	1	107.4440	0.000	1	107.3633	0.227	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFF)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	H(CC[6a]CN)	108.8110	0.000	1	108.8110	0.000	1	108.8110	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C(CC[6a]HN)(CCH)(F)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	C(CC[6a]HN)(CCH)(F)(H)	H(CC[6a]CN)	106.5360	0.000	1	106.5360	0.000	1	107.3862	1.387	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(CCO)(F)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(CCO)(F)(H)	H(CC[6a]CN)	107.9820	1.345	3	107.9820	1.810	3	107.3862	1.387	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(COO)(F)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	C(CC[6a]HN)(COO)(F)(H)	H(CC[6a]CN)	106.9175	1.043	2	106.9175	1.088	2	107.3862	1.387	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCO)(H)2	H(CC[6a]CN)	108.2140	0.000	1	108.2140	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	106.7225	1.051	2	106.7225	1.106	2	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	107.9057	2.611	3	107.9057	6.818	3	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	108.3315	0.230	2	108.3315	0.053	2	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[5]N)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[5]N)(H)2	H(CC[6a]CN)	106.9270	0.000	1	106.9270	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	108.8787	0.453	8	108.8787	0.205	8	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(H)2	H(CC[6a]CN)	107.6950	0.738	2	107.6950	0.545	2	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	108.8450	1.551	3	108.8450	2.405	3	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	107.5175	0.730	2	107.5175	0.534	2	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C(CC[6a]HN)(CCC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	C(CC[6a]HN)(CCC)(H)2	H(CC[6a]CN)	106.9850	0.098	2	106.9850	0.010	2	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CC[4]H)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CC[4]H)(H)2	H(CC[6a]CN)	105.6230	0.000	1	105.6230	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	109.3050	0.000	1	109.3050	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	106.5690	0.000	1	106.5690	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	109.3540	0.000	1	109.3540	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCF)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCF)(H)2	H(CC[6a]CN)	108.7870	0.000	1	108.7870	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	108.3655	0.872	2	108.3655	0.760	2	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCO)(H)2	H(CC[6a]CN)	107.2695	2.121	2	107.2695	4.497	2	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCS)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCS)(H)2	H(CC[6a]CN)	107.1470	0.000	1	107.1470	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(H)2	H(CC[6a]CN)	108.4580	0.000	1	108.4580	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	H(CC[6a]CN)	106.0810	1.432	3	106.0810	2.051	3	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CNO)(H)2	H(CC[6a]CN)	108.1160	0.000	1	108.1160	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C(CC[6a]HN)(CCS)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	C(CC[6a]HN)(CCS)(H)2	H(CC[6a]CN)	108.3130	0.000	1	108.3130	0.000	1	107.9074	1.760	42	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:Br-1:Br-1:	C-4:	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C(CC[6a]HN)(NOO)(Br)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBr2N)(NCH)(H)	C(CC[6a]HN)(NOO)(Br)2	H(CC[6a]CN)	106.8698	0.263	4	106.8698	0.069	4	106.8698	0.069	4	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NCC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	C(CC[6a]HN)(NCC)(H)2	H(CC[6a]CN)	108.9680	0.000	1	108.9680	0.000	1	108.7058	1.111	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C(CC[6a]HN)(NOO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	C(CC[6a]HN)(NOO)(H)2	H(CC[6a]CN)	109.2530	0.000	1	109.2530	0.000	1	108.7058	1.111	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NC[6a]2)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NC[6a]2)(H)2	H(CC[6a]CN)	107.9320	0.000	1	107.9320	0.000	1	108.7058	1.111	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NOO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NOO)(H)2	H(CC[6a]CN)	110.2770	0.000	1	110.2770	0.000	1	108.7058	1.111	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C(CC[6a]HN)(NHS)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	C(CC[6a]HN)(NHS)(H)2	H(CC[6a]CN)	107.2590	0.000	1	107.2590	0.000	1	108.7058	1.111	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C(CC[6a]HN)(NC[6a]C)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	C(CC[6a]HN)(NC[6a]C)(H)2	H(CC[6a]CN)	108.5460	0.000	1	108.5460	0.000	1	108.7058	1.111	6	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCoC)(H)	C(CC[6a]HN)(OCo2)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCoC)(H)	C(CC[6a]HN)(OCo2)(H)2	H(CC[6a]CN)	108.0157	0.454	21	108.0157	0.207	21	108.0313	0.149	51	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	C(CC[6a]HN)(OFe2)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	C(CC[6a]HN)(OFe2)(H)2	H(CC[6a]CN)	108.0422	0.338	30	108.0422	0.114	30	108.0313	0.149	51	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C(CC[6a]HN)(PC[6a]2)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	C(CC[6a]HN)(PC[6a]2)(H)2	H(CC[6a]CN)	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	Ga-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C(CGaCH)(CCH)(H)2	H(CGaCC)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C(CGaCH)(CCH)(H)2	H(CGaCC)	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6]H)(CHHN)(COO)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(NC[6]H)(CHHN)(COO)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	108.6850	0.000	1	108.6850	0.000	1	108.6850	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	H(CN[5]CC)	106.6340	0.000	1	106.6340	0.000	1	107.6005	0.633	8	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(COO)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(COO)(H)2	H(CN[5]CC)	107.3220	0.000	1	107.3220	0.000	1	107.6005	0.633	8	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CC[6a]O)(H)2	H(CN[5]CC)	106.2490	0.000	1	106.2490	0.000	1	107.6005	0.633	8	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(COO)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(COO)(H)2	H(CN[5]CC)	108.1198	0.249	5	108.1198	0.062	5	107.6005	0.633	8	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHN)(CNO)(H)	C(CN[5]CH)(NCH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CHHN)(CNO)(H)	C(CN[5]CH)(NCH)(H)2	H(CN[5]CC)	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(NCH)(H)	C(CN[5]HN)(CCC)(H)2	H(CN[5]CN)	C(N[5]C[5]2)(CCHH)(NCH)(H)	C(CN[5]HN)(CCC)(H)2	H(CN[5]CN)	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C(CN[5a]CH)(CCO)(H)2	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C(CN[5a]CH)(CCO)(H)2	H(CN[5a]CC)	107.3800	0.444	2	107.3800	0.197	2	107.2667	0.137	3	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	C(CN[5a]CH)(COO)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	C(CN[5a]CH)(COO)(H)2	H(CN[5a]CC)	107.0400	0.000	1	107.0400	0.000	1	107.2667	0.137	3	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCH)(H)2	H(CN[6]CC)	107.7860	0.000	1	107.7860	0.000	1	107.1473	0.560	21	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CNO)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CNO)(H)2	H(CN[6]CC)	106.8873	0.410	14	106.8873	0.168	14	107.1473	0.560	21	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	107.6477	1.110	6	107.6477	1.232	6	107.1473	0.560	21	107.9771	1.246	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	H(CC[6a]CC)	107.4210	0.000	1	107.4210	0.000	1	107.0300	0.155	3	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CNO)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CNO)(OH)(H)	H(CC[6a]CC)	106.8345	0.284	2	106.8345	0.080	2	107.0300	0.155	3	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(COO)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(COO)(NC)(H)	H(CC[6a]CN)	106.9278	0.911	5	106.9278	0.830	5	106.9278	0.830	5	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OC)(H)	H(CC[6a]CN)	106.9140	0.000	1	106.9140	0.000	1	107.7233	0.323	11	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	C(CC[6a]HN)(COO)(OH)(H)	H(CC[6a]CN)	107.8331	0.579	8	107.8331	0.336	8	107.7233	0.323	11	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OC)(H)	H(CC[6a]CN)	107.4320	0.000	1	107.4320	0.000	1	107.7233	0.323	11	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(COO)(OH)(H)	H(CC[6a]CN)	107.9450	0.000	1	107.9450	0.000	1	107.7233	0.323	11	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	H(CC[6a]CN)	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	H(CN[5]CC)	107.2745	0.448	2	107.2745	0.200	2	107.2745	0.200	2	107.4525	0.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:2:2:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-2:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C(CC[6a]HN)(COO)(CN)(OC)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C(CC[6a]HN)(COO)(CN)(OC)	H(CC[6a]CN)	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	H(CCCN)	C(CC[6a]O)(CCCH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	H(CCCN)	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[5]-3:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]2)(CCCH)(COO)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	C(C[5]C[5]2)(CCCH)(COO)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:F-1:	C-4:	C(C[6a]C[6a]2)(CCCF)(CCH)(H)	C(CC[6a]CH)(COO)2(F)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCF)(CCH)(H)	C(CC[6a]CH)(COO)2(F)	H(CC[6a]CC)	107.3620	0.485	3	107.3620	0.236	3	107.3620	0.236	3	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	H(CC[6a]CC)	108.3510	0.000	1	108.3510	0.000	1	108.4022	0.081	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	108.6660	0.000	1	108.6660	0.000	1	108.4022	0.081	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	108.7160	0.000	1	108.7160	0.000	1	108.4022	0.081	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	108.1390	0.120	2	108.1390	0.014	2	108.4022	0.081	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CC[6a]CH)(COO)(NCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CC[6a]CH)(COO)(NCC)(H)	H(CC[6a]CC)	107.3790	0.000	1	107.3790	0.000	1	108.0200	0.116	7	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CNO)(NCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CNO)(NCC)(H)	H(CC[6a]CC)	107.9960	0.236	3	107.9960	0.056	3	108.0200	0.116	7	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CNO)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CNO)(NCH)(H)	H(CC[6a]CC)	108.2520	0.000	1	108.2520	0.000	1	108.0200	0.116	7	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(COO)(NCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(COO)(NCC)(H)	H(CC[6a]CC)	108.2605	0.056	2	108.2605	0.003	2	108.0200	0.116	7	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCO)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCO)2(H)	H(CC[6a]CN)	107.5850	0.000	1	107.5850	0.000	1	107.8302	0.083	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCO)(H)	H(CC[6a]CN)	107.6590	0.076	2	107.6590	0.006	2	107.8302	0.083	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCH)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCH)(COO)(H)	H(CC[6a]CN)	107.9900	0.000	1	107.9900	0.000	1	107.8302	0.083	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(COO)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(COO)2(H)	H(CC[6a]CN)	108.2580	0.000	1	108.2580	0.000	1	107.8302	0.083	5	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NCH)(H)	H(CC[6a]CN)	109.3325	0.375	2	109.3325	0.141	2	107.8165	3.936	4	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(COO)(NOO)(H)	H(CC[6a]CN)	105.1880	0.000	1	105.1880	0.000	1	107.8165	3.936	4	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	H(CC[6a]CN)	107.4130	0.000	1	107.4130	0.000	1	107.8165	3.936	4	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(NNiC)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(NNiC)(COO)(H)	H(CC[6a]CN)	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	107.9271	0.740	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:2:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CC[6a]CH)(CCH)(COO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CC[6a]CH)(CCH)(COO)(OH)	H(CC[6a]CC)	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	106.0090	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:3:3:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CCC)(COO)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CCC)(COO)2	H(CC[6a]CC)	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	H(CC[5a]CC)	106.9935	0.306	2	106.9935	0.094	2	106.9935	0.094	2	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[5]H)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[5]H)(CH3)(H)	H(CC[6a]CC)	105.6120	0.000	1	105.6120	0.000	1	105.6410	0.002	2	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	H(CC[6a]CC)	105.6700	0.000	1	105.6700	0.000	1	105.6410	0.002	2	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CC[6a]CH)(NC[5]H)(CF3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CC[6a]CH)(NC[5]H)(CF3)(H)	H(CC[6a]CC)	106.7190	0.000	1	106.7190	0.000	1	107.2110	0.484	2	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	H(CC[6a]CC)	107.7030	0.000	1	107.7030	0.000	1	107.2110	0.484	2	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:F-1:	C-4:	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(F)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(F)	H(CC[6a]CN)	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	H(CC[6a]CN)	108.1063	0.165	3	108.1063	0.027	3	107.5997	0.455	18	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CC[6a]CN)	107.1833	0.552	3	107.1833	0.305	3	107.5997	0.455	18	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	H(CC[6a]CN)	107.0993	0.853	3	107.0993	0.728	3	107.5997	0.455	18	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	H(CC[6a]CN)	107.7138	0.696	5	107.7138	0.485	5	107.5997	0.455	18	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	H(CC[6a]CN)	107.5390	0.000	1	107.5390	0.000	1	107.5997	0.455	18	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	H(CC[6a]CN)	107.8400	0.836	3	107.8400	0.698	3	107.5997	0.455	18	107.3435	0.652	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	B[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCHH)(CCH)(H)	C(CC[6a]HH)(CB[5]CH)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CCHH)(CCH)(H)	C(CC[6a]HH)(CB[5]CH)(H)2	H(CB[5]CC)	107.3990	0.093	2	107.3990	0.009	2	107.3990	0.009	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.4190	0.000	1	109.4190	0.000	1	109.0843	0.132	3	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.6970	0.000	1	108.6970	0.000	1	109.0843	0.132	3	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCCH)2(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCCH)2(H)2	H(CC3)	109.1370	0.000	1	109.1370	0.000	1	109.0843	0.132	3	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]H)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]H)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.9780	0.000	1	107.9780	0.000	1	108.6704	0.320	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.6750	0.000	1	108.6750	0.000	1	108.6704	0.320	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CN[5]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.1900	0.000	1	109.1900	0.000	1	108.6704	0.320	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.2470	0.000	1	108.2470	0.000	1	108.6704	0.320	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CN[6]O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.2620	0.000	1	109.2620	0.000	1	108.6704	0.320	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C-3:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	C(CN[5]O)(CHHN)(NCH)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	H(CC[5]CN)	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	H(CC[5]CN)	107.9200	0.000	1	107.9200	0.000	1	107.9200	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	C(C[6]C[6]2H)(CC[5]HN)(H)2	H(CC[5]CN)	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C(CC[5a]CH)(CCCH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C(CC[5a]CH)(CCCH)(H)2	H(CC[5a]CC)	106.3020	0.000	1	106.3020	0.000	1	106.6234	1.075	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	105.9800	0.000	1	105.9800	0.000	1	106.6234	1.075	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	107.1490	0.000	1	107.1490	0.000	1	106.6234	1.075	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	108.1490	0.000	1	108.1490	0.000	1	106.6234	1.075	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	105.5370	0.000	1	105.5370	0.000	1	106.6234	1.075	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	C(C[6]C[6]2C)(CC[5a]CH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	C(C[6]C[6]2C)(CC[5a]CH)(H)2	H(CC[5a]CC)	109.9145	2.203	2	109.9145	4.852	2	109.9145	4.852	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	C(CC[5a]HN)(CCHH)(H)2	H(CC[5a]CN)	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	C(CC[5a]HN)(CCHH)(H)2	H(CC[5a]CN)	107.9080	0.000	1	107.9080	0.000	1	107.9494	0.796	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C(CC[5a]HN)(CCHH)(H)2	H(CC[5a]CN)	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C(CC[5a]HN)(CCHH)(H)2	H(CC[5a]CN)	106.5210	0.000	1	106.5210	0.000	1	107.9494	0.796	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC[5a]CN)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC[5a]CN)	108.0440	0.000	1	108.0440	0.000	1	107.9494	0.796	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HH)(H)2	H(CC[5a]CN)	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HH)(H)2	H(CC[5a]CN)	108.6370	0.434	2	108.6370	0.188	2	107.9494	0.796	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(CNO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]2)(CCHH)(CNO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	H(CC[6]CN)	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	H(CC[6]CN)	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	C(CC[6a]CH)(CHHO)(Br)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	C(CC[6a]CH)(CHHO)(Br)(H)	H(CC[6a]CC)	105.3635	0.149	2	105.3635	0.022	2	105.3635	0.022	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]CH)(CCFF)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]CH)(CCFF)(H)2	H(CC[6a]CC)	107.7050	0.000	1	107.7050	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	105.2550	0.000	1	105.2550	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	105.7475	0.180	2	105.7475	0.033	2	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CCHO)(H)2	H(CC[6a]CC)	107.1680	0.000	1	107.1680	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	106.2800	0.000	1	106.2800	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	108.0790	0.000	1	108.0790	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.3750	0.000	1	108.3750	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	106.7140	0.000	1	106.7140	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	107.5215	0.878	2	107.5215	0.770	2	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.8664	0.481	7	107.8664	0.232	7	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	106.7275	0.033	2	106.7275	0.001	2	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	107.6950	0.000	1	107.6950	0.000	1	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.4208	0.770	12	107.4208	0.593	12	107.3145	0.761	33	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	C(CC[6a]CH)(SC[6a]OO)(F)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	C(CC[6a]CH)(SC[6a]OO)(F)(H)	H(CC[6a]CC)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	C(CC[6a]CH)(SFOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	C(CC[6a]CH)(SFOO)(H)2	H(CC[6a]CC)	107.7800	0.000	1	107.7800	0.000	1	107.7800	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	C(CC[6a]CH)(SiSi3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	C(CC[6a]CH)(SiSi3)(H)2	H(CC[6a]CC)	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCN)(H)	C(C[5]O[5]2C)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCN)(H)	C(C[5]O[5]2C)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.8870	0.124	2	107.8870	0.015	2	107.8870	0.015	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCC)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	106.4540	0.000	1	106.4540	0.000	1	107.2405	1.242	4	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCH)(H)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCH)(H)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.5750	0.000	1	107.5750	0.000	1	107.2405	1.242	4	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	108.6690	0.000	1	108.6690	0.000	1	107.2405	1.242	4	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	106.2640	0.000	1	106.2640	0.000	1	107.2405	1.242	4	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CC[6a]CN)	107.5290	0.000	1	107.5290	0.000	1	107.1374	1.198	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CC[6a]CN)	106.8810	1.721	2	106.8810	2.962	2	107.1374	1.198	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CHHO)(Br)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CC[6a]HN)(CHHO)(Br)(H)	H(CC[6a]CN)	107.6973	0.536	3	107.6973	0.287	3	107.1374	1.198	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	H(CC[6a]CN)	105.5790	0.000	1	105.5790	0.000	1	107.1374	1.198	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CC[6a]HN)(CH3)(F)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CC[6a]HN)(CH3)(F)(H)	H(CC[6a]CN)	105.2240	0.436	2	105.2240	0.190	2	105.2240	0.190	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	106.3190	0.000	1	106.3190	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	H(CC[6a]CN)	107.8520	0.000	1	107.8520	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	107.7150	0.000	1	107.7150	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.5296	0.463	5	107.5296	0.214	5	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CB[5]HH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CB[5]HH)(H)2	H(CC[6a]CN)	108.3310	0.000	1	108.3310	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC3)(H)2	H(CC[6a]CN)	107.8570	0.000	1	107.8570	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC[6a]CN)	108.7230	0.000	1	108.7230	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	108.0137	0.746	3	108.0137	0.556	3	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CC[6a]CN)	107.5810	0.000	1	107.5810	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CClHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CClHH)(H)2	H(CC[6a]CN)	109.1770	0.000	1	109.1770	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CF3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CF3)(H)2	H(CC[6a]CN)	107.9720	0.000	1	107.9720	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CFFH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CFFH)(H)2	H(CC[6a]CN)	107.6175	0.093	2	107.6175	0.009	2	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	108.1367	0.796	3	108.1367	0.634	3	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHO)(H)2	H(CC[6a]CN)	107.5530	0.000	1	107.5530	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHS)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]HN)(CHHS)(H)2	H(CC[6a]CN)	107.8740	0.033	2	107.8740	0.001	2	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	107.2650	0.000	1	107.2650	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	106.8870	0.120	2	106.8870	0.014	2	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CC[6a]CN)	107.3240	0.000	1	107.3240	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C(CC[6a]CO)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C(CC[6a]CO)(CC[6a]HN)(H)2	H(CC[6a]CN)	108.3840	0.000	1	108.3840	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	107.5933	1.125	3	107.5933	1.266	3	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.3135	0.397	2	107.3135	0.157	2	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	107.6223	0.812	3	107.6223	0.659	3	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(H)2	H(CC[6a]CN)	109.0360	0.351	2	109.0360	0.123	2	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	H(CC[6a]CN)	109.0900	0.000	1	109.0900	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CC[6a]HN)(CHHO)(H)2	H(CC[6a]CN)	108.8110	0.000	1	108.8110	0.000	1	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	107.8890	0.758	2	107.8890	0.575	2	107.8394	0.539	44	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	C(CC[6a]HN)(NCHH)(H)2	H(CC[6a]CN)	108.2605	0.342	2	108.2605	0.117	2	108.2605	0.117	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:Cl-1:Cl-1:	C-4:	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(Cl)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCl2S)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(Cl)2	H(CC[6a]CN)	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	H(CC[6a]CN)	108.7610	0.000	1	108.7610	0.000	1	107.7945	1.868	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	H(CC[6a]CN)	106.8280	0.000	1	106.8280	0.000	1	107.7945	1.868	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C(C[6]C[6]2H)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	C(C[6]C[6]2H)(CC[6a]HN)(H)2	H(CC[6a]CN)	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.2670	0.249	2	107.2670	0.062	2	107.2670	0.062	2	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(OCoH)(H)	C(CC[6a]HO)(NCoCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(OCoH)(H)	C(CC[6a]HO)(NCoCC)(H)2	H(CC[6a]CO)	108.7005	0.910	2	108.7005	0.828	2	108.7180	2.918	4	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(ONiH)(H)	C(CC[6a]HO)(NNiCC)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CHHN)(ONiH)(H)	C(CC[6a]HO)(NNiCC)(H)2	H(CC[6a]CO)	108.7355	2.815	2	108.7355	7.924	2	108.7180	2.918	4	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:O-3:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(OAl2)(H)	C(N[6]C[6]2Al)(CC[6a]HO)(H)2	H(CC[6a]CO)	C(C[6a]C[6a]2)(CN[6]HH)(OAl2)(H)	C(N[6]C[6]2Al)(CC[6a]HO)(H)2	H(CC[6a]CO)	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	C(CC[6a]HS)(CH3)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	C(CC[6a]HS)(CH3)(H)2	H(CC[6a]CS)	108.7565	0.314	4	108.7565	0.099	4	108.7565	0.099	4	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	110.2890	0.000	1	110.2890	0.000	1	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	109.0850	0.000	1	109.0850	0.000	1	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CCN)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[6a]C)(CCHH)(CCN)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	105.5340	0.000	1	105.5340	0.000	1	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]C)(CCHH)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	105.7450	0.000	1	105.7450	0.000	1	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.4240	0.000	1	109.4240	0.000	1	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	108.8475	0.173	4	108.8475	0.030	4	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.2570	0.000	1	109.2570	0.000	1	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	108.4097	0.342	3	108.4097	0.117	3	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	107.6360	0.000	1	107.6360	0.000	1	108.3992	1.753	14	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[3]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	C(CN[3]HN)(CCHH)(H)2	H(CN[3]CN)	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	C(CN[3]HN)(CCHH)(H)2	H(CN[3]CN)	110.0940	0.000	1	110.0940	0.000	1	110.0940	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	104.5115	4.665	2	104.5115	21.760	2	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCCH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCCH)(H)2	H(CN[5]CC)	107.8520	0.000	1	107.8520	0.000	1	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	106.3180	0.000	1	106.3180	0.000	1	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	107.0528	0.948	23	107.0528	0.900	23	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CHHS)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CN[5]CH)(CHHS)(H)2	H(CN[5]CC)	106.8580	0.000	1	106.8580	0.000	1	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CCCH)(H)2	H(CN[5]CC)	107.1580	0.339	3	107.1580	0.115	3	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	106.3597	0.053	3	106.3597	0.003	3	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CHHS)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CN[5]CH)(CHHS)(H)2	H(CN[5]CC)	107.2000	1.081	3	107.2000	1.169	3	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(COS)(H)	C(CN[5]CH)(CCCH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(COS)(H)	C(CN[5]CH)(CCCH)(H)2	H(CN[5]CC)	107.3920	0.000	1	107.3920	0.000	1	106.8897	1.592	38	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	H(CN[5]CC)	106.5480	0.000	1	106.5480	0.000	1	107.0058	1.823	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	H(CN[5]CC)	106.3030	0.000	1	106.3030	0.000	1	107.0058	1.823	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	H(CN[5]CC)	106.5980	0.000	1	106.5980	0.000	1	107.0058	1.823	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	H(CN[5]CC)	107.7900	2.278	2	107.7900	5.191	2	107.0058	1.823	5	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:C-3:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CHHS)(CNO)(H)	C(SC[6a]OO)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CHHS)(CNO)(H)	C(SC[6a]OO)(CN[5]CH)(H)2	H(CN[5]CC)	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CN[5]HN)(CH3)(Br)(H)	H(CN[5]CN)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CN[5]HN)(CH3)(Br)(H)	H(CN[5]CN)	108.6360	0.000	1	108.6360	0.000	1	108.6360	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5]-3:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C(CN[5]HO)(CH3)(H)2	H(CN[5]CO)	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C(CN[5]HO)(CH3)(H)2	H(CN[5]CO)	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C(CC[6a]HH)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C(CC[6a]HH)(CN[5a]CH)(H)2	H(CN[5a]CC)	107.0747	0.577	3	107.0747	0.333	3	107.0926	0.737	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(COO)(H)	C(CN[5a]CH)(CCCH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(COO)(H)	C(CN[5a]CH)(CCCH)(H)2	H(CN[5a]CC)	106.6855	0.329	2	106.6855	0.108	2	107.0926	0.737	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CN[5a]CH)(CCHO)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CN[5a]CH)(CCHO)(H)2	H(CN[5a]CC)	106.3140	0.000	1	106.3140	0.000	1	107.0926	0.737	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	C(CN[5a]CH)(CCCH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	C(CN[5a]CH)(CCCH)(H)2	H(CN[5a]CC)	108.7390	0.000	1	108.7390	0.000	1	107.0926	0.737	7	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CC[6a]HH)(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CC[6a]HH)(CN[6]CH)(H)2	H(CN[6]CC)	108.8140	0.000	1	108.8140	0.000	1	108.1337	0.510	3	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:1:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	107.7935	0.571	2	107.7935	0.326	2	108.1337	0.510	3	107.6063	1.417	212	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	B[5]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(B[5]O[5]2)(CCHO)(CCH)(H)	C(CB[5]CH)(CCCH)(OH)(H)	H(CB[5]CC)	C(B[5]O[5]2)(CCHO)(CCH)(H)	C(CB[5]CH)(CCCH)(OH)(H)	H(CB[5]CC)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CCH)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CN[5]O)(CCHO)(CCH)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	108.8980	0.918	2	108.8980	0.842	2	108.8980	0.842	2	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	109.1220	1.105	4	109.1220	1.221	4	109.0463	0.969	6	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	109.6410	0.000	1	109.6410	0.000	1	109.0463	0.969	6	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OP)(H)	H(CCCN)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CH3)(OP)(H)	H(CCCN)	108.1490	0.000	1	108.1490	0.000	1	109.0463	0.969	6	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CSiHH)(NS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CSiHH)(NS)(H)	H(CC[6a]CC)	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CC3)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CC3)(OH)(H)	H(CC[6a]CC)	107.9320	0.000	1	107.9320	0.000	1	107.3020	0.442	3	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	H(CC[6a]CC)	106.9870	0.537	2	106.9870	0.289	2	107.3020	0.442	3	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C(CC[6a]HN)(CH3)(NC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C(CC[6a]HN)(CH3)(NC)(H)	H(CC[6a]CN)	107.6225	0.018	2	107.6225	0.000	2	107.6225	0.000	2	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCF)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCF)(OH)(H)	H(CC[6a]CN)	106.7340	0.000	2	106.7340	0.000	2	105.9139	0.918	14	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCO)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCCO)(OH)(H)	H(CC[6a]CN)	104.7840	0.000	1	104.7840	0.000	1	105.9139	0.918	14	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	H(CC[6a]CN)	105.9510	0.000	1	105.9510	0.000	1	105.9139	0.918	14	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CC[6a]HN)(CC3)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CC[6a]HN)(CC3)(OH)(H)	H(CC[6a]CN)	104.2805	0.023	2	104.2805	0.001	2	105.9139	0.918	14	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CCHH)(OH)(H)	H(CC[6a]CN)	106.2878	0.622	5	106.2878	0.387	5	105.9139	0.918	14	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CH3)(OC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CC[6a]HN)(CH3)(OC)(H)	H(CC[6a]CN)	106.1970	0.861	3	106.1970	0.741	3	105.9139	0.918	14	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	C[6a]-3:C-4:S-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	C(CC[6a]HS)(CHHO)(OP)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	C(CC[6a]HS)(CHHO)(OP)(H)	H(CC[6a]CS)	105.7990	0.330	4	105.7990	0.109	4	105.7990	0.109	4	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NS)(H)	H(CCCN)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NS)(H)	H(CCCN)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CCHO)(COO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	110.1320	0.000	1	110.1320	0.000	1	108.9015	3.028	2	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	107.6710	0.000	1	107.6710	0.000	1	108.9015	3.028	2	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	H(CN[5]CC)	106.8445	0.646	2	106.8445	0.417	2	106.9068	0.656	6	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(CNO)(H)	C(CN[5]CH)(CCCH)(OC)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CNO)(H)	C(CN[5]CH)(CCCH)(OC)(H)	H(CN[5]CC)	107.4950	0.881	2	107.4950	0.776	2	106.9068	0.656	6	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(COO)(H)	C(CN[5]CH)(CH3)(OH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(COO)(H)	C(CN[5]CH)(CH3)(OH)(H)	H(CN[5]CC)	106.3810	0.912	2	106.3810	0.832	2	106.9068	0.656	6	107.0364	2.149	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:2:2:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CC[6a]CH)(CH3)(CN)(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CC[6a]CH)(CH3)(CN)(OC)	H(CC[6a]CC)	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CN[5]S)(CCCH)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	H(CCCN)	C(CN[5]S)(CCCH)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	H(CCCN)	107.8880	0.000	1	107.8880	0.000	1	107.8880	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CN[6]O)(CCHN)(NCH)(H)	C(CCHN)(CH3)(NCH)(H)	H(CCCN)	C(CN[6]O)(CCHN)(NCH)(H)	C(CCHN)(CH3)(NCH)(H)	H(CCCN)	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[5]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C(CC[5]CH)(CH3)(NOO)(H)	H(CC[5]CC)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C(CC[5]CH)(CH3)(NOO)(H)	H(CC[5]CC)	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C(CC[5a]CH)(CCHH)(COO)(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C(CC[5a]CH)(CCHH)(COO)(H)	H(CC[5a]CC)	108.0710	0.000	1	108.0710	0.000	1	108.0710	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C(CC[5a]CH)(CH3)(NOO)(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C(CC[5a]CH)(CH3)(NOO)(H)	H(CC[5a]CC)	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	C(CC[6a]CH)(CH3)(CCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	C(CC[6a]CH)(CH3)(CCH)(H)	H(CC[6a]CC)	105.5640	0.000	1	105.5640	0.000	1	106.0517	3.620	9	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	H(CC[6a]CC)	106.4150	0.000	1	106.4150	0.000	1	106.0517	3.620	9	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CCHN)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CCHN)(COO)(H)	H(CC[6a]CC)	107.2170	4.247	2	107.2170	18.036	2	106.0517	3.620	9	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	H(CC[6a]CC)	104.8695	1.315	2	104.8695	1.728	2	106.0517	3.620	9	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	105.1710	0.000	1	105.1710	0.000	1	106.0517	3.620	9	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CH3)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CH3)(CNO)(H)	H(CC[6a]CC)	107.5720	0.000	1	107.5720	0.000	1	106.0517	3.620	9	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	H(CC[6a]CC)	105.5700	0.000	1	105.5700	0.000	1	106.0517	3.620	9	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CC[6a]CC)	106.8350	0.000	1	106.8350	0.000	1	107.7279	0.711	7	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	H(CC[6a]CC)	107.3310	0.000	1	107.3310	0.000	1	107.7279	0.711	7	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CCHH)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CC[6a]CH)(CCHH)(NCH)(H)	H(CC[6a]CC)	107.5485	0.708	2	107.5485	0.501	2	107.7279	0.711	7	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CC[6a]CC)	109.3210	0.000	1	109.3210	0.000	1	107.7279	0.711	7	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CF3)(NCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CF3)(NCC)(H)	H(CC[6a]CC)	108.0790	0.000	1	108.0790	0.000	1	107.7279	0.711	7	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CSiHH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CSiHH)(NHS)(H)	H(CC[6a]CC)	107.4320	0.000	1	107.4320	0.000	1	107.7279	0.711	7	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:C-3:F-1:	C-4:	C(C[6a]C[6a]2)(CCFS)(CCH)(H)	C(CC[6a]CH)(SC[6a]OO)(COO)(F)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFS)(CCH)(H)	C(CC[6a]CH)(SC[6a]OO)(COO)(F)	H(CC[6a]CC)	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	H(CC[6a]CC)	108.7435	0.438	2	108.7435	0.192	2	108.7435	0.192	2	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:F-1:	C-4:	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	H(CC[6a]CN)	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	H(CC[6a]CN)	106.9617	1.474	3	106.9617	2.173	3	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	H(CC[6a]CN)	105.8485	0.226	2	105.8485	0.051	2	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CCHH)(COO)(H)	H(CC[6a]CN)	106.8377	0.622	3	106.8377	0.387	3	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CCH)(H)	H(CC[6a]CN)	107.8535	1.296	4	107.8535	1.680	4	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	H(CC[6a]CN)	108.4645	0.269	2	108.4645	0.073	2	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C(CC[6a]HN)(CH3)(CNO)(H)	H(CC[6a]CN)	105.6700	0.000	1	105.6700	0.000	1	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	H(CC[6a]CN)	107.4945	0.078	2	107.4945	0.006	2	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	H(CC[6a]CN)	109.6210	0.000	1	109.6210	0.000	1	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	H(CC[6a]CN)	106.6040	0.000	1	106.6040	0.000	1	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(CCO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(CCO)(H)	H(CC[6a]CN)	105.4840	0.000	1	105.4840	0.000	1	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(H)	H(CC[6a]CN)	108.1250	0.000	1	108.1250	0.000	1	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	H(CC[6a]CN)	107.8186	0.191	7	107.8186	0.036	7	107.3808	1.257	28	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:Cl-1:	C-4:	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(Cl)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(Cl)	H(CC[6a]CN)	107.2500	0.000	2	107.2500	0.000	2	107.2500	0.000	2	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CN)	106.0860	0.000	1	106.0860	0.000	1	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CCHH)(NCC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CCHH)(NCC)(H)	H(CC[6a]CN)	106.7020	0.000	1	106.7020	0.000	1	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	H(CC[6a]CN)	106.3800	0.000	1	106.3800	0.000	1	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CC[6a]HN)(CH3)(NCH)(H)	H(CC[6a]CN)	108.1893	0.717	6	108.1893	0.514	6	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	H(CC[6a]CN)	109.0900	0.000	1	109.0900	0.000	1	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	H(CC[6a]CN)	108.7690	0.000	1	108.7690	0.000	1	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	H(CC[6a]CN)	107.6613	1.860	3	107.6613	3.461	3	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CH3)(NOO)(H)	H(CC[6a]CN)	107.0000	0.000	1	107.0000	0.000	1	107.7431	1.415	15	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHN)(CH3)(CCO)(H)	H(CCCN)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHN)(CH3)(CCO)(H)	H(CCCN)	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NHS)(H)	H(CCCN)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(CF3)(NHS)(H)	H(CCCN)	106.4080	0.000	1	106.4080	0.000	1	106.4080	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CC[6a]HH)(CN[5]CH)(COO)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CC[6a]HH)(CN[5]CH)(COO)(H)	H(CN[5]CC)	104.4130	0.320	2	104.4130	0.102	2	106.3285	4.964	4	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CCHH)(CCH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CCHH)(CCH)(H)	H(CN[5]CC)	108.2440	0.338	2	108.2440	0.114	2	106.3285	4.964	4	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(N[5]C[5]2)(CCHN)(CNO)(H)	C(CN[5]CH)(CH3)(NCH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHN)(CNO)(H)	C(CN[5]CH)(CH3)(NCH)(H)	H(CN[5]CC)	106.4850	1.181	2	106.4850	1.394	2	106.4850	1.394	2	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:1:	4:	S-3:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SC[6a]O)(CCCH)(CCO)(H)	C(CCHH)(CCHS)(COO)(H)	H(CCCS)	C(SC[6a]O)(CCCH)(CCO)(H)	C(CCHH)(CCHS)(COO)(H)	H(CCCS)	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.3306	1.757	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C(CC[6a]CH)(CCHH)(COO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C(CC[6a]CH)(CCHH)(COO)(OH)	H(CC[6a]CC)	106.7640	0.473	3	106.7640	0.224	3	106.7640	0.224	3	106.7392	0.152	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:2:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(OH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C(CC[6a]HN)(CH3)(COO)(OH)	H(CC[6a]CN)	106.6650	0.000	1	106.6650	0.000	1	106.6650	0.000	1	106.7392	0.152	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:3:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	H(CC[5a]CC)	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	106.9368	2.013	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CC[6a]CH)(CCHH)(COO)(NHS)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CC[6a]CH)(CCHH)(COO)(NHS)	H(CC[6a]CC)	106.3890	0.311	2	106.3890	0.097	2	106.2491	1.450	7	106.9368	2.013	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CC[6a]CH)(CF3)(COO)(NHH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CC[6a]CH)(CF3)(COO)(NHH)	H(CC[6a]CC)	107.6610	0.117	2	107.6610	0.014	2	106.2491	1.450	7	106.9368	2.013	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CC[6a]CH)(CH3)(COO)(NCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CC[6a]CH)(CH3)(COO)(NCH)	H(CC[6a]CC)	105.2147	0.823	3	105.2147	0.677	3	106.2491	1.450	7	106.9368	2.013	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	H(CC[6a]CN)	109.7970	0.000	1	109.7970	0.000	1	108.2188	1.154	4	106.9368	2.013	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C(CC[6a]HN)(CH3)(COO)(NOO)	H(CC[6a]CN)	107.9920	0.000	1	107.9920	0.000	1	108.2188	1.154	4	106.9368	2.013	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:3:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	H(CC[6a]CN)	107.5430	0.088	2	107.5430	0.008	2	108.2188	1.154	4	106.9368	2.013	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	B[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(B[5]O[5]2)(CCCH)(NHS)(H)	C(CB[5]HN)(CH3)2(H)	H(CB[5]CN)	C(B[5]O[5]2)(CCCH)(NHS)(H)	C(CB[5]HN)(CH3)2(H)	H(CB[5]CN)	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]O)(CCCH)(CCH)(H)	C(CCCH)2(CCHH)(H)	H(CC3)	C(CC[5a]O)(CCCH)(CCH)(H)	C(CCCH)2(CCHH)(H)	H(CC3)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CN[5]O)(CCCH)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.1340	0.000	1	108.1340	0.000	1	108.4832	1.954	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CF3)(H)	H(CCCN)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CF3)(H)	H(CCCN)	108.5870	0.000	1	108.5870	0.000	1	108.4832	1.954	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.6560	0.000	1	108.6560	0.000	1	108.4832	1.954	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CF3)(CH3)(H)	H(CCCN)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CF3)(CH3)(H)	H(CCCN)	108.3340	0.000	1	108.3340	0.000	1	108.4832	1.954	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.8091	1.962	7	107.8091	3.850	7	108.4832	1.954	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	C(CN[5]O)(CCCH)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	109.2927	0.601	3	109.2927	0.361	3	108.4832	1.954	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(NHO)(H)	C(CC[6]HH)(CCHN)(CH3)(H)	H(CCCN)	C(CN[5]O)(CCCH)(NHO)(H)	C(CC[6]HH)(CCHN)(CH3)(H)	H(CCCN)	109.3203	0.051	3	109.3203	0.003	3	108.4832	1.954	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CH3)(H)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CH3)(H)	H(CC[5]CN)	107.9742	1.692	6	107.9742	2.864	6	107.5839	2.191	9	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CH3)2(H)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CC[5]HN)(CH3)2(H)	H(CC[5]CN)	106.9955	0.494	2	106.9955	0.244	2	107.5839	2.191	9	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C(CC[5]HN)(CH3)2(H)	H(CC[5]CN)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C(CC[5]HN)(CH3)2(H)	H(CC[5]CN)	106.4190	0.000	1	106.4190	0.000	1	107.5839	2.191	9	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	C(CC[5a]CH)(CCHH)(CHHO)(H)	H(CC[5a]CC)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	C(CC[5a]CH)(CCHH)(CHHO)(H)	H(CC[5a]CC)	108.1900	0.000	1	108.1900	0.000	1	108.1900	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	H(CC[5a]CN)	106.9150	0.815	4	106.9150	0.664	4	107.5789	0.637	29	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	H(CC[5a]CN)	107.5290	0.000	1	107.5290	0.000	1	107.5789	0.637	29	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[5a]CN)	107.7143	0.531	11	107.7143	0.282	11	107.5789	0.637	29	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[5a]CN)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[5a]CN)	107.8110	0.000	1	107.8110	0.000	1	107.5789	0.637	29	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	H(CC[5a]CN)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	H(CC[5a]CN)	108.8110	0.147	3	108.8110	0.022	3	107.5789	0.637	29	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	H(CC[5a]CN)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	H(CC[5a]CN)	107.0890	0.000	1	107.0890	0.000	1	107.5789	0.637	29	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	H(CC[5a]CN)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CC[5a]HN)(CH3)2(H)	H(CC[5a]CN)	107.3012	0.890	8	107.3012	0.793	8	107.5789	0.637	29	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CCHH)(CHHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CCHH)(CHHO)(H)	H(CC[6a]CC)	107.9065	0.049	2	107.9065	0.002	2	107.6831	0.096	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	H(CC[6a]CC)	107.3280	0.000	1	107.3280	0.000	1	107.6831	0.096	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	107.4646	0.242	7	107.4646	0.059	7	107.6831	0.096	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CC[6a]CC)	107.8718	0.146	4	107.8718	0.021	4	107.6831	0.096	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	108.1140	0.122	2	108.1140	0.015	2	107.6831	0.096	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)2(CC[6a]HH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)2(CC[6a]HH)(H)	H(CC[6a]CC)	107.5040	0.000	1	107.5040	0.000	1	107.6831	0.096	17	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CCHH)(NCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CC[6a]CH)(CCHH)(NCHH)(H)	H(CC[6a]CC)	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:S-4:F-1:	C-4:	C(C[6a]C[6a]2)(CFSS)(CCH)(H)	C(CC[6a]CH)(SC[6a]OO)2(F)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CFSS)(CCH)(H)	C(CC[6a]CH)(SC[6a]OO)2(F)	H(CC[6a]CC)	105.6840	0.000	1	105.6840	0.000	1	105.6840	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	C(CC[6a]CH)(SC[6a]OO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	C(CC[6a]CH)(SC[6a]OO)2(H)	H(CC[6a]CC)	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CC[6a]CN)	107.6238	0.514	13	107.6238	0.264	13	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CHHN)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)(CHHN)(CH3)(H)	H(CC[6a]CN)	107.3170	0.000	1	107.3170	0.000	1	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)2(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)2(CH3)(H)	H(CC[6a]CN)	106.5685	0.486	4	106.5685	0.236	4	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	105.9025	0.032	2	105.9025	0.001	2	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	106.1755	0.757	4	106.1755	0.572	4	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCHH)(CHHO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CCHH)(CHHO)(H)	H(CC[6a]CN)	107.5640	0.000	1	107.5640	0.000	1	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	H(CC[6a]CN)	107.4940	0.000	1	107.4940	0.000	1	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	107.3870	0.182	2	107.3870	0.033	2	107.1085	0.637	28	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C(CC[6a]HN)(CH3)(PO3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C(CC[6a]HN)(CH3)(PO3)(H)	H(CC[6a]CN)	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	H(CC[6a]CN)	106.7540	0.000	1	106.7540	0.000	1	105.8345	1.691	2	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	H(CC[6a]CN)	104.9150	0.000	1	104.9150	0.000	1	105.8345	1.691	2	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:P-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	H(CC[6a]CN)	106.6410	0.000	1	106.6410	0.000	1	106.6410	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-3:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	C(CC[6a]HO)(NCoCC)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	C(CC[6a]HO)(NCoCC)(CH3)(H)	H(CC[6a]CO)	109.0810	0.962	5	109.0810	0.925	5	109.8552	5.279	11	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C-4:O-3:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	C(CC[6a]HO)(NNiCC)(CH3)(H)	H(CC[6a]CO)	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	C(CC[6a]HO)(NNiCC)(CH3)(H)	H(CC[6a]CO)	110.5003	2.953	6	110.5003	8.718	6	109.8552	5.279	11	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N-3:C-4:B-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[5]C)(CCCH)(BCN)(H)	C(CBHN)(CCHH)2(H)	H(CBCN)	C(NC[5]C)(CCCH)(BCN)(H)	C(CBHN)(CCHH)2(H)	H(CBCN)	102.1160	0.059	2	102.1160	0.004	2	103.6127	6.722	3	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N-3:C-4:B-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]H)(CCCH)(BCO)(H)	C(CBHN)(CCHH)2(H)	H(CBCN)	C(NC[6a]H)(CCCH)(BCO)(H)	C(CBHN)(CCHH)2(H)	H(CBCN)	106.6060	0.000	1	106.6060	0.000	1	103.6127	6.722	3	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[4]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(NC[4]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.2417	0.701	4	108.2417	0.491	4	108.2239	0.323	8	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[5]H)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NC[5]H)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.0890	0.120	2	108.0890	0.014	2	108.2239	0.323	8	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.3230	0.847	2	108.3230	0.718	2	108.2239	0.323	8	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	107.4800	0.000	1	107.4800	0.000	1	106.4710	0.475	12	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	105.7905	1.077	2	105.7905	1.160	2	106.4710	0.475	12	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CSiHH)(CCHH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CN[5]CH)(CSiHH)(CCHH)(H)	H(CN[5]CC)	106.3070	0.580	2	106.3070	0.336	2	106.4710	0.475	12	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	106.3798	0.362	4	106.3798	0.131	4	106.4710	0.475	12	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	H(CN[5]CC)	107.2300	0.000	1	107.2300	0.000	1	106.4710	0.475	12	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	106.6140	0.827	2	106.6140	0.684	2	106.4710	0.475	12	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:Si-4:H-1:	C-4:	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C(CN[5]CH)(CCHH)(SiC3)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C(CN[5]CH)(CCHH)(SiC3)(H)	H(CN[5]CC)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	C(CN[5a]CH)(CH3)2(H)	H(CN[5a]CC)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	C(CN[5a]CH)(CH3)2(H)	H(CN[5a]CC)	107.3360	0.877	2	107.3360	0.769	2	107.5737	0.334	4	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	H(CN[5a]CC)	107.8115	0.084	2	107.8115	0.007	2	107.5737	0.334	4	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:1:	4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	H(CN[6]CC)	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	H(CN[6]CC)	107.5043	2.437	7	107.5043	5.937	7	107.5043	5.937	7	107.6267	2.356	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CC[6a]CH)(CHHO)(CH3)(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CC[6a]CH)(CHHO)(CH3)(OC)	H(CC[6a]CC)	100.7390	0.000	1	100.7390	0.000	1	103.5135	15.396	2	105.3020	9.437	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	H(CC[6a]CC)	106.2880	0.000	1	106.2880	0.000	1	103.5135	15.396	2	105.3020	9.437	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:2:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	H(CC[6a]CN)	107.0905	0.349	2	107.0905	0.122	2	107.0905	0.122	2	105.3020	9.437	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CCH)	H(CCCN)	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CCH)	H(CCCN)	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(CCC)(H)	C(CC[6a]CH)(CH3)2(CCO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CCC)(H)	C(CC[6a]CH)(CH3)2(CCO)	H(CC[6a]CC)	101.5310	0.000	1	101.5310	0.000	1	103.0890	4.855	2	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CH3)2(COO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CH3)2(COO)	H(CC[6a]CC)	104.6470	0.000	1	104.6470	0.000	1	103.0890	4.855	2	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(CC[6a]HN)(CHHP)(CH3)(CCH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(CC[6a]HN)(CHHP)(CH3)(CCH)	H(CC[6a]CN)	104.1140	0.000	1	104.1140	0.000	1	106.1735	1.768	6	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C(CC[6a]HN)(CH3)2(CNO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C(CC[6a]HN)(CH3)2(CNO)	H(CC[6a]CN)	106.3490	0.645	3	106.3490	0.415	3	106.1735	1.768	6	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CC[6a]CN)	105.8220	0.000	1	105.8220	0.000	1	106.1735	1.768	6	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)2(COO)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)2(COO)	H(CC[6a]CN)	108.0580	0.000	1	108.0580	0.000	1	106.1735	1.768	6	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:3:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)2(NCH)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CC[6a]HN)(CH3)2(NCH)	H(CC[6a]CN)	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	105.9617	4.606	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CN[5]O)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	107.8330	0.275	4	107.8330	0.076	4	107.8330	0.076	4	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C(CC[5a]HN)(CH3)3	H(CC[5a]CN)	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C(CC[5a]HN)(CH3)3	H(CC[5a]CN)	106.3320	0.000	1	106.3320	0.000	1	106.3320	0.000	1	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	H(CC[6a]CC)	105.6180	0.233	2	105.6180	0.054	2	105.9105	0.132	4	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CC[6a]CC)	106.2030	0.020	2	106.2030	0.000	2	105.9105	0.132	4	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC[6a]HN)(CH3)3	H(CC[6a]CN)	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNiC)(CC3)(COO)(H)	C(CCHN)(CH3)3	H(CCCN)	C(NNiC)(CC3)(COO)(H)	C(CCHN)(CH3)3	H(CCCN)	108.7500	0.000	1	108.7500	0.000	1	108.7613	0.000	3	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NPdS)(CC3)(COO)(H)	C(CPdHH)(CCHN)(CH3)2	H(CCCN)	C(NPdS)(CC3)(COO)(H)	C(CPdHH)(CCHN)(CH3)2	H(CCCN)	108.7670	0.000	2	108.7670	0.000	2	108.7613	0.000	3	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5]2)(CC3)(CNO)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	C(N[5]C[5]2)(CC3)(CNO)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	106.2685	0.200	2	106.2685	0.040	2	105.4838	0.960	5	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:3:1:	4:4:4:4:	4:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5]2)(CC3)(COO)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	C(N[5]C[5]2)(CC3)(COO)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	104.9607	0.935	3	104.9607	0.873	3	105.4838	0.960	5	106.8651	2.079	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	2:4:1:1:	4:	N-3:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(OC[6])(CCHN)(H)2	H(CCCN)	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(OC[6])(CCHN)(H)2	H(CCCN)	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	105.7490	0.159	4	105.7490	0.025	4	105.8428	0.063	5	105.8825	0.060	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	H(CC[6a]CC)	106.2180	0.000	1	106.2180	0.000	1	105.8428	0.063	5	105.8825	0.060	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5])(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	105.8825	0.060	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	105.2030	0.000	1	105.2030	0.000	1	106.7684	0.277	25	106.7684	0.277	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	106.9203	0.266	21	106.9203	0.071	21	106.7684	0.277	25	106.7684	0.277	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	H(CC[6a]CC)	106.0650	0.000	1	106.0650	0.000	1	106.7684	0.277	25	106.7684	0.277	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	105.4750	0.000	1	105.4750	0.000	1	106.7684	0.277	25	106.7684	0.277	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	H(CC[6a]CC)	107.1390	0.000	1	107.1390	0.000	1	106.7684	0.277	25	106.7684	0.277	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:3:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	H(CN[5]CC)	107.6317	0.052	3	107.6317	0.003	3	107.3882	0.113	5	107.3882	0.113	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:3:4:3:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	H(CN[5]CC)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	H(CN[5]CC)	107.0230	0.061	2	107.0230	0.004	2	107.3882	0.113	5	107.3882	0.113	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	B[5]-3:B-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]BH)(H)2	H(CB[5]BC)	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]BH)(H)2	H(CB[5]BC)	106.5910	0.000	1	106.5910	0.000	1	106.5910	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	H(CB[5]CC)	109.3060	0.000	1	109.3060	0.000	1	109.3060	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	H(CC[5]CC)	107.5530	0.198	3	107.5530	0.039	3	107.3263	0.232	4	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	H(CC[5]CC)	106.6460	0.000	1	106.6460	0.000	1	107.3263	0.232	4	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[5]-3:C-4:O-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2)(CC[5]HH)(OMn3)(H)	C(C[5]N[5]2)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]N[5]2)(CC[5]HH)(OMn3)(H)	C(C[5]N[5]2)(CC[5]HO)(H)2	H(CC[5]CO)	108.8320	0.223	12	108.8320	0.050	12	108.8320	0.050	12	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	H(CC[5a]CC)	107.1575	0.005	2	107.1575	0.000	2	107.1575	0.000	2	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[5a]-3:C-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	H(CC[5a]CS)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5a]HS)(H)2	H(CC[5a]CS)	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6]-3:C-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	H(CC[6]CP)	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C(C[6a]C[6a]N[6a])(CC[6]HP)(H)2	H(CC[6]CP)	104.6680	0.000	1	104.6680	0.000	1	104.6680	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:B-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	H(CC[6a]BC)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]BH)(H)2	H(CC[6a]BC)	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	H(CC[6a]CC)	107.2625	0.182	2	107.2625	0.033	2	107.2625	0.033	2	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	H(CC[6a]CC)	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	H(CC[6a]CC)	108.0740	0.054	2	108.0740	0.003	2	108.0740	0.003	2	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	H(CC[6a]CC)	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	106.5120	0.123	2	106.5120	0.015	2	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.7555	0.033	2	107.7555	0.001	2	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	106.2713	0.347	3	106.2713	0.120	3	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.6636	0.392	9	107.6636	0.154	9	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	H(CC[6a]CC)	107.7610	0.253	2	107.7610	0.064	2	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.8851	0.469	14	107.8851	0.220	14	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	108.0650	0.000	1	108.0650	0.000	1	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	108.3485	0.180	2	108.3485	0.033	2	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	110.8260	0.000	1	110.8260	0.000	1	107.7173	0.704	36	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	H(CC[6a]CC)	108.3640	0.409	2	108.3640	0.167	2	108.3640	0.167	2	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	H(CC[6a]CC)	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	H(CC[6a]CC)	106.9260	0.000	1	106.9260	0.000	1	106.9260	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.7373	0.644	4	107.7373	0.415	4	107.7373	0.415	4	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)(O)	H(CC[6a]CN)	108.8102	0.951	6	108.8102	0.905	6	108.8102	0.905	6	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	H(CC[6a]CP)	106.8500	0.000	1	106.8500	0.000	1	106.8500	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:Si-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]SiH)(H)2	H(CC[6a]SiC)	106.7850	0.000	1	106.7850	0.000	1	106.7850	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-3:C-4:Cl-1:H-1:	C-4:	C(NC[6a]H)(CClCH)(CFFS)(H)	C(CC[6a]O)(CCHN)(Cl)(H)	H(CCCN)	C(NC[6a]H)(CClCH)(CFFS)(H)	C(CC[6a]O)(CCHN)(Cl)(H)	H(CCCN)	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	H(CN[5]CC)	107.3790	0.800	2	107.3790	0.641	2	107.6499	0.248	7	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	108.0125	0.651	2	108.0125	0.424	2	107.6499	0.248	7	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	H(CN[5]CC)	107.5887	0.032	3	107.5887	0.001	3	107.6499	0.248	7	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	H(CN[5]CC)	108.4300	0.000	1	108.4300	0.000	1	108.3865	0.004	2	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	H(CN[5]CC)	108.3430	0.000	1	108.3430	0.000	1	108.3865	0.004	2	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	H(CC[5]N[5]C)	C(N[5]B[5]C[5])(C[5]C[5]2Fe)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[5]N[5]H)(H)2	H(CC[5]N[5]C)	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:F-1:F-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(F)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(F)2	H(CN[5a]CC)	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	107.7080	0.150	2	107.7080	0.022	2	106.9884	0.469	10	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	106.8280	0.000	1	106.8280	0.000	1	106.9884	0.469	10	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	106.7230	0.543	5	106.7230	0.295	5	106.9884	0.469	10	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	H(CN[5a]CC)	107.0125	1.266	2	107.0125	1.604	2	106.9884	0.469	10	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	H(CN[6]CC)	106.1180	0.000	1	106.1180	0.000	1	106.1180	0.000	1	107.7798	0.837	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	B[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	H(CB[5]CC)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	H(CB[5]CC)	109.8560	0.000	1	109.8560	0.000	1	109.8560	0.000	1	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CF3)(H)	C(CC[6a]O)(CCCH)(OSi)(H)	H(CC3)	C(CN[5]O)(CCHO)(CF3)(H)	C(CC[6a]O)(CCCH)(OSi)(H)	H(CC3)	109.0645	0.235	2	109.0645	0.055	2	109.0645	0.055	2	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	H(CC[6]CC)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	H(CC[6]CC)	107.5580	0.000	1	107.5580	0.000	1	107.5580	0.000	1	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	H(CC[6]CN)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	H(CC[6]CN)	108.2940	0.601	2	108.2940	0.361	2	108.2940	0.361	2	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6]-3:C-4:P-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	H(CC[6]CP)	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C(C[6a]C[6a]2)(CC[6]HP)(OMn)(H)	H(CC[6]CP)	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:B-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	H(CC[6a]BC)	C(C[6a]C[6a]2)(CC[6a]HO)(BN[5]HH)(H)	C(C[6a]C[6a]2)(CC[6a]BH)(OH)(H)	H(CC[6a]BC)	106.5080	0.000	1	106.5080	0.000	1	106.5080	0.000	1	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-3:C-4:S-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	H(CC[6a]CC)	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	H(CC[6a]CC)	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	H(CC[6a]CC)	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	H(CC[6a]CC)	106.7913	0.562	3	106.7913	0.316	3	106.4913	0.861	11	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	106.2810	0.000	1	106.2810	0.000	1	106.4913	0.861	11	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	105.2103	0.119	3	105.2103	0.014	3	106.4913	0.861	11	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	107.4550	0.000	1	107.4550	0.000	1	106.4913	0.861	11	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	107.2940	0.000	1	107.2940	0.000	1	106.4913	0.861	11	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	106.8890	0.000	1	106.8890	0.000	1	106.4913	0.861	11	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	107.4800	0.000	1	107.4800	0.000	1	106.4913	0.861	11	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	H(CC[6a]CN)	107.7870	0.435	47	107.7870	0.190	47	107.7870	0.190	47	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]HO)(SO3)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(OH)(H)	H(CC[6a]CS)	107.9515	0.146	2	107.9515	0.021	2	107.9515	0.021	2	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	H(CN[5]CC)	106.3920	0.000	1	106.3920	0.000	1	106.9825	0.697	2	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	H(CN[5]CC)	107.5730	0.000	1	107.5730	0.000	1	106.9825	0.697	2	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:1:	4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	H(CN[5a]CC)	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	H(CN[5a]CC)	107.7070	0.197	2	107.7070	0.039	2	107.7070	0.039	2	107.7013	1.015	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:2:3:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:S-2:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(COO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(COO)	H(CC[6a]CC)	106.0850	0.000	1	106.0850	0.000	1	106.0850	0.000	1	106.0850	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	H(CC[5a]CC)	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	H(CC[5a]CC)	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	H(CC[5a]CC)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	H(CC[5a]CC)	107.2830	0.000	1	107.2830	0.000	1	107.6620	0.287	2	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	H(CC[5a]CC)	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	H(CC[5a]CC)	108.0410	0.000	1	108.0410	0.000	1	107.6620	0.287	2	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	H(CC[6]CC)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	H(CC[6]CC)	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	H(CC[6a]CC)	107.0350	0.182	2	107.0350	0.033	2	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	H(CC[6a]CC)	106.9780	0.000	1	106.9780	0.000	1	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	H(CC[6a]CC)	106.4700	0.000	1	106.4700	0.000	1	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	H(CC[6a]CC)	108.1090	0.023	2	108.1090	0.001	2	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	H(CC[6a]CC)	106.7150	2.243	3	106.7150	5.031	3	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	H(CC[6a]CC)	107.5210	0.000	1	107.5210	0.000	1	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	107.8710	0.000	1	107.8710	0.000	1	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	H(CC[6a]CC)	108.5590	0.000	1	108.5590	0.000	1	107.3193	1.393	12	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	H(CC[6a]CC)	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	H(CC[6a]CC)	107.6020	0.000	1	107.6020	0.000	1	107.6655	0.572	8	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	H(CC[6a]CC)	106.3400	0.000	1	106.3400	0.000	1	107.6655	0.572	8	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	107.7780	0.000	1	107.7780	0.000	1	107.6655	0.572	8	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	H(CC[6a]CC)	107.3150	0.119	2	107.3150	0.014	2	107.6655	0.572	8	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	H(CC[6a]CC)	107.9720	0.000	1	107.9720	0.000	1	107.6655	0.572	8	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	108.9910	0.000	1	108.9910	0.000	1	107.6655	0.572	8	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	108.0110	0.000	1	108.0110	0.000	1	107.6655	0.572	8	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	106.1780	0.000	1	106.1780	0.000	1	107.6980	1.858	3	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	H(CC[6a]CC)	108.4580	0.501	2	108.4580	0.251	2	107.6980	1.858	3	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	H(CC[6a]CN)	108.2950	0.000	1	108.2950	0.000	1	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	107.6863	1.015	4	107.6863	1.029	4	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHH)(H)	H(CC[6a]CN)	108.1115	0.934	4	108.1115	0.873	4	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NIrS)(H)	H(CC[6a]CN)	108.5771	1.374	8	108.5771	1.887	8	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	H(CC[6a]CN)	105.6260	4.274	2	105.6260	18.265	2	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NPdHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5]Pd)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NPdHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5]Pd)(H)	H(CC[6a]CN)	107.9623	0.216	3	107.9623	0.047	3	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRhCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRhS)(H)	H(CC[6a]CN)	108.4340	0.000	1	108.4340	0.000	1	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	H(CC[6a]CN)	106.2510	0.143	2	106.2510	0.020	2	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	H(CC[6a]CN)	107.6220	0.560	2	107.6220	0.314	2	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuS)(H)	H(CC[6a]CN)	108.1195	0.275	2	108.1195	0.076	2	107.8504	2.076	29	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]FeH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]FeH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeC)(H)	H(CC[6a]CN)	106.3695	1.141	2	106.3695	1.301	2	106.3695	1.301	2	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	H(CN[5]CC)	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:1:	4:	N[5]-3:C-4:O-4:H-1:	N[5]-3:C-4:O-3:H-1:	C-4:	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	H(CN[5]CO)	C(N[5]C[5]N[5])(CN[5]HO)(ONi3)(H)	C(N[5]C[5]N[5])(CN[5]HO)(ONi2)(H)	H(CN[5]CO)	108.3080	0.000	1	108.3080	0.000	1	108.3080	0.000	1	107.6582	1.505	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	H(CC[6a]CC)	106.3240	0.000	1	106.3240	0.000	1	107.2696	0.430	7	107.2696	0.430	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	H(CC[6a]CC)	107.6795	0.385	4	107.6795	0.148	4	107.2696	0.430	7	107.2696	0.430	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	H(CC[6a]CC)	107.3270	0.000	1	107.3270	0.000	1	107.2696	0.430	7	107.2696	0.430	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	H(CC[6a]CC)	106.5180	0.000	1	106.5180	0.000	1	107.2696	0.430	7	107.2696	0.430	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	H(CC[6a]CC)	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	B[5]-3:C-4:C-4:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	H(CB[5]CC)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	H(CB[5]CC)	109.2070	0.151	3	109.2070	0.023	3	109.2070	0.023	3	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C-3:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CC[6a]O)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CC[6a]O)(CCCH)(CCHH)(H)	H(CC3)	109.0007	0.222	3	109.0007	0.049	3	109.0539	0.097	10	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C-3:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CC[6a]O)(CCCH)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]O)(CCCH)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(H)	H(CC3)	109.0767	0.357	7	109.0767	0.127	7	109.0539	0.097	10	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	H(CC[5]CC)	105.4995	0.131	2	105.4995	0.017	2	105.4995	0.017	2	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[5a]-3:C-4:C-4:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	H(CC[5a]CC)	106.6853	0.098	3	106.6853	0.010	3	106.6853	0.010	3	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6]-3:P-4:C-4:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	H(CC[6]CP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	H(CC[6]CP)	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]CC)	105.6852	0.185	4	105.6852	0.034	4	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	H(CC[6a]CC)	106.2130	0.000	1	106.2130	0.000	1	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	106.7483	0.116	3	106.7483	0.013	3	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	107.6900	0.000	1	107.6900	0.000	1	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	H(CC[6a]CC)	106.8557	0.594	3	106.8557	0.353	3	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCo2C)(H)	H(CC[6a]CC)	105.6452	1.139	10	105.6452	1.298	10	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	H(CC[6a]CC)	106.4670	1.010	3	106.4670	1.020	3	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CFe2H)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CFe2H)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CFe2H)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CFe2H)(H)	H(CC[6a]CC)	107.3585	0.383	2	107.3585	0.146	2	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	107.0645	0.170	2	107.0645	0.029	2	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	H(CC[6a]CC)	107.9740	0.000	1	107.9740	0.000	1	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	108.2230	0.016	2	108.2230	0.000	2	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	H(CC[6a]CC)	107.2870	0.246	2	107.2870	0.061	2	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	H(CC[6a]CC)	105.7060	0.236	2	105.7060	0.056	2	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	H(CC[6a]CC)	105.8500	0.000	1	105.8500	0.000	1	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	108.2990	0.000	1	108.2990	0.000	1	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CC[6a]CC)	108.3230	0.041	2	108.3230	0.002	2	106.5839	1.273	40	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	H(CC[6a]CC)	107.6707	0.373	3	107.6707	0.139	3	107.6707	0.139	3	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:S-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	H(CC[6a]CC)	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CC[6a]CN)	108.0680	0.339	3	108.0680	0.115	3	108.0680	0.115	3	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	H(CC[6a]CN)	108.5110	0.648	3	108.5110	0.420	3	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCoHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCoHH)(H)	H(CC[6a]CN)	107.4175	0.407	2	107.4175	0.165	2	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NCuCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCuCH)(H)	H(CC[6a]CN)	108.8235	0.462	2	108.8235	0.213	2	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NFeCH)(H)	H(CC[6a]CN)	107.7749	0.805	10	107.7749	0.647	10	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	H(CC[6a]CN)	107.7933	0.909	26	107.7933	0.826	26	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NMoCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NMoCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NMoCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NMoCH)(H)	H(CC[6a]CN)	108.2765	0.738	2	108.2765	0.544	2	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NNiCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiCH)(H)	H(CC[6a]CN)	108.0770	0.776	4	108.0770	0.602	4	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NNiHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NNiHH)(H)	H(CC[6a]CN)	106.8690	0.769	4	106.8690	0.591	4	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NRuHH)(H)	H(CC[6a]CN)	107.9470	0.700	15	107.9470	0.490	15	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	H(CC[6a]CN)	107.6560	0.363	2	107.6560	0.132	2	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	H(CC[6a]CN)	107.4280	0.000	1	107.4280	0.000	1	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NZnHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnHH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnHH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnHH)(H)	H(CC[6a]CN)	107.6329	0.644	14	107.6329	0.414	14	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(NZnCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NZnCH)(H)	H(CC[6a]CN)	108.6880	0.000	1	108.6880	0.000	1	107.8165	0.635	86	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:S-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	H(CC[6a]CS)	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C-4:Si-4:H-1:	C[6a]-3:C-4:Si-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	C(C[6a]C[6a]2)(CC[6a]SiH)(SiCl3)(H)	H(CC[6a]SiC)	106.5560	0.000	1	106.5560	0.000	1	106.5560	0.000	1	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	C(C[6a]C[6a]N[6a])(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(H)	H(CC[6a]C[5]C)	107.2455	0.828	4	107.2455	0.686	4	107.2455	0.686	4	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]RhH)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[6a]HN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]RhH)(CC[6a]HP)(H)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[6a]HN)(H)	H(CC[6a]CN)	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:P-4:C-4:H-1:	C[6]-3:P-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	H(CC[6a]CP)	C(C[6a]C[6a]N[6a])(PC[6a]2Rh)(CC[6]HP)(H)	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	H(CC[6a]CP)	104.6940	0.000	1	104.6940	0.000	1	104.6940	0.000	1	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	C[6a]-3:P-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]RhH)(CC[6a]HP)(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(NC[6a]RhH)(CC[6a]HP)(H)	H(CC[6a]CP)	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	H(CCCN)	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	H(CCCN)	107.1743	0.083	3	107.1743	0.007	3	107.1743	0.007	3	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	S[6]-3:C-4:C-4:H-1:	S[6]-3:C-4:C-4:H-1:	C-4:	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	H(CS[6]CC)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	H(CS[6]CC)	107.6170	0.000	1	107.6170	0.000	1	107.2875	0.217	2	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:1:	4:	S[6]-3:C-4:C-4:H-1:	S[6]-3:C-4:C-4:H-1:	C-4:	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	H(CS[6]CC)	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	H(CS[6]CC)	106.9580	0.000	1	106.9580	0.000	1	107.2875	0.217	2	107.5348	1.279	166	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CC[6a]CC)	105.6680	0.000	1	105.6680	0.000	1	106.4640	1.397	6	106.6012	1.293	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	H(CC[6a]CC)	105.5930	0.491	2	105.5930	0.241	2	106.4640	1.397	6	106.6012	1.293	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	H(CC[6a]CC)	106.0360	0.000	1	106.0360	0.000	1	106.4640	1.397	6	106.6012	1.293	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CC[6a]CC)	108.0200	0.000	1	108.0200	0.000	1	106.4640	1.397	6	106.6012	1.293	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	H(CC[6a]CC)	107.8740	0.000	1	107.8740	0.000	1	106.4640	1.397	6	106.6012	1.293	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:2:	4:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	H(CN[5a]CC)	107.0130	1.271	2	107.0130	1.616	2	107.0130	1.616	2	106.6012	1.293	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:3:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	H(CC[6a]CC)	105.8760	0.180	2	105.8760	0.032	2	105.8760	0.032	2	105.5897	0.262	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:3:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	H(CC[6a]CC)	105.0170	0.000	1	105.0170	0.000	1	105.0170	0.000	1	105.5897	0.262	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:4:	4:	C[6a]-3:P-4:C-4:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(PC[6a]RhC)(CC[5]CC)(H)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]RhC)(CC[5]CC)(H)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	H(CC[6a]CP)	103.4290	0.000	1	103.4290	0.000	1	103.4290	0.000	1	102.7710	0.866	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	3:4:4:4:	4:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(NC[6a]Al)(CCCN)(CH3)(H)	C(NC[6a]Al)(CCHN)(CH3)2	H(CCCN)	C(NC[6a]Al)(CCCN)(CH3)(H)	C(NC[6a]Al)(CCHN)(CH3)2	H(CCCN)	102.1130	0.000	1	102.1130	0.000	1	102.1130	0.000	1	102.7710	0.866	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	B-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[5]C)(CH3)2(H)	C(CBCH)(H)3	H(CBCC)	C(BC[5]C)(CH3)2(H)	C(CBCH)(H)3	H(CBCC)	106.6833	0.066	4	106.6833	0.004	4	106.6833	0.004	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CN[5]O)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	H(CC3)	C(CN[5]O)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	H(CC3)	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CN[5]O)(CCHO)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CN[5]O)(CCHO)(CF3)(H)	C(CCCH)(F)3	H(CC3)	109.0160	0.277	2	109.0160	0.077	2	109.0160	0.077	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAlH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CAlH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0035	0.059	2	108.0035	0.003	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.8890	0.000	1	108.8890	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.0520	0.000	1	109.0520	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.3810	2.014	2	107.3810	4.056	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.9610	0.000	1	108.9610	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.7116	0.505	7	108.7116	0.255	7	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,6]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.6315	0.384	2	108.6315	0.147	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0447	0.797	4	108.0447	0.635	4	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4427	0.401	19	108.4427	0.161	19	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.5138	0.316	4	107.5138	0.100	4	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.7170	0.000	1	108.7170	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.3849	0.239	8	108.3849	0.057	8	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]2)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]2)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	105.7047	0.582	10	105.7047	0.338	10	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]C[5])(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]C[5])(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.2548	0.409	6	107.2548	0.167	6	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	109.8105	0.030	2	109.8105	0.001	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4929	0.297	12	108.4929	0.088	12	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.6310	0.033	3	109.6310	0.001	3	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6,6]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6,6]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	109.3268	0.080	6	109.3268	0.006	6	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.6351	0.430	8	108.6351	0.185	8	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]N)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]N)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.6680	0.000	2	109.6680	0.000	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]N)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]N)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.4865	0.005	2	106.4865	0.000	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.0255	0.202	6	109.0255	0.041	6	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.8347	0.379	16	108.8347	0.144	16	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]O)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.7610	0.000	1	108.7610	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7142	0.246	4	107.7142	0.060	4	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]Fe)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]Fe)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.7870	0.010	2	106.7870	0.000	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]N)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.4397	0.625	12	107.4397	0.390	12	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.9700	0.320	6	108.9700	0.103	6	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.3755	1.322	13	108.3755	1.747	13	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.9860	0.000	1	108.9860	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0130	0.000	1	108.0130	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4919	0.353	26	108.4919	0.125	26	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]O)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.0550	0.000	1	109.0550	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMoC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CMoC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	105.0070	1.725	2	105.0070	2.977	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.9357	1.001	3	106.9357	1.001	3	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0765	0.643	2	108.0765	0.413	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6113	1.327	3	107.6113	1.760	3	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.4263	1.552	6	108.4263	2.409	6	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.7650	0.000	1	109.7650	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.1753	0.569	11	109.1753	0.324	11	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CCl3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CCl3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.1830	0.000	1	108.1830	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.5752	0.935	10	108.5752	0.874	10	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.7790	0.000	1	107.7790	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.8088	0.313	4	108.8088	0.098	4	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.1600	0.000	1	108.1600	0.000	1	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[6]O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.0044	0.190	5	109.0044	0.036	5	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[6]O)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	110.8425	0.541	2	110.8425	0.293	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRhO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CRhO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	109.1185	0.045	2	109.1185	0.002	2	108.3388	1.130	246	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]F)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[5]F)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	108.7350	0.000	1	108.7350	0.000	1	109.8690	0.965	3	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5]O)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	110.4360	0.042	2	110.4360	0.002	2	109.8690	0.965	3	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]C)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5610	0.000	1	108.5610	0.000	1	110.1277	2.012	24	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	110.3637	1.551	18	110.3637	2.407	18	110.1277	2.012	24	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]O)(NHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]O)(NHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.4200	0.000	1	109.4200	0.000	1	110.1277	2.012	24	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.7700	0.313	3	109.7700	0.098	3	110.1277	2.012	24	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[6]O)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.2270	0.000	1	109.2270	0.000	1	110.1277	2.012	24	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.6710	0.000	1	107.6710	0.000	1	106.3114	0.484	8	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	106.1171	0.461	7	106.1171	0.213	7	106.3114	0.484	8	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C(CC[5]CH)(Cl)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C(CC[5]CH)(Cl)3	H(CC[5]CC)	104.7320	0.000	1	104.7320	0.000	1	104.7320	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]2)(CCHH)(CF3)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	C(C[5]C[5]2)(CCHH)(CF3)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	106.7585	0.039	2	106.7585	0.002	2	106.7585	0.002	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1250	0.000	1	107.1250	0.000	1	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4680	0.037	2	107.4680	0.001	2	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0845	0.016	2	108.0845	0.000	2	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.6107	1.005	6	106.6107	1.011	6	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0481	0.503	9	108.0481	0.253	9	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1735	0.015	2	107.1735	0.000	2	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1709	1.036	16	107.1709	1.072	16	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.9610	0.000	1	105.9610	0.000	1	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.3005	0.216	2	107.3005	0.047	2	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1085	0.332	2	107.1085	0.110	2	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5375	0.587	28	107.5375	0.345	28	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.7064	0.925	5	107.7064	0.855	5	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4190	0.000	1	107.4190	0.000	1	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0970	1.145	589	108.0970	1.311	589	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4130	0.000	1	107.4130	0.000	1	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.2100	0.058	2	108.2100	0.003	2	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4688	0.945	28	107.4688	0.894	28	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]P[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5]P[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0321	0.417	15	108.0321	0.174	15	107.9969	1.246	712	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2)(NAl2C)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]N[5]2)(NAl2C)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C(CC[5a]CH)(F)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C(CC[5a]CH)(F)3	H(CC[5a]CC)	107.3555	0.087	2	107.3555	0.008	2	107.5327	0.107	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(F)3	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(F)3	H(CC[5a]CC)	107.4030	0.000	1	107.4030	0.000	1	107.5327	0.107	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(F)3	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(F)3	H(CC[5a]CC)	108.0170	0.000	1	108.0170	0.000	1	107.5327	0.107	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.5310	0.006	2	107.5310	0.000	2	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	106.5473	0.197	4	106.5473	0.039	4	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	108.0725	1.749	4	108.0725	3.060	4	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.3320	0.000	1	107.3320	0.000	1	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	106.1317	1.218	28	106.1317	1.482	28	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	108.3590	0.000	1	108.3590	0.000	1	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.4970	0.021	2	107.4970	0.000	2	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.8635	0.045	2	107.8635	0.002	2	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.4166	0.541	20	107.4166	0.292	20	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.8000	0.059	2	107.8000	0.004	2	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.5771	1.530	129	107.5771	2.341	129	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	106.6990	0.000	1	106.6990	0.000	1	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	108.1230	0.000	1	108.1230	0.000	1	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.6492	1.187	22	107.6492	1.408	22	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.6670	0.000	1	107.6670	0.000	1	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]N[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.9767	1.261	27	107.9767	1.589	27	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	108.6830	0.000	1	108.6830	0.000	1	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]N[5a]O[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	108.5130	0.620	6	108.5130	0.385	6	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	C(C[5a]N[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	H(CC[5a]CC)	107.5780	0.031	2	107.5780	0.001	2	107.4769	1.969	256	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	107.8520	0.000	1	107.8520	0.000	1	108.0745	0.099	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	108.2970	0.000	1	108.2970	0.000	1	108.0745	0.099	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[5a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	C(CC[5a]HS)(H)3	H(CC[5a]CS)	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	C(CC[5a]HS)(H)3	H(CC[5a]CS)	106.4590	0.197	2	106.4590	0.039	2	106.4590	0.039	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[3x6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	107.5730	0.116	3	107.5730	0.013	3	106.6737	3.900	30	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	106.5738	2.060	27	106.5738	4.245	27	106.6737	3.900	30	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]2)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]2)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	105.3195	3.623	2	105.3195	13.123	2	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.7260	0.000	1	106.7260	0.000	1	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.6728	1.123	12	107.6728	1.261	12	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0390	0.000	1	107.0390	0.000	1	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8015	0.008	2	107.8015	0.000	2	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.2330	0.000	1	107.2330	0.000	1	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.7006	1.088	14	106.7006	1.183	14	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0667	1.453	3	107.0667	2.111	3	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.8340	0.000	1	106.8340	0.000	1	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5002	0.860	391	107.5002	0.740	391	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.3020	0.766	4	107.3020	0.587	4	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.6142	1.424	53	107.6142	2.029	53	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.3210	0.115	4	107.3210	0.013	4	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.0590	0.000	1	108.0590	0.000	1	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.3070	0.000	1	109.3070	0.000	1	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5438	0.140	4	107.5438	0.020	4	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.4670	0.000	1	107.4670	0.000	1	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.0044	0.946	10	108.0044	0.895	10	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]N[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8205	0.030	2	107.8205	0.001	2	107.4930	0.945	508	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.0080	0.000	1	108.0080	0.000	1	108.0080	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.8942	0.165	4	108.8942	0.027	4	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.0920	0.000	1	106.0920	0.000	1	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.7280	0.000	1	106.7280	0.000	1	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.9990	0.147	2	108.9990	0.022	2	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	105.2950	0.038	2	105.2950	0.001	2	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.5030	1.608	2	109.5030	2.586	2	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.5883	0.597	4	106.5883	0.357	4	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.2053	0.061	4	109.2053	0.004	4	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	105.5790	0.000	1	105.5790	0.000	1	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.8515	1.612	4	107.8515	2.599	4	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.9400	1.680	3	107.9400	2.823	3	107.8561	2.444	28	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6]-3:O-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.1145	0.060	2	108.1145	0.004	2	108.1145	0.004	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:Br-1:Br-1:Br-1:	C-4:	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C(CC[6a]CH)(Br)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C(CC[6a]CH)(Br)3	H(CC[6a]CC)	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C(CC[6a]CH)(Cl)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C(CC[6a]CH)(Cl)2(H)	H(CC[6a]CC)	106.8337	0.844	4	106.8337	0.712	4	106.8337	0.712	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	107.2130	0.000	1	107.2130	0.000	1	107.4878	2.205	9	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	108.1550	1.594	5	108.1550	2.541	5	107.4878	2.205	9	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(CC[6a]CH)(F)3	H(CC[6a]CC)	106.4673	1.013	3	106.4673	1.026	3	107.4878	2.205	9	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.3591	1.014	10	107.3591	1.028	10	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.4720	0.095	2	106.4720	0.009	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.3889	3.681	25	106.3889	13.547	25	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.6212	0.200	6	106.6212	0.040	6	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.9349	0.903	9	106.9349	0.816	9	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.7430	0.037	2	107.7430	0.001	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.1918	1.029	52	107.1918	1.059	52	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.6360	0.337	3	107.6360	0.114	3	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.2052	0.909	56	107.2052	0.827	56	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	110.3100	0.000	1	110.3100	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.4150	0.177	2	107.4150	0.031	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.6550	0.000	1	106.6550	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.3710	0.000	1	108.3710	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.0200	0.000	1	106.0200	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.0921	1.000	8	108.0921	1.000	8	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.4515	0.275	2	107.4515	0.076	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.3287	0.890	39	107.3287	0.793	39	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.9271	1.469	7	106.9271	2.157	7	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.0856	0.378	5	107.0856	0.143	5	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.3710	0.000	1	107.3710	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.9320	0.000	1	107.9320	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.3485	1.299	2	107.3485	1.687	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	105.3235	0.121	2	105.3235	0.015	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.5760	0.000	1	106.5760	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	105.5560	0.000	1	105.5560	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.7455	0.124	2	107.7455	0.015	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.0770	0.120	2	107.0770	0.014	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.3060	0.000	1	106.3060	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.3070	0.000	1	107.3070	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.8701	0.461	14	107.8701	0.213	14	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.4973	0.286	3	107.4973	0.082	3	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.9745	0.330	2	107.9745	0.109	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.6361	0.914	33608	107.6361	0.835	33608	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.1465	0.598	4	107.1465	0.358	4	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.4750	0.226	3	107.4750	0.051	3	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.8830	0.000	1	107.8830	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.3145	0.984	2	107.3145	0.967	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.4510	0.000	1	107.4510	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.8620	0.000	1	106.8620	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CNiOO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CNiOO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	109.2485	0.846	2	109.2485	0.716	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CPbHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CPbHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.5955	0.491	2	107.5955	0.242	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.1375	1.097	2	107.1375	1.203	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CRuOO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CRuOO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.9970	0.000	1	106.9970	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	104.7990	0.000	1	104.7990	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.5710	0.000	1	107.5710	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	109.1770	1.272	3	109.1770	1.617	3	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.8452	0.999	29	107.8452	0.998	29	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]O[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]O[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.4832	0.262	5	107.4832	0.069	5	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.8461	1.085	7	106.8461	1.176	7	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.9500	0.000	1	106.9500	0.000	1	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]N[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]N[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	108.9090	0.006	2	108.9090	0.000	2	107.6326	0.847	33941	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(CC[6a]CH)(H)2(I)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(CC[6a]CH)(H)2(I)	H(CC[6a]CC)	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.7110	0.436	2	106.7110	0.190	2	107.8504	1.129	265	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.3346	1.018	9	108.3346	1.035	9	107.8504	1.129	265	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.2110	1.382	4	106.2110	1.909	4	107.8504	1.129	265	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(CH3)(NH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.8683	1.038	250	107.8683	1.078	250	107.8504	1.129	265	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C(CC[6a]HP)(H)3	H(CC[6a]CP)	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C(CC[6a]HP)(H)3	H(CC[6a]CP)	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	C(CC[6a]C[3]H)(H)3	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	C(CC[6a]C[3]H)(H)3	H(CC[6a]C[3]C)	106.7090	1.660	2	106.7090	2.757	2	106.7090	2.757	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	106.6176	0.635	5	106.6176	0.403	5	106.6176	0.403	5	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:Ge-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	C(CC[6a]GeH)(H)3	H(CC[6a]GeC)	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	C(CC[6a]GeH)(H)3	H(CC[6a]GeC)	106.1780	0.000	1	106.1780	0.000	1	106.1780	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.0775	0.023	2	108.0775	0.001	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.6010	1.274	2	107.6010	1.624	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NCoHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NCoHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.1225	0.596	2	108.1225	0.355	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NIrHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NIrHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.8633	3.372	3	106.8633	11.368	3	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPdCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	109.1897	0.350	50	109.1897	0.122	50	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.6037	1.130	8	108.6037	1.276	8	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPtCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPtCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	109.2031	0.448	14	109.2031	0.201	14	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NPtHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NPtHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.9020	0.215	2	107.9020	0.046	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NRu2H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NRu2H)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.1180	2.749	2	107.1180	7.558	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(NRuHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a,6a]C[6a])(NRuHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	109.4677	0.439	7	109.4677	0.193	7	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NAlHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NAlHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.2740	0.000	1	107.2740	0.000	1	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.8860	0.000	1	107.8860	0.000	1	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.9615	1.722	2	108.9615	2.965	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.9795	1.796	13	108.9795	3.224	13	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.0318	0.505	4	106.0318	0.255	4	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.1037	0.189	4	108.1037	0.036	4	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.1200	0.357	4	108.1200	0.127	4	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6]IrH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6]IrH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.1010	0.409	2	106.1010	0.167	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCoHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCoHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.6377	0.730	3	107.6377	0.532	3	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCuCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.9210	0.000	1	107.9210	0.000	1	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCuHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCuHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.6349	0.418	8	107.6349	0.175	8	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NIrCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NIrCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.7845	0.383	2	107.7845	0.146	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NLi2C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLi2C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.4613	0.361	11	107.4613	0.130	11	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NLi2P)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NLi2P)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.0220	0.280	2	108.0220	0.078	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NMg2C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMg2C)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.5145	0.052	2	107.5145	0.003	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.4218	0.922	10	107.4218	0.850	10	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.7348	1.937	62	107.7348	3.751	62	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPdCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.9090	0.418	3	106.9090	0.175	3	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.6244	1.343	61	108.6244	1.804	61	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPtCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPtCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.9710	0.269	2	108.9710	0.072	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.5578	0.920	15	108.5578	0.846	15	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.4365	0.852	2	108.4365	0.726	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	104.7265	2.948	4	104.7265	8.691	4	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NRuHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	108.0890	0.000	1	108.0890	0.000	1	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NZnCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnCC)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	106.2820	0.089	2	106.2820	0.008	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NZnCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnCH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	107.4395	0.087	2	107.4395	0.008	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NZnHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NZnHH)(CH3)(H)	C(CC[6a]HN)(H)3	H(CC[6a]CN)	112.3020	2.039	2	112.3020	4.159	2	108.2898	2.351	318	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N[4]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	C(CC[6a]N[4]H)(H)3	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	C(CC[6a]N[4]H)(H)3	H(CC[6a]N[4]C)	106.5750	0.000	1	106.5750	0.000	1	106.5750	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:N[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	106.5580	0.000	1	106.5580	0.000	1	106.5580	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(CH3)(H)	C(CC[6a]HP)(H)3	H(CC[6a]CP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(CH3)(H)	C(CC[6a]HP)(H)3	H(CC[6a]CP)	110.3140	0.000	1	110.3140	0.000	1	108.8604	5.048	12	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C(CC[6a]HP)(H)3	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	C(CC[6a]HP)(H)3	H(CC[6a]CP)	108.7283	2.307	11	108.7283	5.322	11	108.8604	5.048	12	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	108.1480	0.000	1	108.1480	0.000	1	107.8022	0.089	13	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	107.5838	0.186	5	107.5838	0.035	5	107.8022	0.089	13	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	C(CC[6a]HS)(H)3	H(CC[6a]CS)	107.9089	0.285	7	107.9089	0.081	7	107.8022	0.089	13	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C(CC[6a]SiH)(H)3	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	C(CC[6a]SiH)(H)3	H(CC[6a]SiC)	107.1423	1.695	3	107.1423	2.873	3	106.9166	1.546	5	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C(CC[6a]SiH)(H)3	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	C(CC[6a]SiH)(H)3	H(CC[6a]SiC)	106.4090	0.000	1	106.4090	0.000	1	106.9166	1.546	5	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C(CC[6a]SiH)(H)3	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	C(CC[6a]SiH)(H)3	H(CC[6a]SiC)	106.7470	0.000	1	106.7470	0.000	1	106.9166	1.546	5	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	Ga-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaCC)(CH3)2(H)	C(CGaCH)(H)3	H(CGaCC)	C(GaCC)(CH3)2(H)	C(CGaCH)(H)3	H(CGaCC)	105.7558	0.925	4	105.7558	0.856	4	105.7558	0.856	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(Br)(H)2	H(CCCN)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(Br)(H)2	H(CCCN)	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NAlC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NAlC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.3339	2.817	120	108.3339	7.936	120	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NAlP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NAlP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.7422	0.780	4	107.7422	0.608	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NAuC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NAuC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4105	0.069	4	108.4105	0.005	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	105.5545	2.167	63	105.5545	4.695	63	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[4,4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[4,4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.1713	1.331	4	108.1713	1.771	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.5297	0.965	23	106.5297	0.931	23	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.3924	1.209	44	106.3924	1.461	44	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[6,6]C[4])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[6,6]C[4])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.8480	0.008	2	106.8480	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[6,6]C[5a])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[6,6]C[5a])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.9295	0.022	2	106.9295	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.4547	1.204	27	106.4547	1.449	27	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[6a]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[6a]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.8080	1.618	4	106.8080	2.618	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3017	0.543	244	107.3017	0.295	244	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.0906	0.784	49	106.0906	0.614	49	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[4]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[4]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.8067	0.197	3	108.8067	0.039	3	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[4a]O)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[4a]O)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5890	0.004	2	107.5890	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.9270	0.000	1	106.9270	0.000	1	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]Al)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5]Al)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5325	0.025	2	107.5325	0.001	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]B)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5]B)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.7293	0.047	4	106.7293	0.002	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.6159	0.631	37	106.6159	0.398	37	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.5062	0.583	28	108.5062	0.340	28	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3449	0.878	7	107.3449	0.772	7	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.6840	0.000	1	106.6840	0.000	1	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4709	0.388	7	108.4709	0.151	7	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]N)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5a]N)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	109.5735	2.357	2	109.5735	5.554	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.7283	0.074	3	107.7283	0.005	3	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]B)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]B)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.7300	0.011	2	107.7300	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.7183	0.236	7	106.7183	0.056	7	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]Cu)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]Cu)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.9770	0.011	2	108.9770	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5033	0.374	7	108.5033	0.140	7	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6559	0.331	18	108.6559	0.110	18	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]Ta)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]Ta)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3495	0.101	2	107.3495	0.010	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]W)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]W)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.2435	0.018	2	107.2435	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.0570	0.680	4	108.0570	0.462	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]Al)(CCCN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]Al)(CCCN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	78.1159	0.000	1	78.1159	0.000	1	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]C)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]C)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.7940	0.000	1	106.7940	0.000	1	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.9325	0.465	12	107.9325	0.217	12	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.1900	1.196	85	107.1900	1.430	85	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	111.8660	2.968	2	111.8660	8.812	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]C[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]C[6])(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	105.6445	0.131	4	105.6445	0.017	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]Ca)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]Ca)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.1605	0.042	2	108.1605	0.002	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	105.7917	1.002	3	105.7917	1.004	3	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.4778	0.093	5	108.4778	0.009	5	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.9136	0.139	5	108.9136	0.019	5	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.1740	0.082	3	107.1740	0.007	3	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4092	0.600	50	108.4092	0.359	50	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.6990	0.000	1	108.6990	0.000	1	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]Sb)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]Sb)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5412	0.350	11	107.5412	0.122	11	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]Zn)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]Zn)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.0549	2.016	10	108.0549	4.063	10	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCaC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCaC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4653	0.165	3	108.4653	0.027	3	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCeC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCeC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.9103	0.336	58	108.9103	0.113	58	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoC)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoC)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	105.6020	1.028	2	105.6020	1.057	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCoC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.3439	1.618	56	108.3439	2.617	56	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3587	1.012	75	107.3587	1.024	75	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCrP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCrP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.2818	0.907	31	108.2818	0.822	31	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCuC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4874	0.900	53	108.4874	0.810	53	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCuP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.5300	1.287	2	108.5300	1.656	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NDyC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NDyC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6658	0.354	26	108.6658	0.125	26	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NErC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NErC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.8232	0.432	17	108.8232	0.187	17	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeC)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NFeC)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.5215	0.164	4	107.5215	0.027	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NFeC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6994	0.519	48	108.6994	0.269	48	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NFeP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.1237	1.392	50	108.1237	1.937	50	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NGaC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NGaC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9340	0.023	4	107.9340	0.001	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NGdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NGdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6902	0.239	22	108.6902	0.057	22	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.4978	1.373	20	106.4978	1.886	20	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NHfC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NHfC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9267	0.941	80	107.9267	0.885	80	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NHfP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NHfP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9330	0.665	2	107.9330	0.442	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NIrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NIrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4459	0.983	125	108.4459	0.967	125	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NIrP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NIrP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3620	1.805	2	107.3620	3.256	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NLiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.9491	0.288	15	108.9491	0.083	15	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLiP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NLiP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.3897	0.283	6	108.3897	0.080	6	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMgC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMgC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6970	1.133	48	108.6970	1.283	48	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMgSi)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMgSi)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3942	0.573	5	107.3942	0.329	5	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMnC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMnC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5090	0.932	4	107.5090	0.868	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMnP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMnP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.2440	0.972	6	108.2440	0.945	6	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMoC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMoC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.6608	0.987	48	107.6608	0.974	48	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNb[3,3]P)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNb[3,3]P)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.7870	0.738	2	107.7870	0.545	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.7233	0.338	25	108.7233	0.115	25	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNdP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNdP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9293	0.346	12	107.9293	0.120	12	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiC)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiC)(CC3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.1429	0.327	26	106.1429	0.107	26	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.1493	1.257	6	106.1493	1.580	6	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNiP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6202	0.190	6	108.6202	0.036	6	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[3]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NP[3]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.4748	1.033	4	107.4748	1.067	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4473	2.290	17	108.4473	5.246	17	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.6317	1.112	16	106.6317	1.238	16	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[5]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NP[5]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.7070	0.004	2	108.7070	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.2313	0.383	7	108.2313	0.146	7	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.0553	0.268	24	108.0553	0.072	24	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NPdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8890	0.673	41	107.8890	0.452	41	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRhC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NRhC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.5156	1.693	7	106.5156	2.866	7	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRhP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NRhP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.2870	0.928	2	107.2870	0.861	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRuC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NRuC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.6183	0.759	31	107.6183	0.576	31	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSbC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSbC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.5430	0.006	2	108.5430	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NScC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NScC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6360	0.244	26	108.6360	0.059	26	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.9673	0.947	26	106.9673	0.898	26	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSiZn)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSiZn)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8045	0.374	2	107.8045	0.140	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSi[4,5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSi[4,5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.0475	0.016	2	106.0475	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.6652	0.449	6	106.6652	0.202	6	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	102.1957	6.883	16	102.1957	47.376	16	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSnC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSnC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8304	1.140	31	107.8304	1.300	31	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.7318	0.464	4	108.7318	0.216	4	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTaC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NTaC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3851	1.258	88	107.3851	1.583	88	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTaP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NTaP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8932	1.462	5	107.8932	2.137	5	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NThC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NThC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5543	2.746	87	107.5543	7.540	87	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTi2)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NTi2)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8655	0.047	2	107.8655	0.002	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NTiC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8130	1.518	198	107.8130	2.305	198	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTiP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NTiP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.0300	0.014	2	107.0300	0.000	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NYbC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NYbC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.5208	0.568	20	108.5208	0.322	20	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NZnC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.7876	0.633	62	108.7876	0.400	62	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NZnP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9875	0.026	2	107.9875	0.001	2	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NZrC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.0759	0.863	107	108.0759	0.745	107	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZrP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NZrP)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9133	0.422	6	107.9133	0.178	6	107.7255	2.946	2660	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3]C[3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	H(CN[3]CC)	C(N[3]C[3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	H(CN[3]CC)	104.8000	0.023	2	104.8000	0.001	2	107.6230	1.961	20	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3]Nb[3,3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	H(CN[3]CC)	C(N[3]Nb[3,3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	H(CN[3]CC)	107.6097	1.217	4	107.6097	1.482	4	107.6230	1.961	20	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	H(CN[3]CC)	C(N[3]Nb[3x3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	H(CN[3]CC)	108.0301	1.058	14	108.0301	1.120	14	107.6230	1.961	20	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]B[4,6,6]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]B[4,6,6]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.3565	0.006	2	107.3565	0.000	2	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]B[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]B[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.7377	1.156	24	107.7377	1.336	24	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]C[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]C[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.7120	0.000	1	107.7120	0.000	1	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]C[4]2)(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]C[4]2)(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.6344	0.561	12	107.6344	0.315	12	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]C[4]P[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]C[4]P[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.2475	0.036	2	107.2475	0.001	2	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Ga[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Ga[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	108.2290	0.284	3	108.2290	0.081	3	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Ga[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Ga[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	109.2482	0.089	4	109.2482	0.008	4	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Ge[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Ge[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	108.3667	0.532	30	108.3667	0.283	30	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]In[3x4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]In[3x4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	108.5473	0.140	23	108.5473	0.020	23	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]In[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]In[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	108.6382	0.393	4	108.6382	0.154	4	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]In[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]In[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	109.2600	0.027	3	109.2600	0.001	3	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Nb[3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Nb[3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	108.1865	0.016	2	108.1865	0.000	2	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	106.5380	0.973	8	106.5380	0.947	8	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]P[4,6]2)(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]P[4,6]2)(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	108.2715	0.081	4	108.2715	0.007	4	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.4112	0.642	15	107.4112	0.413	15	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.2799	0.985	47	107.2799	0.971	47	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.7955	0.038	4	107.7955	0.001	4	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Si[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Si[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.5784	0.583	24	107.5784	0.340	24	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Si[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	C(N[4]Si[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	H(CN[4]CC)	107.9471	0.554	8	107.9471	0.307	8	107.8071	0.835	220	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.6147	0.293	6	107.6147	0.086	6	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.0151	2.323	19	107.0151	5.398	19	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.6815	0.759	8	107.6815	0.575	8	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.6570	0.000	1	107.6570	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.3350	0.000	1	106.3350	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.9850	3.005	8	106.9850	9.028	8	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.1130	0.000	1	108.1130	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	105.7983	1.887	17	105.7983	3.560	17	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.6983	0.119	4	106.6983	0.014	4	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.9956	0.980	488	106.9956	0.960	488	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.2390	0.064	4	108.2390	0.004	4	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	110.1880	1.269	2	110.1880	1.609	2	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.4437	0.749	4	107.4437	0.561	4	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.7780	0.000	1	107.7780	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.5820	0.000	1	107.5820	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CFeHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CFeHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.6660	0.000	1	108.6660	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.1485	1.085	2187	107.1485	1.178	2187	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CIrHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CIrHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	109.6940	0.000	1	109.6940	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2)(CRuHH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.6957	0.914	6	108.6957	0.835	6	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.0265	0.069	2	107.0265	0.005	2	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.4197	1.039	63	108.4197	1.080	63	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	104.2330	0.000	1	104.2330	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.5427	0.475	26	107.5427	0.225	26	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.7270	0.099	2	106.7270	0.010	2	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]Ga[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]Ga[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.6153	0.160	8	108.6153	0.026	8	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.3570	0.000	1	108.3570	0.000	1	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]P[3x5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]P[3x5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.1393	0.288	6	107.1393	0.083	6	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.3150	0.127	8	107.3150	0.016	8	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]P[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]P[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.7595	0.217	4	107.7595	0.047	4	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]Si[3,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]Si[3,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	105.5815	0.035	2	105.5815	0.001	2	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]Si[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]Si[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.6250	0.030	2	107.6250	0.001	2	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.3827	1.262	6	107.3827	1.592	6	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]Si[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]Si[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	107.4035	0.045	2	107.4035	0.002	2	107.1600	1.241	2893	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(H)2(O)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(H)2(O)	H(CN[5]CC)	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5]N[5]H)(H)3	H(CC[5]N[5]C)	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	C(CC[5]N[5]H)(H)3	H(CC[5]N[5]C)	107.0590	1.406	2	107.0590	1.976	2	107.0590	1.976	2	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C(CN[5]HS)(H)3	H(CN[5]CS)	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	C(CN[5]HS)(H)3	H(CN[5]CS)	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C(CN[5a]CH)(Cl)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C(CN[5a]CH)(Cl)(H)2	H(CN[5a]CC)	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]B[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]B[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	106.4177	0.362	3	106.4177	0.131	3	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	107.5004	0.465	5	107.5004	0.216	5	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	108.0100	0.014	2	108.0100	0.000	2	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	106.7279	0.455	8	106.7279	0.207	8	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	106.6505	0.037	2	106.6505	0.001	2	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	106.9207	0.689	3	106.9207	0.475	3	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	107.5402	0.620	81	107.5402	0.385	81	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	107.9100	0.132	2	107.9100	0.017	2	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	108.4450	0.000	1	108.4450	0.000	1	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	107.0765	0.211	2	107.0765	0.045	2	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	107.7981	0.928	33	107.7981	0.861	33	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	107.4880	0.000	1	107.4880	0.000	1	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	108.1428	0.819	19	108.1428	0.670	19	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	108.3245	0.033	2	108.3245	0.001	2	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	108.5010	0.000	1	108.5010	0.000	1	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	C(N[5a]N[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	H(CN[5a]CC)	105.9965	0.022	2	105.9965	0.000	2	107.5839	0.623	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	107.2260	0.000	1	107.2260	0.000	1	108.2860	17.095	6	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	102.0860	0.000	1	102.0860	0.000	1	108.2860	17.095	6	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[5a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	110.1010	3.303	4	110.1010	10.911	4	108.2860	17.095	6	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(Cl)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(Cl)(H)2	H(CN[6]CC)	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.0875	0.229	12	107.0875	0.053	12	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]B[5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]B[5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.0730	0.036	4	107.0730	0.001	4	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.2406	0.545	17	107.2406	0.297	17	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[4,5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[4,5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	106.6415	0.050	2	106.6415	0.003	2	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]As[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6,6a]As[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.4335	0.130	4	107.4335	0.017	4	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.0890	0.731	42	107.0890	0.535	42	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.0613	0.422	3	107.0613	0.178	3	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	106.6591	3.145	121	106.6591	9.889	121	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.3350	0.049	2	107.3350	0.002	2	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	106.9730	0.000	1	106.9730	0.000	1	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	108.2889	0.853	104	108.2889	0.728	104	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	100.9493	5.624	4	100.9493	31.625	4	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]Ga[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]Ga[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	104.8985	0.013	2	104.8985	0.000	2	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	108.6180	0.107	4	108.6180	0.012	4	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.7800	1.888	19	107.7800	3.566	19	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	107.1680	0.168	4	107.1680	0.028	4	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]Si[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]Si[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	104.7675	0.026	2	104.7675	0.001	2	107.2677	5.204	347	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(H)3	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(H)3	H(CN[6a]CC)	107.0143	0.622	4	107.0143	0.386	4	106.4540	1.007	42	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CH3)2(H)	C(CN[6a]CH)(H)3	H(CN[6a]CC)	C(N[6a]C[6a]2)(CH3)2(H)	C(CN[6a]CH)(H)3	H(CN[6a]CC)	106.3950	1.023	38	106.3950	1.047	38	106.4540	1.007	42	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OAl2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OAl2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	103.2894	6.092	39	103.2894	37.109	39	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OAlCr)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OAlCr)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.7213	0.430	6	108.7213	0.185	6	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OAlNi)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OAlNi)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.1500	0.054	2	108.1500	0.003	2	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a]Ir)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a]Ir)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	107.2595	0.274	4	107.2595	0.075	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OC[6a]Ru)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OC[6a]Ru)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.3630	0.565	4	108.3630	0.320	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCaH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OCaH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	107.9970	0.190	5	107.9970	0.036	5	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCoH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OCoH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	107.9013	0.215	9	107.9013	0.046	9	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OCu2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OCu2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.2713	0.229	6	108.2713	0.053	6	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ODyC)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(ODyC)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.7185	0.210	4	109.7185	0.044	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OFe2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OFe2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	107.2044	1.084	8	107.2044	1.174	8	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OLiB)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OLiB)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	109.0490	0.159	4	109.0490	0.025	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMgH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OMgH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.1968	0.294	4	108.1968	0.086	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONbSn)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(ONbSn)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.7653	1.154	4	108.7653	1.331	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONiH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(ONiH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.0292	0.049	4	108.0292	0.002	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OPtB)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OPtB)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	106.6587	0.826	3	106.6587	0.682	3	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OSiZr)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OSiZr)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	107.6617	0.330	3	107.6617	0.109	3	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OSn2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OSn2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	106.6206	2.668	8	106.6206	7.117	8	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OSnH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OSnH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.5708	0.647	4	108.5708	0.418	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OThH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OThH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.2720	0.004	2	108.2720	0.000	2	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTi2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OTi2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	103.8934	4.765	12	103.8934	22.703	12	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTiH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OTiH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	107.9550	0.034	2	107.9550	0.001	2	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZn2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OZn2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.7413	0.329	4	108.7413	0.108	4	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZnH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OZnH)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	104.2860	0.008	2	104.2860	0.000	2	106.3337	17.476	143	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(O[4]In[4,3x5]2)(CH3)2(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	C(O[4]In[4,3x5]2)(CH3)2(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	108.4713	0.165	6	108.4713	0.027	6	108.2110	0.222	10	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	O[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(O[4]In[4]2)(CH3)2(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	C(O[4]In[4]2)(CH3)2(H)	C(CO[4]CH)(H)3	H(CO[4]CC)	107.8205	0.530	4	107.8205	0.281	4	108.2110	0.222	10	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8601	2.038	16	107.8601	4.155	16	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7613	1.399	32	107.7613	1.956	32	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.2539	2.745	8	108.2539	7.535	8	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2)(CBHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	109.3210	1.169	7	109.3210	1.367	7	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.5650	0.000	1	106.5650	0.000	1	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.7760	2.825	8	105.7760	7.979	8	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8921	1.577	297	107.8921	2.488	297	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMoP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.3980	0.023	2	105.3980	0.001	2	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[5]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[5]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.2273	2.100	3	108.2273	4.409	3	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[6]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[6]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.8309	0.178	7	108.8309	0.032	7	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PP[5]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PP[5]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2802	1.862	8	107.2802	3.467	8	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSbP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSbP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	110.0095	0.263	4	110.0095	0.069	4	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSi[4]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSi[4]C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0330	1.842	4	108.0330	3.392	4	107.8837	2.811	397	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]As[5])(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]As[5])(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	109.3080	0.103	4	109.3080	0.011	4	108.5679	3.662	8	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]P[5])(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]P[5])(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	109.4450	0.004	2	109.4450	0.000	2	108.5679	3.662	8	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]P[3,5]C[5])(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]P[3,5]C[5])(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	106.2105	3.280	2	106.2105	10.760	2	108.5679	3.662	8	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	P[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]Se[6]2)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	C(P[6]Se[6]2)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5]O)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5]O)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	107.1530	0.006	2	107.1530	0.000	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5a]O)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5a]O)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.5520	0.004	2	108.5520	0.000	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]B)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]B)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.1462	0.360	5	109.1462	0.130	5	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]Ni)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]Ni)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	106.9185	0.035	2	106.9185	0.001	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]O)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]O)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	107.3605	0.009	2	107.3605	0.000	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]Ru)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]Ru)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	107.1476	0.846	10	107.1476	0.716	10	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCoC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SCoC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	107.6958	1.075	12	107.6958	1.155	12	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCuC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SCuC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.4264	0.679	14	108.4264	0.461	14	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SFe2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SFe2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.0242	0.468	4	109.0242	0.219	4	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SIr2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SIr2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.2149	1.206	18	108.2149	1.454	18	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SMnPt)(CCCH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(SMnPt)(CCCH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	107.5770	0.000	1	107.5770	0.000	1	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SMo2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SMo2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.4456	0.369	8	109.4456	0.136	8	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SMoC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SMoC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.4039	0.205	8	109.4039	0.042	8	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SN[5]N)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SN[5]N)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.7040	0.028	2	109.7040	0.001	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SNi2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SNi2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.1902	0.376	5	109.1902	0.142	5	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SPd2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SPd2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	106.0980	0.206	4	106.0980	0.042	4	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SPdC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SPdC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.2812	1.224	17	108.2812	1.499	17	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SPtC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SPtC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	106.8660	0.205	4	106.8660	0.042	4	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SReC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SReC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	107.7570	0.004	2	107.7570	0.000	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SRh2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SRh2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	106.5400	3.471	12	106.5400	12.045	12	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SRu2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SRu2)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.1983	0.745	17	109.1983	0.554	17	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SSnC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SSnC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.9795	0.015	2	108.9795	0.000	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(STaC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(STaC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.3937	0.121	4	109.3937	0.015	4	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(STeC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(STeC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.3798	0.066	8	109.3798	0.004	8	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(STiC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(STiC)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	109.3520	0.086	2	109.3520	0.007	2	108.3082	2.263	167	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[3]Nb[3,3]S[3])(CH3)2(H)	C(CS[3]CH)(H)3	H(CS[3]CC)	C(S[3]Nb[3,3]S[3])(CH3)2(H)	C(CS[3]CH)(H)3	H(CS[3]CC)	109.4005	0.382	8	109.4005	0.146	8	109.4005	0.146	8	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[5]C[5,6a]B[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	C(S[5]C[5,6a]B[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	107.4335	0.008	2	107.4335	0.000	2	109.2146	0.342	30	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[5]In[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	C(S[5]In[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	109.3859	0.373	16	109.3859	0.139	16	109.2146	0.342	30	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[5]Nb[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	C(S[5]Nb[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	109.2946	0.349	8	109.2946	0.122	8	109.2146	0.342	30	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[5]Nb[5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	C(S[5]Nb[5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	H(CS[5]CC)	109.2597	0.179	4	109.2597	0.032	4	109.2146	0.342	30	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	S[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(CS[6]CH)(H)3	H(CS[6]CC)	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(CS[6]CH)(H)3	H(CS[6]CC)	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	Se-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeFe2)(CCHH)(CH3)(H)	C(CSeCH)(H)3	H(CSeCC)	C(SeFe2)(CCHH)(CH3)(H)	C(CSeCH)(H)3	H(CSeCC)	102.0948	7.808	2	102.0948	60.968	2	105.2599	33.681	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	Se-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SeFe2)(CH3)2(H)	C(CSeCH)(H)3	H(CSeCC)	C(SeFe2)(CH3)2(H)	C(CSeCH)(H)3	H(CSeCC)	108.4250	0.045	2	108.4250	0.002	2	105.2599	33.681	4	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	Si-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.6663	0.808	16	106.6663	0.652	16	106.6238	0.540	20	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:1:1:1:	4:	Si-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]Si[5])(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]Si[5])(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.4537	0.334	4	106.4537	0.112	4	106.6238	0.540	20	107.6194	1.194	43572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.1110	0.000	1	107.1110	0.000	1	108.3267	1.120	3	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]O)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CC[6]O)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	108.8250	0.000	1	108.8250	0.000	1	108.3267	1.120	3	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]O)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]O)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	109.0440	0.000	1	109.0440	0.000	1	108.3267	1.120	3	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SH)(H)2	H(CC3)	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SH)(H)2	H(CC3)	107.8310	0.000	1	107.8310	0.000	1	108.6635	0.353	4	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SS)(H)2	H(CC3)	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SS)(H)2	H(CC3)	108.9410	0.259	3	108.9410	0.067	3	108.6635	0.353	4	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]O)(CHHO)(NCHH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CC[6a]O)(CHHO)(NCHH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	107.6996	0.941	5	107.6996	0.885	5	107.6996	0.885	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C(CC[5a]CH)(OC)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C(CC[5a]CH)(OC)(H)2	H(CC[5a]CC)	106.3385	0.520	2	106.3385	0.270	2	107.5057	0.927	6	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	H(CC[5a]CC)	108.3890	0.000	1	108.3890	0.000	1	107.5057	0.927	6	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OS)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OS)(H)2	H(CC[5a]CC)	108.1240	0.000	1	108.1240	0.000	1	107.5057	0.927	6	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	H(CC[5a]CC)	107.6650	0.000	1	107.6650	0.000	1	107.5057	0.927	6	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	C(CC[5a]CH)(OH)(H)2	H(CC[5a]CC)	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	C(CC[5a]CH)(OH)(H)2	H(CC[5a]CC)	108.1790	0.000	1	108.1790	0.000	1	107.5057	0.927	6	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(OSi)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(OSi)(H)2	H(CC[6]CC)	107.5230	0.000	1	107.5230	0.000	1	107.5230	0.000	1	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:Br-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C(CC[6a]CH)(BrPt)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C(CC[6a]CH)(BrPt)(H)2	H(CC[6a]CC)	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN)(H)2	H(CC[6a]CC)	108.0355	0.023	2	108.0355	0.001	2	107.8330	0.123	3	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(CC[6a]CH)(CN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(CC[6a]CH)(CN)(H)2	H(CC[6a]CC)	107.4280	0.000	1	107.4280	0.000	1	107.8330	0.123	3	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HEu)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HEu)(H)2	H(CC[6a]CC)	108.2410	0.000	1	108.2410	0.000	1	107.8488	0.141	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HNi)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HNi)(H)2	H(CC[6a]CC)	107.8780	0.000	1	107.8780	0.000	1	107.8488	0.141	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HSm)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HSm)(H)2	H(CC[6a]CC)	107.9440	0.137	2	107.9440	0.019	2	107.8488	0.141	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HYb)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HYb)(H)2	H(CC[6a]CC)	107.2370	0.000	1	107.2370	0.000	1	107.8488	0.141	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	108.1100	0.000	1	108.1100	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	108.8990	0.000	1	108.8990	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	105.2110	0.000	1	105.2110	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	105.8000	0.228	2	105.8000	0.052	2	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	106.8170	0.000	1	106.8170	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	107.0787	0.095	3	107.0787	0.009	3	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OC)(H)2	H(CC[6a]CC)	107.4570	0.000	1	107.4570	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	107.2630	0.000	1	107.2630	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OS)(H)2	H(CC[6a]CC)	107.6290	0.000	1	107.6290	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	108.3255	0.513	2	108.3255	0.263	2	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C(CC[6a]CH)(OH)(H)2	H(CC[6a]CC)	108.0480	0.000	1	108.0480	0.000	1	107.2614	1.112	15	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CC[6a]CH)(SC[6a])(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CC[6a]CH)(SC[6a])(H)2	H(CC[6a]CC)	107.9061	0.380	8	107.9061	0.145	8	107.9061	0.145	8	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	106.3990	0.000	1	106.3990	0.000	1	107.6458	0.513	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	108.0257	0.160	3	108.0257	0.026	3	107.6458	0.513	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	107.7530	0.000	1	107.7530	0.000	1	107.6458	0.513	5	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	C(CC[6a]C[3]H)(OC)(H)2	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	C(CC[6a]C[3]H)(OC)(H)2	H(CC[6a]C[3]C)	107.6548	0.181	4	107.6548	0.033	4	107.6548	0.033	4	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	H(CC[6a]CN)	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	H(CC[6a]N[6]C)	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.7590	0.091	2	107.7590	0.008	2	107.0764	2.254	12	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]2)(CHHO)2(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NC[6]2)(CHHO)2(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.5973	0.041	4	106.5973	0.002	4	107.0764	2.254	12	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	105.0870	3.099	2	105.0870	9.601	2	107.0764	2.254	12	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.2090	0.308	4	108.2090	0.095	4	107.0764	2.254	12	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	108.0580	0.000	1	108.0580	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	109.8160	2.027	3	109.8160	4.108	3	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	107.8340	0.000	1	107.8340	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	107.4370	0.000	1	107.4370	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	106.7950	0.000	1	106.7950	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(CN[5]CH)(OH)(H)2	H(CN[5]CC)	108.2430	0.000	1	108.2430	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	107.5450	0.000	1	107.5450	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC)(H)2	H(CN[5]CC)	106.5820	0.000	1	106.5820	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC[5])(H)2	H(CN[5]CC)	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC[5])(H)2	H(CN[5]CC)	106.6040	0.000	1	106.6040	0.000	1	108.0496	2.411	11	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CN[5a]CH)(OH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CN[5a]CH)(OH)(H)2	H(CN[5a]CC)	107.8585	0.103	2	107.8585	0.011	2	107.0400	0.434	8	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CN[5a]CH)(OH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CN[5a]CH)(OH)(H)2	H(CN[5a]CC)	106.9570	0.000	1	106.9570	0.000	1	107.0400	0.434	8	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C(CN[5a]CH)(OH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C(CN[5a]CH)(OH)(H)2	H(CN[5a]CC)	106.7292	0.548	5	106.7292	0.300	5	107.0400	0.434	8	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C(CN[5a]CH)(SC[6a])(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C(CN[5a]CH)(SC[6a])(H)2	H(CN[5a]CC)	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(CN[6]CH)(OH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(CN[6]CH)(OH)(H)2	H(CN[6]CC)	106.1770	0.000	1	106.1770	0.000	1	105.6093	1.713	7	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(OH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(OH)(H)2	H(CN[6]CC)	107.3280	0.051	2	107.3280	0.003	2	105.6093	1.713	7	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHO)2(H)	C(CN[6]CH)(OH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CHHO)2(H)	C(CN[6]CH)(OH)(H)2	H(CN[6]CC)	104.6080	0.108	4	104.6080	0.012	4	105.6093	1.713	7	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CN[6a]CH)(OH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CN[6a]CH)(OH)(H)2	H(CN[6a]CC)	107.5050	0.000	1	107.5050	0.000	1	107.5050	0.000	1	107.4875	1.365	103	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-2:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(CC[6a]CH)(CN)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(CC[6a]CH)(CN)2(H)	H(CC[6a]CC)	107.0215	0.097	2	107.0215	0.009	2	107.0215	0.009	2	106.5932	0.309	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(CC[6a]CH)(OC)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(CC[6a]CH)(OC)2(H)	H(CC[6a]CC)	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	106.5932	0.309	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:2:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-2:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C(CC[6a]C[6]H)(CN)2(H)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C(CC[6a]C[6]H)(CN)2(H)	H(CC[6a]C[6]C)	106.5787	0.502	3	106.5787	0.252	3	106.5787	0.252	3	106.5932	0.309	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:S-2:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a])(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a])(CNO)(H)	H(CC[6a]CC)	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	106.5100	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(SC[6a])(CH3)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(SC[6a])(CH3)(H)	H(CC[6a]CN)	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.0180	0.190	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:2:4:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(SC[6a])(CCHH)(H)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(SC[6a])(CCHH)(H)	H(CN[6]CC)	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	107.0180	0.190	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CB[5]CH)(CCH)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CB[5]CH)(CCH)(H)2	H(CB[5]CC)	104.3450	0.000	1	104.3450	0.000	1	107.9947	5.936	4	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(CB[5]CH)(CNO)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(CB[5]CH)(CNO)(H)2	H(CB[5]CC)	109.2113	0.152	3	109.2113	0.023	3	107.9947	5.936	4	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	C(CB[5]CH)(NCC)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	C(CB[5]CH)(NCC)(H)2	H(CB[5]CC)	109.2780	0.000	1	109.2780	0.000	1	109.2780	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5,6]O)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CC[5,6]O)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	106.7005	0.028	2	106.7005	0.001	2	107.9161	0.772	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	107.7350	0.000	1	107.7350	0.000	1	107.9161	0.772	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[5]O)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	108.2430	0.000	1	108.2430	0.000	1	107.9161	0.772	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CCC)(H)2	H(CC3)	109.1460	0.000	1	109.1460	0.000	1	107.9161	0.772	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]N)(CCHH)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[6a]N)(CCHH)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	108.0015	0.033	2	108.0015	0.001	2	107.9161	0.772	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCN)(H)2	H(CC3)	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCN)(H)2	H(CC3)	108.8010	0.000	1	108.8010	0.000	1	107.9161	0.772	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:O-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)(O)	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)(O)	H(CC3)	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]O)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CC[6a]O)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	H(CC3)	111.8080	0.000	1	111.8080	0.000	1	109.9983	2.650	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCCH)(NCC)(H)2	H(CC3)	109.5340	0.000	1	109.5340	0.000	1	109.9983	2.650	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]O)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CN[5]O)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	H(CC3)	108.6530	0.000	1	108.6530	0.000	1	109.9983	2.650	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5,6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C(CC[5,6]CH)(CCO)(H)2	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C(CC[5,6]CH)(CCO)(H)2	H(CC[5,6]CC)	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	107.1060	0.000	1	107.1060	0.000	1	107.5986	1.210	5	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	108.0560	0.000	1	108.0560	0.000	1	107.5986	1.210	5	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	109.3200	0.000	1	109.3200	0.000	1	107.5986	1.210	5	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	106.7555	0.040	2	106.7555	0.002	2	107.5986	1.210	5	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	106.8110	0.000	1	106.8110	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5a]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5a]O)(H)2	H(CC[5a]CC)	107.4805	0.484	2	107.4805	0.235	2	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	104.7570	0.000	1	104.7570	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	106.3215	0.455	2	106.3215	0.207	2	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	107.6420	0.006	2	107.6420	0.000	2	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CN[5]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CN[5]O)(H)2	H(CC[5a]CC)	107.4600	0.000	1	107.4600	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5]O)(H)2	H(CC[5a]CC)	107.6940	0.000	1	107.6940	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CNO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CNO)(H)2	H(CC[5a]CC)	107.9100	0.000	1	107.9100	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	107.8080	0.000	1	107.8080	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	108.0040	0.000	1	108.0040	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CCO)(H)2	H(CC[5a]CC)	108.0420	0.000	1	108.0420	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]N)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]N)(H)2	H(CC[5a]CC)	105.6760	0.000	1	105.6760	0.000	1	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	H(CC[5a]CC)	108.6220	0.061	2	108.6220	0.004	2	107.3114	1.085	17	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CC[5a]CH)(NOO)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CC[5a]CH)(NOO)(H)2	H(CC[5a]CC)	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C(CC[5a]C[5]H)(CC[5a]O)(H)2	H(CC[5a]C[5]C)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C(CC[5a]C[5]H)(CC[5a]O)(H)2	H(CC[5a]C[5]C)	107.7310	0.000	1	107.7310	0.000	1	107.2015	0.561	2	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C(CC[5a]C[5]H)(CC[5a]O)(H)2	H(CC[5a]C[5]C)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C(CC[5a]C[5]H)(CC[5a]O)(H)2	H(CC[5a]C[5]C)	106.6720	0.000	1	106.6720	0.000	1	107.2015	0.561	2	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C(CC[5a]C[5]H)(NOO)(H)2	H(CC[5a]C[5]C)	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C(CC[5a]C[5]H)(NOO)(H)2	H(CC[5a]C[5]C)	105.8545	0.161	2	105.8545	0.026	2	106.4937	1.238	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C(CC[5a]C[5]H)(NOO)(H)2	H(CC[5a]C[5]C)	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C(CC[5a]C[5]H)(NOO)(H)2	H(CC[5a]C[5]C)	107.7720	0.000	1	107.7720	0.000	1	106.4937	1.238	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[5a]-3:C[6]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C(CC[5a]C[6]H)(NOO)(H)2	H(CC[5a]C[6]C)	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	C(CC[5a]C[6]H)(NOO)(H)2	H(CC[5a]C[6]C)	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	106.6075	1.797	2	106.6075	3.228	2	106.6075	3.228	2	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(NCaC)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(NCaC)(H)2	H(CC[6]CC)	107.3222	0.120	4	107.3222	0.014	4	107.3222	0.014	4	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:C-4:P-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(PO3)(H)	C(CC[6]HP)(COO)(H)2	H(CC[6]CP)	C(C[6]C[6]2)(CCHH)(PO3)(H)	C(CC[6]HP)(COO)(H)2	H(CC[6]CP)	103.0670	0.000	1	103.0670	0.000	1	103.0670	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	H(CC[6]CP)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	H(CC[6]CP)	107.4460	0.000	1	107.4460	0.000	1	107.8563	3.038	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	H(CC[6]CP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	H(CC[6]CP)	106.3550	0.000	1	106.3550	0.000	1	107.8563	3.038	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CNO)(H)2	H(CC[6]CP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C(CC[6]HP)(CNO)(H)2	H(CC[6]CP)	109.7680	0.000	1	109.7680	0.000	1	107.8563	3.038	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	H(CC[6a]CC)	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(F)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(F)2	H(CC[6a]CC)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	107.7850	0.000	1	107.7850	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	106.7680	1.542	3	106.7680	2.379	3	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	106.9460	0.000	1	106.9460	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.0870	0.000	1	108.0870	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	107.5780	0.952	3	107.5780	0.906	3	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	107.4305	0.125	2	107.4305	0.016	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	106.2495	2.717	2	106.2495	7.384	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COS)(H)2	H(CC[6a]CC)	108.7640	0.000	1	108.7640	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	107.5240	0.000	1	107.5240	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	107.1180	0.000	1	107.1180	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CN[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CN[5a]O)(H)2	H(CC[6a]CC)	106.9720	0.000	1	106.9720	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	108.1020	0.000	1	108.1020	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	106.5440	0.000	1	106.5440	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	108.4750	0.000	1	108.4750	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.1230	0.000	1	108.1230	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	106.5000	0.000	1	106.5000	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	108.3960	0.000	1	108.3960	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	107.5315	0.013	2	107.5315	0.000	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	107.2040	0.000	1	107.2040	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	110.5640	0.000	1	110.5640	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	107.2850	0.115	2	107.2850	0.013	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	107.3100	0.000	1	107.3100	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	107.9740	0.000	1	107.9740	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	108.1580	0.000	1	108.1580	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.5784	0.413	14	107.5784	0.170	14	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	108.2120	0.000	1	108.2120	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	106.0160	0.000	1	106.0160	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.3991	1.260	23	107.3991	1.587	23	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCC)(H)2	H(CC[6a]CC)	107.2540	0.000	1	107.2540	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	107.3450	0.000	1	107.3450	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	107.7293	0.737	3	107.7293	0.544	3	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	107.9180	0.300	6	107.9180	0.090	6	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6]O)(H)2	H(CC[6a]CC)	107.6665	0.476	2	107.6665	0.226	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]C)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]C)(H)2	H(CC[6a]CC)	108.0300	0.052	2	108.0300	0.003	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]N)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]N)(H)2	H(CC[6a]CC)	106.7533	0.163	6	106.7533	0.027	6	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	107.7854	0.422	43	107.7854	0.178	43	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	108.0660	0.000	1	108.0660	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	108.0920	0.000	1	108.0920	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	107.5450	0.563	3	107.5450	0.317	3	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	108.0852	0.217	6	108.0852	0.047	6	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COS)(H)2	H(CC[6a]CC)	108.5560	0.000	1	108.5560	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	107.2670	0.127	2	107.2670	0.016	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.2137	0.310	3	107.2137	0.096	3	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	106.8895	0.090	2	106.8895	0.008	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CC[6a]CH)(CN[5]O)(H)2	H(CC[6a]CC)	106.0360	0.000	1	106.0360	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCO)(H)2	H(CC[6a]CC)	106.8510	0.000	1	106.8510	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	107.2435	1.040	4	107.2435	1.082	4	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	106.9150	0.000	1	106.9150	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.7850	1.737	2	107.7850	3.016	2	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	H(CC[6a]CC)	107.7010	0.368	4	107.7010	0.135	4	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	106.2960	0.000	1	106.2960	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	106.0720	0.000	1	106.0720	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CCH)(H)2	H(CC[6a]CC)	107.5830	0.000	1	107.5830	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	107.7143	0.471	4	107.7143	0.222	4	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.5850	0.000	1	107.5850	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	107.8600	0.000	1	107.8600	0.000	1	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	H(CC[6a]CC)	108.0650	0.186	4	108.0650	0.035	4	107.5697	0.646	180	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:O-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CC[6a]O)(H)(O)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CC[6a]O)(H)(O)	H(CC[6a]CC)	106.4150	0.000	1	106.4150	0.000	1	106.4150	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C(CC[6a]CH)(NCC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C(CC[6a]CH)(NCC)(H)2	H(CC[6a]CC)	107.5070	0.000	1	107.5070	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	106.5720	0.000	1	106.5720	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.8060	0.000	1	107.8060	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	105.7740	0.000	1	105.7740	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]2)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]2)(H)2	H(CC[6a]CC)	107.7055	0.596	2	107.7055	0.355	2	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.9195	1.245	16	107.9195	1.550	16	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	105.0393	1.900	3	105.0393	3.612	3	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	108.2200	0.000	1	108.2200	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	107.2730	1.024	2	107.2730	1.048	2	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]C)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]C)(H)2	H(CC[6a]CC)	107.7240	0.000	1	107.7240	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	108.1500	0.000	1	108.1500	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.6502	1.173	4	107.6502	1.376	4	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.4065	1.156	4	107.4065	1.336	4	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	107.2070	0.000	1	107.2070	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	108.8140	0.000	1	108.8140	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.2810	0.000	1	107.2810	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C(CC[6a]CH)(NCC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C(CC[6a]CH)(NCC)(H)2	H(CC[6a]CC)	105.6180	0.000	1	105.6180	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.8849	0.477	8	107.8849	0.228	8	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	106.5290	0.000	1	106.5290	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.5570	0.000	1	107.5570	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	108.0730	0.000	1	108.0730	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	107.9880	0.000	1	107.9880	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C(CC[6a]CH)(NCS)(H)2	H(CC[6a]CC)	107.2650	0.000	1	107.2650	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	108.6590	0.000	1	108.6590	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(NHS)(H)2	H(CC[6a]CC)	106.4080	0.000	1	106.4080	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	107.8525	1.544	2	107.8525	2.383	2	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	107.3918	0.625	4	107.3918	0.390	4	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C(CC[6a]CH)(NCC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C(CC[6a]CH)(NCC)(H)2	H(CC[6a]CC)	107.0687	0.171	3	107.0687	0.029	3	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C(CC[6a]CH)(NCH)(H)2	H(CC[6a]CC)	107.5790	0.000	1	107.5790	0.000	1	107.4970	1.257	67	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	108.3090	0.000	1	108.3090	0.000	1	107.9774	0.091	9	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(CCH)(H)2	H(CC[6a]CN)	108.0930	0.000	1	108.0930	0.000	1	107.9774	0.091	9	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	C(CC[6a]HN)(COO)(H)2	H(CC[6a]CN)	107.9136	0.310	7	107.9136	0.096	7	107.9774	0.091	9	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:P-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	H(CC[6a]CP)	107.5390	0.000	1	107.5390	0.000	1	108.0343	0.250	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:P-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	108.2820	0.363	2	108.2820	0.132	2	108.0343	0.250	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[4]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	C(CC[6a]C[4]H)(NOO)(H)2	H(CC[6a]C[4]C)	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	C(CC[6a]C[4]H)(NOO)(H)2	H(CC[6a]C[4]C)	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	106.9477	0.586	3	106.9477	0.343	3	106.9477	0.343	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C(CC[6a]C[5]H)(NHH)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C(CC[6a]C[5]H)(NHH)(H)2	H(CC[6a]C[5]C)	105.7670	0.000	1	105.7670	0.000	1	106.8124	0.276	22	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.7536	0.357	16	106.7536	0.127	16	106.8124	0.276	22	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.2110	0.000	1	107.2110	0.000	1	106.8124	0.276	22	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.2092	0.804	4	107.2092	0.646	4	106.8124	0.276	22	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CCO)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CCO)(H)2	H(CC[6a]C[6]C)	106.4560	1.566	3	106.4560	2.452	3	107.3232	1.344	14	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6]O)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6]O)(H)2	H(CC[6a]C[6]C)	107.9915	0.887	2	107.9915	0.788	2	107.3232	1.344	14	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	107.4320	1.287	6	107.4320	1.657	6	107.3232	1.344	14	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CNS)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CNS)(H)2	H(CC[6a]C[6]C)	107.2730	0.000	1	107.2730	0.000	1	107.3232	1.344	14	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CN[5]O)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CN[5]O)(H)2	H(CC[6a]C[6]C)	107.4880	0.000	1	107.4880	0.000	1	107.3232	1.344	14	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	C(CC[6a]C[6]H)(CCH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	C(CC[6a]C[6]H)(CCH)(H)2	H(CC[6a]C[6]C)	107.8210	0.000	1	107.8210	0.000	1	107.3232	1.344	14	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	106.8474	0.317	5	106.8474	0.101	5	106.9132	1.486	26	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C(CC[6a]C[6]H)(NHS)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C(CC[6a]C[6]H)(NHS)(H)2	H(CC[6a]C[6]C)	107.4370	0.000	1	107.4370	0.000	1	106.9132	1.486	26	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	107.8668	0.447	10	107.8668	0.200	10	106.9132	1.486	26	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	105.6030	0.000	1	105.6030	0.000	1	106.9132	1.486	26	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C(CC[6a]C[6]H)(NCC)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C(CC[6a]C[6]H)(NCC)(H)2	H(CC[6a]C[6]C)	105.9777	1.412	9	105.9777	1.994	9	106.9132	1.486	26	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:Ge-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C(CC[6a]GeH)(COO)(H)2	H(CC[6a]GeC)	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	C(CC[6a]GeH)(COO)(H)2	H(CC[6a]GeC)	104.8740	2.984	2	104.8740	8.904	2	104.8740	8.904	2	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Cu)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Cu)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	108.1475	0.866	2	108.1475	0.750	2	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	H(CC[6a]CP)	109.8460	0.000	1	109.8460	0.000	1	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	108.0005	0.011	2	108.0005	0.000	2	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	107.7270	0.000	2	107.7270	0.000	2	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	109.3869	2.015	10	109.3869	4.062	10	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(CC[6a]HP)(CNO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(CC[6a]HP)(CNO)(H)2	H(CC[6a]CP)	110.6842	0.123	4	110.6842	0.015	4	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pt)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	109.3118	1.572	5	109.3118	2.471	5	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C(CC[6a]HP)(CHO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C(CC[6a]HP)(CHO)(H)2	H(CC[6a]CP)	106.4410	0.000	1	106.4410	0.000	1	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	106.9800	0.000	1	106.9800	0.000	1	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C(CC[6a]HP)(CRhO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	C(CC[6a]HP)(CRhO)(H)2	H(CC[6a]CP)	104.5885	1.698	2	104.5885	2.882	2	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	108.0040	0.000	1	108.0040	0.000	1	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	H(CC[6a]CP)	106.9982	0.764	4	106.9982	0.584	4	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	H(CC[6a]CP)	107.3515	0.713	2	107.3515	0.509	2	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	105.6630	0.000	1	105.6630	0.000	1	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	H(CC[6a]CP)	107.4050	0.000	1	107.4050	0.000	1	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]PdC)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	106.3365	0.094	2	106.3365	0.009	2	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	H(CC[6a]CP)	106.6510	0.000	1	106.6510	0.000	1	108.2488	3.776	42	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	H(CC[6a]CP)	106.9150	0.000	1	106.9150	0.000	1	107.3255	0.337	2	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	H(CC[6a]CP)	107.7360	0.000	1	107.7360	0.000	1	107.3255	0.337	2	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:Si-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C(CC[6a]SiH)(NHS)(H)2	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	C(CC[6a]SiH)(NHS)(H)2	H(CC[6a]SiC)	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(CCN)(H)2	H(CCCN)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(CCN)(H)2	H(CCCN)	106.6780	0.000	1	106.6780	0.000	1	107.4740	1.181	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	108.6900	0.000	1	108.6900	0.000	1	107.4740	1.181	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	107.8106	0.540	5	107.8106	0.292	5	107.4740	1.181	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(COO)(H)2	H(CCCN)	105.3710	0.000	1	105.3710	0.000	1	107.4740	1.181	8	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]C)(CHHN)2(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(NC[6a]C)(CHHN)2(H)	C(CCHN)(NCH)(H)2	H(CCCN)	106.8723	0.136	6	106.8723	0.019	6	106.8723	0.019	6	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[4]C[4]2)(CCHH)2(H)	C(CN[4]CH)(CC[6a]N)(H)2	H(CN[4]CC)	C(N[4]C[4]2)(CCHH)2(H)	C(CN[4]CH)(CC[6a]N)(H)2	H(CN[4]CC)	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	H(CN[5a]CC)	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	H(CN[5a]CC)	108.5080	0.000	1	108.5080	0.000	1	108.1930	0.265	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(COO)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(COO)(H)2	H(CN[5a]CC)	107.5990	0.000	1	107.5990	0.000	1	108.1930	0.265	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	H(CN[5a]CC)	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	H(CN[5a]CC)	108.4720	0.000	1	108.4720	0.000	1	108.1930	0.265	3	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	107.0960	0.429	3	107.0960	0.184	3	106.8915	0.290	4	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CNO)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CNO)(H)2	H(CN[6]CC)	106.2780	0.000	1	106.2780	0.000	1	106.8915	0.290	4	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(PC[6a]2)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(PC[6a]2)(H)2	H(CN[6]CC)	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	107.5234	1.377	456	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	109.3650	0.000	1	109.3650	0.000	1	109.2470	0.028	2	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	109.1290	0.000	1	109.1290	0.000	1	109.2470	0.028	2	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C(CC[5a]CH)(COO)(NC)(H)	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C(CC[5a]CH)(COO)(NC)(H)	H(CC[5a]CC)	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(CNO)(OH)(H)	H(CC[6]CC)	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(CNO)(OH)(H)	H(CC[6]CC)	106.8470	0.000	1	106.8470	0.000	1	106.8470	0.000	1	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)(CN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)(CN)(H)	H(CC[6a]CC)	106.9780	0.000	1	106.9780	0.000	1	106.9780	0.000	1	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CC[6a]CH)(CCH)(OSi)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CC[6a]CH)(CCH)(OSi)(H)	H(CC[6a]CC)	107.3800	0.000	1	107.3800	0.000	1	106.5483	1.955	3	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CNS)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CNS)(OH)(H)	H(CC[6a]CC)	107.3310	0.000	1	107.3310	0.000	1	106.5483	1.955	3	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C(CC[6a]CH)(CCH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C(CC[6a]CH)(CCH)(OH)(H)	H(CC[6a]CC)	104.9340	0.000	1	104.9340	0.000	1	106.5483	1.955	3	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NHS)(CN)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NHS)(CN)(H)	H(CC[6a]CC)	106.1003	1.972	3	106.1003	3.889	3	106.1003	3.889	3	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	H(CC[6a]CN)	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:2:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCH)(OH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCH)(OH)(H)	H(CN[5]CC)	107.4620	0.113	2	107.4620	0.013	2	107.4620	0.013	2	107.1846	1.987	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]C)(CCCH)2(H)	C(CCCH)(CCH)2(H)	H(CC3)	C(CC[6a]C)(CCCH)2(H)	C(CCCH)(CCH)2(H)	H(CC3)	108.2680	0.014	2	108.2680	0.000	2	108.2390	0.007	4	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCCH)(COO)2(H)	H(CC3)	108.3030	0.000	1	108.3030	0.000	1	108.2390	0.007	4	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CN[5]O)(CCCH)2(H)	C(CCCH)(CCH)2(H)	H(CC3)	C(CN[5]O)(CCCH)2(H)	C(CCCH)(CCH)2(H)	H(CC3)	108.1170	0.000	1	108.1170	0.000	1	108.2390	0.007	4	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CC[5a]CH)(CCO)(COO)(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CC[5a]CH)(CCO)(COO)(H)	H(CC[5a]CC)	107.7370	0.000	1	107.7370	0.000	1	107.2655	0.275	6	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	107.3405	0.104	2	107.3405	0.011	2	107.2655	0.275	6	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CC[5a]CH)(CCO)(COO)(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CC[5a]CH)(CCO)(COO)(H)	H(CC[5a]CC)	106.7145	0.540	2	106.7145	0.291	2	107.2655	0.275	6	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C(CC[5a]CH)(COO)2(H)	H(CC[5a]CC)	107.7460	0.000	1	107.7460	0.000	1	107.2655	0.275	6	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C(CC[5a]CH)(COO)(NHS)(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C(CC[5a]CH)(COO)(NHS)(H)	H(CC[5a]CC)	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6]CH)(CNO)(COO)(H)	H(CC[6]CC)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6]CH)(CNO)(COO)(H)	H(CC[6]CC)	107.6950	0.000	1	107.6950	0.000	1	107.8620	0.021	3	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6]C[6]2)(CCCH)2(H)	C(CC[6]CH)(COO)2(H)	H(CC[6]CC)	C(C[6]C[6]2)(CCCH)2(H)	C(CC[6]CH)(COO)2(H)	H(CC[6]CC)	107.9455	0.026	2	107.9455	0.001	2	107.8620	0.021	3	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:F-1:	C-4:	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C(CC[6a]CH)(COO)2(F)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C(CC[6a]CH)(COO)2(F)	H(CC[6a]CC)	107.7740	0.000	1	107.7740	0.000	1	107.7740	0.000	1	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)(COO)(H)	H(CC[6a]CC)	105.4350	0.000	1	105.4350	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	108.2120	0.000	1	108.2120	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5]N)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5]N)(COO)(H)	H(CC[6a]CC)	106.5960	0.000	1	106.5960	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	106.9410	0.000	1	106.9410	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CNO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CNO)2(H)	H(CC[6a]CC)	107.4760	0.000	1	107.4760	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	108.4125	0.353	2	108.4125	0.125	2	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	104.3320	0.000	1	104.3320	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	H(CC[6a]CC)	105.4180	0.216	2	105.4180	0.047	2	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	106.3455	0.069	2	106.3455	0.005	2	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCC)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCC)(COO)(H)	H(CC[6a]CC)	106.9680	0.000	1	106.9680	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCO)2(H)	H(CC[6a]CC)	108.2580	0.000	1	108.2580	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(COO)(H)	H(CC[6a]CC)	108.0395	0.192	2	108.0395	0.037	2	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	H(CC[6a]CC)	107.3705	1.856	2	107.3705	3.445	2	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	107.4740	0.014	2	107.4740	0.000	2	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)2(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)2(H)	C(CC[6a]CH)(COO)2(H)	H(CC[6a]CC)	105.6240	0.000	1	105.6240	0.000	1	106.9506	1.563	21	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:F-1:	C-4:	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C(CC[6a]CH)(COO)(NOO)(F)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C(CC[6a]CH)(COO)(NOO)(F)	H(CC[6a]CC)	108.1400	0.000	1	108.1400	0.000	1	108.1400	0.000	1	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	H(CC[6a]CC)	106.3800	0.000	1	106.3800	0.000	1	106.2180	3.893	3	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	H(CC[6a]CC)	104.1690	0.000	1	104.1690	0.000	1	106.2180	3.893	3	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NHH)(H)	H(CC[6a]CC)	108.1050	0.000	1	108.1050	0.000	1	106.2180	3.893	3	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(NNiC)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(NNiC)(COO)(H)	H(CC[6a]CC)	105.9775	0.745	2	105.9775	0.554	2	105.9775	0.554	2	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(NMoCH)(CCHN)(H)	C(CC[6a]HN)(NMoC)(CNO)(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NMoCH)(CCHN)(H)	C(CC[6a]HN)(NMoC)(CNO)(H)	H(CC[6a]CN)	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Au)(CCCH)(H)	C(CC[6a]HP)(COO)2(H)	H(CC[6a]CP)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Au)(CCCH)(H)	C(CC[6a]HP)(COO)2(H)	H(CC[6a]CP)	107.5050	0.000	1	107.5050	0.000	1	107.6887	14.275	4	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ni)(CCCH)(H)	C(CC[6a]HP)(COO)2(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Ni)(CCCH)(H)	C(CC[6a]HP)(COO)2(H)	H(CC[6a]CP)	110.3940	0.914	2	110.3940	0.835	2	107.6887	14.275	4	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCCH)(H)	C(CC[6a]HP)(COO)2(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCCH)(H)	C(CC[6a]HP)(COO)2(H)	H(CC[6a]CP)	102.4620	0.000	1	102.4620	0.000	1	107.6887	14.275	4	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:S-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	H(CC[6a]CS)	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	H(CCCN)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	H(CCCN)	108.4527	0.084	3	108.4527	0.007	3	108.4527	0.007	3	107.3131	2.142	51	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C(CC[6a]CH)(COO)2(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C(CC[6a]CH)(COO)2(OC)	H(CC[6a]CC)	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:3:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CCC)(CCO)(COO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CCC)(CCO)(COO)	H(CC[6a]CC)	105.6630	0.000	1	105.6630	0.000	1	105.6630	0.000	1	105.6630	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[5]C)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CC[5a]C[5]C)	106.5860	0.000	1	106.5860	0.000	1	106.5860	0.000	1	107.3454	0.897	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	H(CC[6a]CC)	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	107.3454	0.897	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	H(CC[6a]CC)	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	107.3454	0.897	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:4:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	H(CN[5]CC)	106.2300	0.000	1	106.2300	0.000	1	106.2300	0.000	1	107.3454	0.897	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:3:4:1:	4:	S-3:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(SMnPt)(CCCH)(CH3)(H)	C(CCHS)(CMnO)(CH3)(H)	H(CCCS)	C(SMnPt)(CCCH)(CH3)(H)	C(CCHS)(CMnO)(CH3)(H)	H(CCCS)	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.3454	0.897	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]C[5]O[5])(CCHH)2(H)	C(CB[5]CH)(CCHH)(H)2	H(CB[5]CC)	C(B[5]C[5]O[5])(CCHH)2(H)	C(CB[5]CH)(CCHH)(H)2	H(CB[5]CC)	108.2115	0.064	2	108.2115	0.004	2	108.1694	0.933	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCHH)2(H)	C(CB[5]CH)(CC3)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CCHH)2(H)	C(CB[5]CH)(CC3)(H)2	H(CB[5]CC)	107.7635	0.989	2	107.7635	0.979	2	108.1694	0.933	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CCHH)2(H)	C(CB[5]CH)(CHHO)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CCHH)2(H)	C(CB[5]CH)(CHHO)(H)2	H(CB[5]CC)	107.7075	1.063	2	107.7075	1.130	2	108.1694	0.933	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(CC[6a]HH)(CB[5]CH)(H)2	H(CB[5]CC)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(CC[6a]HH)(CB[5]CH)(H)2	H(CB[5]CC)	109.8210	0.000	1	109.8210	0.000	1	108.1694	0.933	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.9600	0.000	1	108.9600	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.3165	1.985	2	107.3165	3.940	2	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	107.3545	0.046	2	107.3545	0.002	2	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	112.1850	0.000	1	112.1850	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	107.7630	0.000	1	107.7630	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.8000	0.829	2	108.8000	0.687	2	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.5775	0.090	4	109.5775	0.008	4	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.9650	0.208	5	108.9650	0.043	5	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]N)(CFeCH)(CCHH)(H)	C(CFeCH)(CCCH)(H)2	H(CC3)	C(CC[6a]N)(CFeCH)(CCHH)(H)	C(CFeCH)(CCCH)(H)2	H(CC3)	109.2600	0.000	1	109.2600	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.0163	0.202	3	109.0163	0.041	3	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CC3)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CC3)(H)2	H(CC3)	109.2327	0.366	3	109.2327	0.134	3	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.5523	1.578	6	107.5523	2.490	6	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	108.9745	0.227	4	108.9745	0.051	4	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CHHS)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CHHS)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.1140	0.000	1	109.1140	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.8295	0.858	2	108.8295	0.736	2	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.9600	0.000	1	108.9600	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHI)(H)2	H(CC3)	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHI)(H)2	H(CC3)	107.8045	3.321	2	107.8045	11.031	2	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.9300	0.000	1	108.9300	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	108.4870	0.000	1	108.4870	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.0007	0.261	4	109.0007	0.068	4	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]O)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC3)	C(CN[6]O)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC3)	107.9810	0.000	1	107.9810	0.000	1	108.6864	1.410	48	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(CC3)	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(CC3)	109.0440	0.000	1	109.0440	0.000	1	108.7963	0.287	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(CC3)	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(CC3)	108.7609	0.568	7	108.7609	0.323	7	108.7963	0.287	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C-3:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CC[6a]O)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	C(CC[6a]O)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[4]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCHH)(H)2	H(CC[4]CC)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCHH)(H)2	H(CC[4]CC)	106.9330	0.000	1	106.9330	0.000	1	106.9330	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	106.0028	0.331	6	106.0028	0.109	6	106.1189	0.185	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5,6]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	106.8150	0.000	1	106.8150	0.000	1	106.1189	0.185	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[3]HO)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[3]HO)(CC[5]CH)(H)2	H(CC[5]CC)	107.6630	0.004	2	107.6630	0.000	2	107.1004	0.458	12	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	H(CC[5]CC)	106.1335	0.640	2	106.1335	0.410	2	107.1004	0.458	12	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.0390	0.000	2	107.0390	0.000	2	107.1004	0.458	12	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[5]CC)	106.0090	0.000	1	106.0090	0.000	1	107.1004	0.458	12	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.5630	0.206	3	107.5630	0.042	3	107.1004	0.458	12	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	107.4010	0.000	1	107.4010	0.000	1	107.1004	0.458	12	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.4350	0.000	1	107.4350	0.000	1	107.1004	0.458	12	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	107.0525	0.327	2	107.0525	0.107	2	107.0525	0.107	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	H(CC[5]CC)	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[5]CP)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[5]CP)	106.6625	0.011	2	106.6625	0.000	2	106.6625	0.000	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5]-3:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C(CC[5]HS)(CCHH)(H)2	H(CC[5]CS)	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C(CC[5]HS)(CCHH)(H)2	H(CC[5]CS)	104.9190	0.000	1	104.9190	0.000	1	104.9190	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	106.6757	0.128	3	106.6757	0.016	3	107.3284	0.268	19	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	107.6850	0.000	1	107.6850	0.000	1	107.3284	0.268	19	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	107.6920	0.000	1	107.6920	0.000	1	107.3284	0.268	19	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	107.3870	0.479	10	107.3870	0.229	10	107.3284	0.268	19	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6]HH)(H)2	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6]HH)(H)2	H(CC[5a]CC)	106.6970	0.000	1	106.6970	0.000	1	107.3284	0.268	19	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	C(C[5a]N[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CH3)(H)2	H(CC[5a]CC)	107.9395	0.042	2	107.9395	0.002	2	107.3284	0.268	19	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(CC[5a]CH)(CCHH)(H)2	H(CC[5a]CC)	107.3890	0.000	1	107.3890	0.000	1	107.3284	0.268	19	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:C-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C(CC[5a]HP)(CHHO)(H)2	H(CC[5a]CP)	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C(CC[5a]HP)(CHHO)(H)2	H(CC[5a]CP)	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[5a]-3:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	C(CC[5a]HS)(CH3)(H)2	H(CC[5a]CS)	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	C(CC[5a]HS)(CH3)(H)2	H(CC[5a]CS)	107.9243	0.029	3	107.9243	0.001	3	107.9243	0.001	3	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	108.0670	0.256	2	108.0670	0.066	2	107.6307	0.326	11	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	107.2330	0.000	1	107.2330	0.000	1	107.6307	0.326	11	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6]CC)	107.7140	0.000	1	107.7140	0.000	1	107.6307	0.326	11	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.8530	0.000	1	107.8530	0.000	1	107.6307	0.326	11	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	107.3425	0.827	4	107.3425	0.683	4	107.6307	0.326	11	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	108.0860	0.000	1	108.0860	0.000	1	107.6307	0.326	11	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.5480	0.000	1	107.5480	0.000	1	107.6307	0.326	11	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	H(CC[6a]CC)	106.6640	0.000	1	106.6640	0.000	1	106.6640	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CC[6a]CC)	105.9400	0.000	1	105.9400	0.000	1	107.3163	1.477	3	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CC[6a]CC)	108.0045	0.336	2	108.0045	0.113	2	107.3163	1.477	3	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	106.6030	0.041	2	106.6030	0.002	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.4140	0.000	1	107.4140	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	106.6090	0.000	1	106.6090	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	106.5824	1.188	16	106.5824	1.412	16	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	107.5040	0.000	1	107.5040	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	107.6340	0.000	1	107.6340	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CC)	107.3950	0.000	1	107.3950	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	105.6530	0.000	1	105.6530	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.7610	0.269	2	107.7610	0.072	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	105.2870	0.000	1	105.2870	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CCCO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CCCO)(H)2	H(CC[6a]CC)	107.1920	0.000	1	107.1920	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CC)	107.5010	0.000	1	107.5010	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC[6a]CC)	107.0240	0.000	1	107.0240	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	105.8110	1.717	6	105.8110	2.949	6	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	H(CC[6a]CC)	104.4940	0.000	1	104.4940	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CC[6a]CC)	107.5130	0.186	4	107.5130	0.035	4	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CF3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CF3)(H)2	H(CC[6a]CC)	106.2150	0.000	1	106.2150	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.7373	0.532	6	107.7373	0.283	6	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	106.5950	0.000	1	106.5950	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	H(CC[6a]CC)	108.2740	0.000	1	108.2740	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.0990	0.000	1	108.0990	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(CC[6a]CH)2(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(CC[6a]CH)2(H)2	H(CC[6a]CC)	108.1120	0.000	1	108.1120	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	107.9591	0.396	8	107.9591	0.157	8	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.2410	0.000	1	107.2410	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	107.5590	0.000	1	107.5590	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	107.4981	0.737	20	107.4981	0.543	20	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHN)(H)2	H(CC[6a]CC)	107.0930	0.000	1	107.0930	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6]CC)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6]CC)(H)2	H(CC[6a]CC)	107.7045	0.542	2	107.7045	0.294	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	H(CC[6a]CC)	108.2475	0.012	2	108.2475	0.000	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	106.9854	1.524	66	106.9854	2.323	66	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	106.8750	0.000	1	106.8750	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	106.9522	1.002	4	106.9522	1.005	4	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)2(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)2(H)2	H(CC[6a]CC)	108.2250	0.000	1	108.2250	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	106.9204	2.297	5	106.9204	5.274	5	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(CC[6a]CH)(CC[6]HH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(CC[6a]CH)(CC[6]HH)(H)2	H(CC[6a]CC)	106.4860	0.000	1	106.4860	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	106.9266	0.282	19	106.9266	0.080	19	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	107.5380	0.000	1	107.5380	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(CC[6a]CH)(CC3)(H)2	H(CC[6a]CC)	105.8230	0.184	2	105.8230	0.034	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.0910	0.000	1	108.0910	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	106.5530	0.000	1	106.5530	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	105.5415	0.510	2	105.5415	0.260	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	H(CC[6a]CC)	108.0795	0.071	2	108.0795	0.005	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	107.5687	0.385	3	107.5687	0.148	3	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	H(CC[6a]CC)	107.9590	0.000	1	107.9590	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CC[6a]CH)(CHHN)(H)2	H(CC[6a]CC)	107.4940	0.000	1	107.4940	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.7635	0.385	4	107.7635	0.148	4	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	105.9790	0.000	1	105.9790	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.9550	0.000	1	107.9550	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.4640	0.529	2	108.4640	0.280	2	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.3630	0.000	1	108.3630	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	108.1310	0.000	1	108.1310	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.3250	0.000	1	107.3250	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	104.9020	0.000	1	104.9020	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.2183	0.666	3	108.2183	0.443	3	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CF3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CF3)(H)2	H(CC[6a]CC)	108.9890	0.000	1	108.9890	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCFF)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCFF)(H)2	H(CC[6a]CC)	108.2560	0.000	1	108.2560	0.000	1	107.1266	1.481	215	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NH3)(H)2	H(CC[6a]CC)	107.3219	1.355	19	107.3219	1.835	19	107.2569	1.586	23	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NC[6a]HH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NC[6a]HH)(H)2	H(CC[6a]CC)	107.3510	0.000	1	107.3510	0.000	1	107.2569	1.586	23	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C(CC[6a]CH)(NH3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C(CC[6a]CH)(NH3)(H)2	H(CC[6a]CC)	106.8137	0.772	3	106.8137	0.595	3	107.2569	1.586	23	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(H)2	H(CC[6a]CC)	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CC[6a]CH)(SC[5a]OO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CC[6a]CH)(SC[5a]OO)(H)2	H(CC[6a]CC)	106.7135	1.583	2	106.7135	2.507	2	107.1320	1.009	5	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CC)	107.5830	0.000	1	107.5830	0.000	1	107.1320	1.009	5	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	H(CC[6a]CC)	107.3250	0.950	2	107.3250	0.903	2	107.1320	1.009	5	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C(CC[6a]CH)(SiC3)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C(CC[6a]CH)(SiC3)(H)2	H(CC[6a]CC)	106.7640	0.804	3	106.7640	0.647	3	106.7640	0.647	3	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	H(CC[6a]CC)	106.5064	1.188	5	106.5064	1.412	5	107.1064	1.537	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.6540	0.000	1	107.6540	0.000	1	107.1064	1.537	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	H(CC[6a]CC)	108.3325	0.039	2	108.3325	0.002	2	107.1064	1.537	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.0602	0.466	4	107.0602	0.217	4	107.0602	0.217	4	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C(SiC[6a]CC)(CC[6a]CH)(H)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C(SiC[6a]CC)(CC[6a]CH)(H)2	H(CC[6a]CC)	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CCHH)(H)2	H(CC[6a]CN)	106.9870	0.000	1	106.9870	0.000	1	107.4385	0.408	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CC[6a]HN)(CH3)(H)2	H(CC[6a]CN)	107.8900	0.000	1	107.8900	0.000	1	107.4385	0.408	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:N-4:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CN[6]HH)(NLi2C)(H)	C(N[6]C[6]2Li)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(CN[6]HH)(NLi2C)(H)	C(N[6]C[6]2Li)(CC[6a]HN)(H)2	H(CC[6a]CN)	107.9925	0.213	4	107.9925	0.045	4	107.9925	0.045	4	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:S-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C(CC[6a]HS)(CCHH)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C(CC[6a]HS)(CCHH)(H)2	H(CC[6a]CS)	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:Si-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(H)2	H(CC[6a]SiC)	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(H)2	H(CC[6a]SiC)	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	H(CC[6a]C[3]C)	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CC[6a]C[5]H)(CH3)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CC[6a]C[5]H)(CH3)(H)2	H(CC[6a]C[5]C)	107.6780	0.000	1	107.6780	0.000	1	107.1030	0.661	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CC[6a]C[5]H)(CHHO)(H)2	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CC[6a]C[5]H)(CHHO)(H)2	H(CC[6a]C[5]C)	106.5280	0.000	1	106.5280	0.000	1	107.1030	0.661	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	103.8870	0.000	1	103.8870	0.000	1	106.2739	1.433	9	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CCHH)(H)2	H(CC[6a]C[6]C)	106.3364	0.318	5	106.3364	0.101	5	106.2739	1.433	9	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	H(CC[6a]C[6]C)	107.4010	0.000	1	107.4010	0.000	1	106.2739	1.433	9	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	105.4010	0.000	1	105.4010	0.000	1	106.2739	1.433	9	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	C(CC[6a]C[6]H)(CCrCH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	C(CC[6a]C[6]H)(CCrCH)(H)2	H(CC[6a]C[6]C)	108.0940	0.000	1	108.0940	0.000	1	106.2739	1.433	9	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C(CC[6a]C[6]H)(NCCH)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C(CC[6a]C[6]H)(NCCH)(H)2	H(CC[6a]C[6]C)	106.3120	1.287	5	106.3120	1.657	5	106.2475	1.350	6	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C(CC[6a]C[6]H)(NMgCC)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	C(CC[6a]C[6]H)(NMgCC)(H)2	H(CC[6a]C[6]C)	105.9250	0.000	1	105.9250	0.000	1	106.2475	1.350	6	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N[6]-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	H(CC[6a]C[6]C)	108.9150	2.328	2	108.9150	5.419	2	108.9150	5.419	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CC[6a]CN)	107.5300	0.509	2	107.5300	0.259	2	107.5300	0.259	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NRuHH)(CHHN)(H)	C(CC[6a]HN)(NRuCC)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuHH)(CHHN)(H)	C(CC[6a]HN)(NRuCC)(H)2	H(CC[6a]CN)	107.9370	0.000	1	107.9370	0.000	1	107.9370	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NC[6a]RhH)(CHHP)(H)	C(PC[6a]RhC)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]RhH)(CHHP)(H)	C(PC[6a]RhC)(CC[6a]HN)(H)2	H(CC[6a]CN)	108.1770	0.000	1	108.1770	0.000	1	107.0455	2.561	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(NRuCC)(CHHP)(H)	C(PC[6a]2Ru)(CC[6a]HN)(H)2	H(CC[6a]CN)	C(C[6a]C[6a]2)(NRuCC)(CHHP)(H)	C(PC[6a]2Ru)(CC[6a]HN)(H)2	H(CC[6a]CN)	105.9140	0.000	1	105.9140	0.000	1	107.0455	2.561	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:B-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	H(CC[6a]N[6]C)	106.7540	0.000	1	106.7540	0.000	1	106.7690	0.000	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:B-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	H(CC[6a]N[6]C)	106.7840	0.000	1	106.7840	0.000	1	106.7690	0.000	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[6a]CP)	107.3650	0.000	1	107.3650	0.000	1	106.7894	0.726	5	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CHHO)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CHHO)(H)2	H(CC[6a]CP)	107.1640	0.000	1	107.1640	0.000	1	106.7894	0.726	5	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[6a]CP)	105.2810	0.000	1	105.2810	0.000	1	106.7894	0.726	5	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[6a]CP)	107.0685	0.052	2	107.0685	0.003	2	106.7894	0.726	5	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	C(CC[6a]HP)(SO3)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	C(CC[6a]HP)(SO3)(H)2	H(CC[6a]CP)	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	C(C[5]C[5,6]C[5]Rh)(CC[6a]HP)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	C(C[5]C[5,6]C[5]Rh)(CC[6a]HP)(H)2	H(CC[6a]CP)	105.9355	0.047	2	105.9355	0.002	2	106.3417	0.496	3	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:P-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	C(C[5]C[5]2Rh)(CC[6a]HP)(H)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	C(C[5]C[5]2Rh)(CC[6a]HP)(H)2	H(CC[6a]CP)	107.1540	0.000	1	107.1540	0.000	1	106.3417	0.496	3	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C(CC[6a]HS)(CH3)(H)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C(CC[6a]HS)(CH3)(H)2	H(CC[6a]CS)	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CBHH)(CCHH)(H)	C(BC[6a]3)(CCHN)(H)2	H(CCCN)	C(NC[6a]C)(CBHH)(CCHH)(H)	C(BC[6a]3)(CCHN)(H)2	H(CCCN)	108.4595	0.623	2	108.4595	0.388	2	108.4595	0.388	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(CHHN)(Br)(H)	H(CCCN)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(CHHN)(Br)(H)	H(CCCN)	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	106.9160	0.000	1	106.9160	0.000	1	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.8220	0.115	2	108.8220	0.013	2	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.5100	0.000	1	108.5100	0.000	1	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	108.3100	0.388	4	108.3100	0.151	4	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.3457	0.649	3	108.3457	0.421	3	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	108.3487	0.716	3	108.3487	0.512	3	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CBHH)(CCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]C)(CBHH)(CCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.8195	1.142	2	107.8195	1.304	2	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	106.3550	0.000	1	106.3550	0.000	1	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.9805	0.032	2	107.9805	0.001	2	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	H(CCCN)	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	H(CCCN)	107.9710	0.248	3	107.9710	0.062	3	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.8400	0.000	1	107.8400	0.000	1	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.9915	0.053	2	108.9915	0.003	2	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	H(CCCN)	109.0300	0.000	1	109.0300	0.000	1	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.8260	0.023	2	108.8260	0.001	2	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.1930	0.307	4	108.1930	0.094	4	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[6a]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.8020	0.103	2	109.8020	0.011	2	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.6520	0.000	1	108.6520	0.000	1	108.3370	0.536	35	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N-3:C-4:C-4:H-1:	S-4:C-4:F-1:F-1:	C-4:	C(NC[6a]H)(CClCH)(CFFS)(H)	C(SC[6a]OO)(CCHN)(F)2	H(CCCN)	C(NC[6a]H)(CClCH)(CFFS)(H)	C(SC[6a]OO)(CCHN)(F)2	H(CCCN)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[4]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4]2)(CCHH)2(H)	C(CC[6a]HH)(CN[4]CH)(H)2	H(CN[4]CC)	C(N[4]C[4]2)(CCHH)2(H)	C(CC[6a]HH)(CN[4]CH)(H)2	H(CN[4]CC)	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(CN[5]HH)(H)2	H(CN[5]CC)	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(CN[5]HH)(H)2	H(CN[5]CC)	106.3290	0.000	1	106.3290	0.000	1	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	106.2325	0.026	2	106.2325	0.001	2	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	H(CN[5]CC)	107.6270	0.117	2	107.6270	0.014	2	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	106.3450	0.000	1	106.3450	0.000	1	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	108.0340	0.000	1	108.0340	0.000	1	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	107.3893	3.890	3	107.3893	15.129	3	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	107.3547	0.788	63	107.3547	0.622	63	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	H(CN[5]CC)	106.9524	0.236	5	106.9524	0.056	5	107.2911	0.971	78	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	H(CN[5]CC)	106.7730	0.000	1	106.7730	0.000	1	106.7730	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	H(CN[5]CC)	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	H(CN[5a]CC)	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	H(CN[5a]CC)	106.9007	0.631	3	106.9007	0.398	3	107.0910	0.217	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	H(CN[5a]CC)	107.0485	0.175	2	107.0485	0.031	2	107.0910	0.217	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CCHH)2(H)	C(CN[5a]CH)(CCHH)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCHH)2(H)	C(CN[5a]CH)(CCHH)(H)2	H(CN[5a]CC)	107.0395	0.012	2	107.0395	0.000	2	107.0910	0.217	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(CN[5a]CH)(CH3)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(CN[5a]CH)(CH3)(H)2	H(CN[5a]CC)	107.8500	0.000	1	107.8500	0.000	1	107.0910	0.217	8	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C(CN[5a]CH)(SiC3)(H)2	H(CN[5a]CC)	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C(CN[5a]CH)(SiC3)(H)2	H(CN[5a]CC)	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	106.0187	0.480	4	106.0187	0.230	4	104.5332	7.141	25	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	106.5630	0.000	1	106.5630	0.000	1	104.5332	7.141	25	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	98.8715	1.697	4	98.8715	2.880	4	104.5332	7.141	25	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	H(CN[6]CC)	105.4503	0.704	16	105.4503	0.495	16	104.5332	7.141	25	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CBrHH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CBrHH)(H)2	H(CN[6a]CC)	107.5755	0.194	2	107.5755	0.038	2	106.2978	0.758	30	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CCHH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CCHH)(H)2	H(CN[6a]CC)	106.7285	0.214	2	106.7285	0.046	2	106.2978	0.758	30	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CCHH)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CCHH)(H)2	H(CN[6a]CC)	106.0072	0.968	10	106.0072	0.937	10	106.2978	0.758	30	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CH3)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CH3)(H)2	H(CN[6a]CC)	106.1835	0.724	15	106.1835	0.524	15	106.2978	0.758	30	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CN[6a]CH)(CH3)(H)2	H(CN[6a]CC)	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CN[6a]CH)(CH3)(H)2	H(CN[6a]CC)	107.5030	0.000	1	107.5030	0.000	1	106.2978	0.758	30	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N)(CCHP)(H)2	H(CCCP)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N)(CCHP)(H)2	H(CCCP)	110.4140	0.000	1	110.4140	0.000	1	109.3111	1.424	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N[6])(CCHP)(H)2	H(CCCP)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N[6])(CCHP)(H)2	H(CCCP)	109.4080	0.000	1	109.4080	0.000	1	109.3111	1.424	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2O)(CCHP)(H)2	H(CCCP)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2O)(CCHP)(H)2	H(CCCP)	108.4110	1.369	3	108.4110	1.875	3	109.3111	1.424	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]C)(CCHP)(H)2	H(CCCP)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]C)(CCHP)(H)2	H(CCCP)	110.1350	0.000	1	110.1350	0.000	1	109.3111	1.424	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]H)(CCHP)(H)2	H(CCCP)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]H)(CCHP)(H)2	H(CCCP)	109.9880	0.000	1	109.9880	0.000	1	109.3111	1.424	7	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	H(CCCP)	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	H(CCCP)	106.5510	0.000	1	106.5510	0.000	1	107.5293	0.532	4	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	P-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C)(CCHH)2(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	C(PC[6a]C)(CCHH)2(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	107.8553	0.400	3	107.8553	0.160	3	107.5293	0.532	4	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:1:1:	4:	Se-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SeFe2)(CCHH)(CH3)(H)	C(CSeCH)(CSeHH)(H)2	H(CSeCC)	C(SeFe2)(CCHH)(CH3)(H)	C(CSeCH)(CSeHH)(H)2	H(CSeCC)	102.0670	7.816	2	102.0670	61.094	2	102.0670	61.094	2	107.2425	2.198	630	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CC[3]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	109.0580	0.000	1	109.0580	0.000	1	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CC[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	108.6780	0.000	1	108.6780	0.000	1	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]O)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]O)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OC)(H)	H(CC3)	108.0980	0.000	1	108.0980	0.000	1	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	107.2400	0.000	1	107.2400	0.000	1	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CHHO)(OSi)(H)	H(CC3)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CHHO)(OSi)(H)	H(CC3)	107.5310	0.000	1	107.5310	0.000	1	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	108.8515	0.968	2	108.8515	0.937	2	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	109.3270	1.239	2	109.3270	1.535	2	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	108.3310	0.000	1	108.3310	0.000	1	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	107.8977	1.327	3	107.8977	1.760	3	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	109.5110	0.000	2	109.5110	0.000	2	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCCH)2(OH)(H)	H(CC3)	110.9130	0.000	1	110.9130	0.000	1	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[6]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CN[6]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	106.1810	0.673	2	106.1810	0.453	2	108.4046	1.804	18	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CC)	107.3085	0.199	2	107.3085	0.039	2	107.0780	0.179	3	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(CC[5]CH)(CCHH)(OC)(H)	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(CC[5]CH)(CCHH)(OC)(H)	H(CC[5]CC)	106.6170	0.000	1	106.6170	0.000	1	107.0780	0.179	3	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	H(CC[5a]CC)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	H(CC[5a]CC)	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	H(CC[6]CC)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	H(CC[6]CC)	106.6830	0.000	1	106.6830	0.000	1	106.5770	0.022	2	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OH)(H)	H(CC[6]CC)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OH)(H)	H(CC[6]CC)	106.4710	0.000	1	106.4710	0.000	1	106.5770	0.022	2	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	H(CC[6a]CC)	107.2350	0.000	1	107.2350	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	H(CC[6a]CC)	108.3260	0.000	1	108.3260	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	H(CC[6a]CC)	105.2070	0.000	1	105.2070	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	H(CC[6a]CC)	107.4070	0.000	1	107.4070	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	H(CC[6a]CC)	107.2760	0.000	1	107.2760	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OC)(H)	H(CC[6a]CC)	107.0380	0.000	1	107.0380	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CC[6a]CH)(CCCH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CC[6a]CH)(CCCH)(OH)(H)	H(CC[6a]CC)	107.1700	0.000	1	107.1700	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	H(CC[6a]CC)	105.9880	0.000	1	105.9880	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(CC[6a]CH)(CF3)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(CC[6a]CH)(CF3)(OH)(H)	H(CC[6a]CC)	107.6500	0.000	1	107.6500	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(CC[6a]CH)(CH3)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(CC[6a]CH)(CH3)(OH)(H)	H(CC[6a]CC)	107.2220	0.000	1	107.2220	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OH)(H)	H(CC[6a]CC)	107.5600	0.000	1	107.5600	0.000	1	107.0981	0.700	11	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C(CC[6a]CH)(PO3)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C(CC[6a]CH)(PO3)(OH)(H)	H(CC[6a]CC)	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	106.8295	0.812	4	106.8295	0.659	4	106.3382	0.983	6	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	H(CC[6a]CC)	105.3555	0.211	2	105.3555	0.045	2	106.3382	0.983	6	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	H(CC[6a]CC)	107.7645	0.104	2	107.7645	0.011	2	107.7645	0.011	2	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C(CC[6a]C[6]H)(CH3)(OH)(H)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C(CC[6a]C[6]H)(CH3)(OH)(H)	H(CC[6a]C[6]C)	105.6650	0.000	1	105.6650	0.000	1	105.6650	0.000	1	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	H(CC[6a]CP)	105.4110	0.935	2	105.4110	0.874	2	105.3075	0.306	4	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	H(CC[6a]CP)	105.2350	0.000	1	105.2350	0.000	1	105.3075	0.306	4	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OP)(H)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OP)(H)	H(CC[6a]CP)	105.1730	0.000	1	105.1730	0.000	1	105.3075	0.306	4	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	H(CCCN)	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	H(CCCN)	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(CH3)(OC)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(CH3)(OC)(H)	H(CN[5]CC)	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	107.3102	1.904	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(CN)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(CN)2	H(CC[6a]CC)	107.1370	0.000	1	107.1370	0.000	1	104.4740	14.183	2	104.2620	5.120	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC[6a]CH)(CCHH)(CN)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC[6a]CH)(CCHH)(CN)2	H(CC[6a]CC)	101.8110	0.000	1	101.8110	0.000	1	104.4740	14.183	2	104.2620	5.120	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C-4:P-4:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC[6a]HP)(CH3)(CN)2	H(CC[6a]CP)	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC[6a]HP)(CH3)(CN)2	H(CC[6a]CP)	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	104.2620	5.120	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:2:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C(CC[6a]C[6]H)(CCHH)(CN)2	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C(CC[6a]C[6]H)(CCHH)(CN)2	H(CC[6a]C[6]C)	102.9463	1.399	3	102.9463	1.957	3	102.9463	1.957	3	104.2620	5.120	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:2:2:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(NC[6a]C)(CC3)(CH3)(H)	C(CC[6a]HH)(CCHN)(CN)2	H(CCCN)	C(NC[6a]C)(CC3)(CH3)(H)	C(CC[6a]HH)(CCHN)(CN)2	H(CCCN)	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	104.2620	5.120	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCCH)(CH3)(NOO)(H)	H(CC3)	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCCH)(CH3)(NOO)(H)	H(CC3)	108.2920	0.000	1	108.2920	0.000	1	109.0110	0.543	3	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(NOO)(H)	H(CC3)	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(NOO)(H)	H(CC3)	108.9770	0.000	1	108.9770	0.000	1	109.0110	0.543	3	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CN[5]O)(CCHN)(CH3)(H)	C(CCCH)2(NOO)(H)	H(CC3)	C(CN[5]O)(CCHN)(CH3)(H)	C(CCCH)2(NOO)(H)	H(CC3)	109.7640	0.000	1	109.7640	0.000	1	109.0110	0.543	3	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[4]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCCO)(CCH)(H)	H(CC[4]CC)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCCO)(CCH)(H)	H(CC[4]CC)	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CC[5a]CH)(CCHH)(NOO)(H)	H(CC[5a]CC)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CC[5a]CH)(CCHH)(NOO)(H)	H(CC[5a]CC)	108.3030	0.000	1	108.3030	0.000	1	108.3030	0.000	1	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[5a]-3:C-4:N-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(CC[5a]HN)(CH3)(CCH)(H)	H(CC[5a]CN)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(CC[5a]HN)(CH3)(CCH)(H)	H(CC[5a]CN)	108.1280	0.983	2	108.1280	0.966	2	108.1280	0.966	2	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:B-3:H-1:	C-4:	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	H(CC[6a]CC)	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	104.1200	0.000	1	104.1200	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	H(CC[6a]CC)	107.7450	0.000	1	107.7450	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	H(CC[6a]CC)	105.8160	0.000	1	105.8160	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	108.4990	0.000	1	108.4990	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CNO)(H)	H(CC[6a]CC)	108.1275	0.415	2	108.1275	0.172	2	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	H(CC[6a]CC)	108.0423	0.449	3	108.0423	0.201	3	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CC[6a]CH)(CH3)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CC[6a]CH)(CH3)(COO)(H)	H(CC[6a]CC)	107.1740	0.000	1	107.1740	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	H(CC[6a]CC)	107.7690	0.000	1	107.7690	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	H(CC[6a]CC)	113.5200	0.000	1	113.5200	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	H(CC[6a]CC)	108.3100	0.000	1	108.3100	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(CHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(CHO)(H)	H(CC[6a]CC)	108.2220	0.000	1	108.2220	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	H(CC[6a]CC)	107.8860	0.000	1	107.8860	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	H(CC[6a]CC)	107.6980	0.000	1	107.6980	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(H)	H(CC[6a]CC)	108.1565	0.023	2	108.1565	0.001	2	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(COS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(COS)(H)	H(CC[6a]CC)	108.0500	1.121	2	108.0500	1.258	2	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	H(CC[6a]CC)	106.4100	0.424	3	106.4100	0.180	3	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)2(H)	C(CC[6a]CH)(CCHH)(CNO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)2(H)	C(CC[6a]CH)(CCHH)(CNO)(H)	H(CC[6a]CC)	105.6750	0.000	1	105.6750	0.000	1	107.6858	2.804	24	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	H(CC[6a]CC)	107.8000	0.191	2	107.8000	0.036	2	107.5742	3.135	12	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	H(CC[6a]CC)	108.0970	0.000	1	108.0970	0.000	1	107.5742	3.135	12	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	H(CC[6a]CC)	107.9420	2.980	4	107.9420	8.879	4	107.5742	3.135	12	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	H(CC[6a]CC)	107.3640	1.628	2	107.3640	2.650	2	107.5742	3.135	12	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	H(CC[6a]CC)	106.7230	1.612	2	106.7230	2.599	2	107.5742	3.135	12	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CC[6a]CC)	107.2510	0.000	1	107.2510	0.000	1	107.5742	3.135	12	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:C-3:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	H(CC[6a]CC)	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(CC[6a]C[3]H)(CH3)(NCC)(H)	H(CC[6a]C[3]C)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(CC[6a]C[3]H)(CH3)(NCC)(H)	H(CC[6a]C[3]C)	107.2545	0.132	2	107.2545	0.017	2	107.2545	0.017	2	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C(CC[6a]C[5]H)(CH3)(NOO)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C(CC[6a]C[5]H)(CH3)(NOO)(H)	H(CC[6a]C[5]C)	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C(CC[6a]C[6]H)(CH3)(NOO)(H)	H(CC[6a]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C(CC[6a]C[6]H)(CH3)(NOO)(H)	H(CC[6a]C[6]C)	106.2845	0.544	4	106.2845	0.296	4	106.2845	0.296	4	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	H(CN[5]CC)	107.5775	0.121	2	107.5775	0.015	2	107.5775	0.015	2	107.6235	2.218	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:2:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CC[5a]CH)(CCHH)(COO)(OSi)	H(CC[5a]CC)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CC[5a]CH)(CCHH)(COO)(OSi)	H(CC[5a]CC)	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	107.4423	0.099	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CC[6a]CH)(CH3)(COO)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CC[6a]CH)(CH3)(COO)(OH)	H(CC[6a]CC)	107.4480	0.223	2	107.4480	0.050	2	107.4480	0.050	2	107.4423	0.099	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:2:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C(CC[6a]HN)(CH3)(COO)(OC)	H(CC[6a]CN)	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C(CC[6a]HN)(CH3)(COO)(OC)	H(CC[6a]CN)	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.4423	0.099	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[5a]HH)(CC[6a]CH)(COO)2	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[5a]HH)(CC[6a]CH)(COO)2	H(CC[6a]CC)	106.9990	0.000	1	106.9990	0.000	1	105.6863	4.296	3	104.8120	4.427	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(CCO)(COO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(CCO)(COO)	H(CC[6a]CC)	106.7630	0.000	1	106.7630	0.000	1	105.6863	4.296	3	104.8120	4.427	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(COS)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(COS)	H(CC[6a]CC)	103.2970	0.000	1	103.2970	0.000	1	105.6863	4.296	3	104.8120	4.427	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(NOO)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(NOO)	H(CC[6a]CC)	102.0050	0.000	1	102.0050	0.000	1	103.9377	4.478	3	104.8120	4.427	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	H(CC[6a]CC)	103.6090	0.000	1	103.6090	0.000	1	103.9377	4.478	3	104.8120	4.427	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:3:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(NCN)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(NCN)	H(CC[6a]CC)	106.1990	0.000	1	106.1990	0.000	1	103.9377	4.478	3	104.8120	4.427	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	H(CB[5]CC)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	H(CB[5]CC)	108.6140	0.000	1	108.6140	0.000	1	108.6140	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCH)(CF3)2(F)	H(CC3)	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCH)(CF3)2(F)	H(CC3)	108.0475	0.579	2	108.0475	0.335	2	108.0475	0.335	2	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]N)(CCCH)(CH3)(H)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	H(CC3)	C(CC[6]N)(CCCH)(CH3)(H)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	H(CC3)	105.9870	0.000	2	105.9870	0.000	2	106.9542	0.866	5	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CCHH)(CH3)(H)	H(CC3)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CCHH)(CH3)(H)	H(CC3)	107.3720	0.194	2	107.3720	0.038	2	106.9542	0.866	5	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]O)(CCCH)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CN[5]O)(CCCH)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	108.0530	0.000	1	108.0530	0.000	1	106.9542	0.866	5	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[5]-3:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	C(CC[5]HN)(CH3)2(H)	H(CC[5]CN)	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	C(CC[5]HN)(CH3)2(H)	H(CC[5]CN)	107.0140	0.000	1	107.0140	0.000	1	107.0140	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CC[5a]CH)(CH3)2(H)	H(CC[5a]CC)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CC[5a]CH)(CH3)2(H)	H(CC[5a]CC)	106.6850	0.481	2	106.6850	0.231	2	106.6850	0.231	2	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	H(CC[6]CC)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	H(CC[6]CC)	106.9160	1.393	2	106.9160	1.940	2	106.9160	1.940	2	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6]-3:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C(CC[6]HN)(CH3)2(H)	H(CC[6]CN)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C(CC[6]HN)(CH3)2(H)	H(CC[6]CN)	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(CH3)(H)	H(CC[6a]CC)	108.9400	0.000	1	108.9400	0.000	1	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CC[6a]CC)	106.5980	0.000	1	106.5980	0.000	1	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	107.4655	0.129	2	107.4655	0.017	2	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHN)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHN)(CH3)(H)	H(CC[6a]CC)	106.0691	0.855	11	106.0691	0.730	11	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHO)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHO)2(H)	H(CC[6a]CC)	107.4290	0.000	1	107.4290	0.000	1	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]HH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]HH)(H)	H(CC[6a]CC)	105.9950	0.000	1	105.9950	0.000	1	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	106.4240	0.000	1	106.4240	0.000	1	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	105.2180	0.000	1	105.2180	0.000	1	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(CC[6a]CH)(CH3)2(H)	H(CC[6a]CC)	106.1410	0.000	1	106.1410	0.000	1	106.4218	1.051	20	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NH3)(H)	H(CC[6a]CC)	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	H(CC[6a]CC)	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(CH3)(H)	H(CC[6a]CC)	107.4410	0.000	1	107.4410	0.000	1	107.4410	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	102.9140	0.000	1	102.9140	0.000	1	105.3875	12.236	2	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	H(CC[6a]CC)	107.8610	0.000	1	107.8610	0.000	1	105.3875	12.236	2	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	H(CC[6a]CC)	104.4780	0.587	2	104.4780	0.344	2	105.4412	1.820	4	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	H(CC[6a]CC)	105.5670	0.000	1	105.5670	0.000	1	105.4412	1.820	4	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	H(CC[6a]CC)	107.2420	0.000	1	107.2420	0.000	1	105.4412	1.820	4	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	107.6037	0.384	3	107.6037	0.147	3	107.2853	0.418	6	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C(CC[6a]HN)(CH3)2(H)	H(CC[6a]CN)	106.0780	0.000	1	106.0780	0.000	1	107.2853	0.418	6	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C(CC[6a]HH)2(CC[6a]HN)(H)	H(CC[6a]CN)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C(CC[6a]HH)2(CC[6a]HN)(H)	H(CC[6a]CN)	107.4115	0.032	2	107.4115	0.001	2	107.2853	0.418	6	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:Si-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	H(CC[6a]SiC)	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:Si-4:C-4:H-1:	C-4:Si-4:Si-4:H-1:	C-4:	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	H(CC[6a]SiC)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	H(CC[6a]SiC)	104.9470	0.000	1	104.9470	0.000	1	104.9470	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.1207	0.609	3	108.1207	0.371	3	107.9962	0.780	6	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.4440	0.000	1	106.4440	0.000	1	107.9962	0.780	6	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.5855	0.081	2	108.5855	0.007	2	107.9962	0.780	6	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CHHO)(CH3)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CHHO)(CH3)(H)	H(CN[5]CC)	106.1910	0.000	1	106.1910	0.000	1	107.0698	1.452	5	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	105.6720	0.000	1	105.6720	0.000	1	107.0698	1.452	5	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	H(CN[5]CC)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CN[5]CH)(CCHH)(CH3)(H)	H(CN[5]CC)	107.4735	0.773	2	107.4735	0.597	2	107.0698	1.452	5	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(CN[5]CH)(CH3)2(H)	H(CN[5]CC)	108.5390	0.000	1	108.5390	0.000	1	107.0698	1.452	5	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CN[5a]CH)(CH3)2(H)	H(CN[5a]CC)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CN[5a]CH)(CH3)2(H)	H(CN[5a]CC)	106.9270	0.000	1	106.9270	0.000	1	106.9270	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(CH3)2(H)	H(CN[6]CC)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(CH3)2(H)	H(CN[6]CC)	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:1:	4:	S[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(CS[6]CH)(CH3)2(H)	H(CS[6]CC)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(CS[6]CH)(CH3)2(H)	H(CS[6]CC)	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	106.8176	1.480	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCH)(CCHH)(CH3)(OH)	H(CC3)	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCH)(CCHH)(CH3)(OH)	H(CC3)	107.2210	0.000	1	107.2210	0.000	1	107.6720	1.050	5	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CCHH)(OH)	H(CC3)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CCHH)(OH)	H(CC3)	108.3975	0.419	2	108.3975	0.176	2	107.6720	1.050	5	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CH3)(OC)	H(CC3)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CH3)(OC)	H(CC3)	106.1070	0.000	1	106.1070	0.000	1	107.6720	1.050	5	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CH3)(OH)	H(CC3)	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CH3)(OH)	H(CC3)	108.2370	0.000	1	108.2370	0.000	1	107.6720	1.050	5	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]CH)(CH3)2(OH)	H(CC[5]CC)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]CH)(CH3)2(OH)	H(CC[5]CC)	107.0020	0.000	2	107.0020	0.000	2	107.0020	0.000	2	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CHHO)(CH3)(CN)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CHHO)(CH3)(CN)	H(CC[6a]CC)	106.5680	0.000	1	106.5680	0.000	1	106.5680	0.000	1	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CC[6a]CC)	104.0830	0.000	1	104.0830	0.000	1	104.5194	0.719	7	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CC[6a]CC)	102.9530	0.000	1	102.9530	0.000	1	104.5194	0.719	7	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CC[6a]CC)	104.5265	0.583	2	104.5265	0.340	2	104.5194	0.719	7	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(CC[6a]CH)(CH3)2(OC)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(CC[6a]CH)(CH3)2(OC)	H(CC[6a]CC)	105.1823	0.069	3	105.1823	0.005	3	104.5194	0.719	7	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:2:	4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	H(CC[6a]CC)	106.5530	0.000	1	106.5530	0.000	1	106.5530	0.000	1	106.0701	2.693	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)2(CCH)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)2(CCH)	H(CC[6a]CC)	106.4790	0.000	1	106.4790	0.000	1	106.4790	0.000	1	105.4285	2.479	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CC[6a]CH)(CF3)(CH3)(NHS)	H(CC[6a]CC)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CC[6a]CH)(CF3)(CH3)(NHS)	H(CC[6a]CC)	103.4180	0.000	1	103.4180	0.000	1	103.4180	0.000	1	105.4285	2.479	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(PC[6a]PdC)(CC3)(H)	C(CC[6a]HP)(CH3)2(CCN)	H(CC[6a]CP)	C(C[6a]C[6a]2)(PC[6a]PdC)(CC3)(H)	C(CC[6a]HP)(CH3)2(CCN)	H(CC[6a]CP)	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	105.4285	2.479	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:3:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(CH3)2(CCN)	H(CCCN)	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(CH3)2(CCN)	H(CCCN)	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	105.4285	2.479	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]O)(CHHN)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	C(CC[6a]O)(CHHN)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	102.5800	0.000	1	102.5800	0.000	1	102.5800	0.000	1	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	105.5265	0.146	2	105.5265	0.021	2	105.5265	0.021	2	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	C[6]-3:N-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C(CC[6]HN)(CH3)3	H(CC[6]CN)	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C(CC[6]HN)(CH3)3	H(CC[6]CN)	105.4410	0.000	1	105.4410	0.000	1	105.4410	0.000	1	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(CC[6a]CH)(CH3)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(CC[6a]CH)(CH3)3	H(CC[6a]CC)	106.2567	0.347	3	106.2567	0.120	3	106.4405	0.215	4	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CH3)3	H(CC[6a]CC)	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CH3)3	H(CC[6a]CC)	106.9920	0.000	1	106.9920	0.000	1	106.4405	0.215	4	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:C-4:S-4:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	H(CC[6a]CS)	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	H(CC[6a]CS)	105.9140	0.840	2	105.9140	0.706	2	105.9140	0.706	2	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(NPdCC)(CC3)(H)	C(CC[6a]HN)(CH3)3	H(CC[6a]CN)	C(C[6a]C[6a]2)(NPdCC)(CC3)(H)	C(CC[6a]HN)(CH3)3	H(CC[6a]CN)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)2(CH3)2	H(CCCN)	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)2(CH3)2	H(CCCN)	106.2875	1.040	2	106.2875	1.082	2	106.1802	0.363	38	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]H)(CC3)2(H)	C(CCHN)(CH3)3	H(CCCN)	C(NC[6a]H)(CC3)2(H)	C(CCHN)(CH3)3	H(CCCN)	105.7015	0.108	4	105.7015	0.012	4	106.1802	0.363	38	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	H(CCCN)	C(NCoC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	H(CCCN)	105.5795	0.985	2	105.5795	0.970	2	106.1802	0.363	38	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NFeC)(CC3)(CH3)(H)	C(CCHH)2(CCHN)(CH3)	H(CCCN)	C(NFeC)(CC3)(CH3)(H)	C(CCHH)2(CCHN)(CH3)	H(CCCN)	107.5805	0.226	2	107.5805	0.051	2	106.1802	0.363	38	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NFeC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	H(CCCN)	C(NFeC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	H(CCCN)	107.4245	0.168	2	107.4245	0.028	2	106.1802	0.363	38	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNiC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	H(CCCN)	C(NNiC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	H(CCCN)	106.0884	0.307	26	106.0884	0.094	26	106.1802	0.363	38	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	107.1340	2.085	2	107.1340	4.345	2	106.1787	4.911	3	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:4:4:1:	4:4:4:4:	4:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	H(CN[5]CC)	104.2680	0.000	1	104.2680	0.000	1	106.1787	4.911	3	106.1091	0.808	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:5:4:1:	4:1:1:1:	4:	C[6]-3:C-5:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2)(CCrH3)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2)(CCrH3)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	106.8590	0.212	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:5:4:1:	4:1:1:1:	4:	C[6a]-3:C-5:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CSmH3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CSmH3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	107.3890	0.000	1	107.3890	0.000	1	106.9735	0.345	2	106.8590	0.212	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	3:5:4:1:	4:1:1:1:	4:	C[6a]-3:C-5:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6a]C[6a]2)(CYbH3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	C(C[6a]C[6a]2)(CYbH3)(CH3)(H)	C(CC[6a]CH)(H)3	H(CC[6a]CC)	106.5580	0.000	1	106.5580	0.000	1	106.9735	0.345	2	106.8590	0.212	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:2:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:C-4:	C-4:	C(CCOO)(H)3	C(OC[6a])2(CCHH)(CH3)	H(CCHH)	C(CCOO)(H)3	C(OC[6a])2(CCHH)(CH3)	H(CCHH)	109.4830	0.017	2	109.4830	0.000	2	109.6903	1.506	14	109.6903	1.506	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:2:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:C-4:	C-4:	C(CCOO)(H)3	C(OC[6a])2(CH3)2	H(CCHH)	C(CCOO)(H)3	C(OC[6a])2(CH3)2	H(CCHH)	109.7248	1.331	12	109.7248	1.771	12	109.6903	1.506	14	109.6903	1.506	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:Br-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(Br)(H)2	C(OC[6a])(CBrHH)(H)2	H(CBrCH)	C(CHHO)(Br)(H)2	C(OC[6a])(CBrHH)(H)2	H(CBrCH)	109.3754	0.478	24	109.3754	0.229	24	109.3754	0.229	24	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(Cl)(H)2	C(OC[6,6])(CClHH)(H)2	H(CClCH)	C(CHHO)(Cl)(H)2	C(OC[6,6])(CClHH)(H)2	H(CClCH)	109.0690	0.071	2	109.0690	0.005	2	109.1832	0.135	18	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(Cl)(H)2	C(OC[6a])(CClHH)(H)2	H(CClCH)	C(CHHO)(Cl)(H)2	C(OC[6a])(CClHH)(H)2	H(CClCH)	109.1974	0.388	16	109.1974	0.151	16	109.1832	0.135	18	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:F-1:F-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(F)2(H)	C(OC[6a])(CFFH)(H)2	H(CCFF)	C(CHHO)(F)2(H)	C(OC[6a])(CFFH)(H)2	H(CCFF)	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:F-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(F)(H)2	C(OC[5,6,6])(CFHH)(H)2	H(CCFH)	C(CHHO)(F)(H)2	C(OC[5,6,6])(CFHH)(H)2	H(CCFH)	109.6382	0.236	6	109.6382	0.056	6	109.6876	0.049	8	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:F-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(F)(H)2	C(OC[6a])(CFHH)(H)2	H(CCFH)	C(CHHO)(F)(H)2	C(OC[6a])(CFHH)(H)2	H(CCFH)	109.8360	0.079	2	109.8360	0.006	2	109.6876	0.049	8	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5])(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5])(CH3)(H)2	H(CCHH)	109.4690	0.013	4	109.4690	0.000	4	109.6314	0.351	48	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5a])(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5a])(CH3)(H)2	H(CCHH)	109.4487	0.072	3	109.4487	0.005	3	109.6314	0.351	48	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6])(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6])(CH3)(H)2	H(CCHH)	109.4817	0.606	9	109.4817	0.367	9	109.6314	0.351	48	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a])(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a])(CH3)(H)2	H(CCHH)	109.7710	0.722	25	109.7710	0.521	25	109.6314	0.351	48	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NP[6])(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NP[6])(CH3)(H)2	H(CCHH)	109.4966	0.044	7	109.4966	0.002	7	109.6314	0.351	48	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OB[3,3,5,4x6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OB[3,3,5,4x6])(CH3)(H)2	H(CCHH)	109.3445	4.251	6	109.3445	18.068	6	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OB[5])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OB[5])(CH3)(H)2	H(CCHH)	109.4779	0.090	9	109.4779	0.008	9	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OB[5x3,5x5,20x6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OB[5x3,5x5,20x6])(CH3)(H)2	H(CCHH)	109.4454	0.046	5	109.4454	0.002	5	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OB[6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OB[6])(CH3)(H)2	H(CCHH)	109.5059	0.032	10	109.5059	0.001	10	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[3,6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[3,6])(CH3)(H)2	H(CCHH)	109.4538	0.023	5	109.4538	0.001	5	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[3x6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[3x6])(CH3)(H)2	H(CCHH)	109.4773	0.029	11	109.4773	0.001	11	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[4,6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[4,6])(CH3)(H)2	H(CCHH)	109.5025	0.049	2	109.5025	0.002	2	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[4])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[4])(CH3)(H)2	H(CCHH)	109.4479	0.500	9	109.4479	0.250	9	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[4a])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[4a])(CH3)(H)2	H(CCHH)	109.4635	0.037	27	109.4635	0.001	27	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[5,5])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[5,5])(CH3)(H)2	H(CCHH)	109.6107	0.482	16	109.6107	0.232	16	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[5,6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[5,6])(CH3)(H)2	H(CCHH)	109.4918	0.055	30	109.4918	0.003	30	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[5])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[5])(CH3)(H)2	H(CCHH)	109.5533	0.969	239	109.5533	0.939	239	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[5a])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[5a])(CH3)(H)2	H(CCHH)	109.4682	0.182	74	109.4682	0.033	74	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[6,6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[6,6])(CH3)(H)2	H(CCHH)	109.7011	0.637	39	109.7011	0.406	39	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[6])(CH3)(H)2	H(CCHH)	109.5929	2.249	379	109.5929	5.059	379	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[6a])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[6a])(CH3)(H)2	H(CCHH)	109.5428	0.674	2175	109.5428	0.455	2175	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OGe[5,3x6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OGe[5,3x6])(CH3)(H)2	H(CCHH)	109.4333	0.041	3	109.4333	0.002	3	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ONb[3,4,4,6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ONb[3,4,4,6])(CH3)(H)2	H(CCHH)	109.4479	0.050	8	109.4479	0.002	8	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ONb[6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ONb[6])(CH3)(H)2	H(CCHH)	109.4746	0.045	5	109.4746	0.002	5	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OP[5])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OP[5])(CH3)(H)2	H(CCHH)	109.4575	0.034	11	109.4575	0.001	11	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OP[6])(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OP[6])(CH3)(H)2	H(CCHH)	109.7160	0.842	37	109.7160	0.710	37	109.5489	1.054	3100	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[5,6])(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[5,6])(CH3)(H)2	H(CCHH)	109.4711	0.040	11	109.4711	0.002	11	109.4578	1.348	260	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[5])(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[5])(CH3)(H)2	H(CCHH)	109.2193	1.443	97	109.2193	2.083	97	109.4578	1.348	260	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[5a])(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[5a])(CH3)(H)2	H(CCHH)	109.4703	0.024	32	109.4703	0.001	32	109.4578	1.348	260	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6])(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6])(CH3)(H)2	H(CCHH)	109.6399	0.815	62	109.6399	0.665	62	109.4578	1.348	260	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6a])(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6a])(CH3)(H)2	H(CCHH)	109.6694	1.377	53	109.6694	1.895	53	109.4578	1.348	260	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SGe[4])(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SGe[4])(CH3)(H)2	H(CCHH)	109.4722	0.014	5	109.4722	0.000	5	109.4578	1.348	260	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(H)3	C(SeGe[4])(CH3)(H)2	H(CCHH)	C(CSeHH)(H)3	C(SeGe[4])(CH3)(H)2	H(CCHH)	109.4869	0.041	14	109.4869	0.002	14	109.4869	0.002	14	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:O-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(H)2(O)	C(NC[6a])(CHHO)(H)2	H(CCHO)	C(CHHN)(H)2(O)	C(NC[6a])(CHHO)(H)2	H(CCHO)	109.1830	0.030	2	109.1830	0.001	2	109.1830	0.001	2	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:1:1:	4:	C-4:H-1:H-1:O-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(H)2(O)	C(OC[6])(CHHO)(H)2	H(CCHO)	C(CHHO)(H)2(O)	C(OC[6])(CHHO)(H)2	H(CCHO)	110.7340	0.191	2	110.7340	0.036	2	110.7340	0.036	2	109.5408	1.050	3477	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:2:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:O-2:H-1:	C-4:	C(CHOO)(H)3	C(OC[6a])(CH3)(OC)(H)	H(CCHH)	C(CHOO)(H)3	C(OC[6a])(CH3)(OC)(H)	H(CCHH)	109.4616	0.028	5	109.4616	0.001	5	109.4616	0.001	5	109.4616	0.001	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a])(CH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a])(CH3)(CNO)(H)	H(CCHH)	109.4803	0.037	3	109.4803	0.001	3	109.4573	0.002	11	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a])(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a])(CH3)(COO)(H)	H(CCHH)	109.4486	0.044	8	109.4486	0.002	8	109.4573	0.002	11	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OC[4])(CH3)(CCH)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[4])(CH3)(CCH)(H)	H(CCHH)	109.4483	0.051	3	109.4483	0.003	3	109.4827	0.197	157	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OC[4])(CH3)(CHH)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[4])(CH3)(CHH)(H)	H(CCHH)	109.4337	1.956	3	109.4337	3.824	3	109.4827	0.197	157	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OC[6])(CH3)(CNO)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6])(CH3)(CNO)(H)	H(CCHH)	109.4684	0.045	8	109.4684	0.002	8	109.4827	0.197	157	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OC[6])(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6])(CH3)(COO)(H)	H(CCHH)	109.5125	0.025	2	109.5125	0.001	2	109.4827	0.197	157	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a])(CH3)(CNO)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a])(CH3)(CNO)(H)	H(CCHH)	109.4829	0.069	38	109.4829	0.005	38	109.4827	0.197	157	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a])(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a])(CH3)(COO)(H)	H(CCHH)	109.4861	0.478	101	109.4861	0.229	101	109.4827	0.197	157	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(ON[5])(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(ON[5])(CH3)(COO)(H)	H(CCHH)	109.4585	0.022	2	109.4585	0.000	2	109.4827	0.197	157	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHS)(H)3	C(SC[5])(CH3)(CNO)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5])(CH3)(CNO)(H)	H(CCHH)	109.4603	0.013	3	109.4603	0.000	3	109.4649	0.002	20	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a])(CH3)(CCO)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a])(CH3)(CCO)(H)	H(CCHH)	109.4611	0.022	8	109.4611	0.000	8	109.4649	0.002	20	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:3:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a])(CH3)(CNO)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a])(CH3)(CNO)(H)	H(CCHH)	109.4698	0.057	9	109.4698	0.003	9	109.4649	0.002	20	109.4793	0.165	188	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	Br-2:C-4:C-4:H-1:	C-4:	C(CBrCH)(H)3	C(BrB[5x3,5x5,20x6])(CH3)2(H)	H(CCHH)	C(CBrCH)(H)3	C(BrB[5x3,5x5,20x6])(CH3)2(H)	H(CCHH)	109.4362	0.038	6	109.4362	0.001	6	109.4362	0.001	6	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-1:	C-4:	C(CCCN)(H)3	C(NNb[3x3])(CH3)2(C)	H(CCHH)	C(CCCN)(H)3	C(NNb[3x3])(CH3)2(C)	H(CCHH)	109.4668	0.046	5	109.4668	0.002	5	109.4668	0.002	5	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[3])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[3])(CH3)2(H)	H(CCHH)	109.4925	0.027	4	109.4925	0.001	4	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[4])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[4])(CH3)2(H)	H(CCHH)	109.4915	0.036	13	109.4915	0.001	13	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5])(CH3)2(H)	H(CCHH)	109.5036	0.236	61	109.5036	0.056	61	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5a])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5a])(CH3)2(H)	H(CCHH)	109.4714	0.028	16	109.4714	0.001	16	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6])(CH3)2(H)	H(CCHH)	109.4699	0.041	17	109.4699	0.002	17	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a])(CH3)2(H)	H(CCHH)	109.4621	0.033	10	109.4621	0.001	10	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNb[3,3])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNb[3,3])(CH3)2(H)	H(CCHH)	110.6715	1.257	6	110.6715	1.580	6	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NP[6])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NP[6])(CH3)2(H)	H(CCHH)	109.4832	0.041	5	109.4832	0.002	5	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSi[6])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSi[6])(CH3)2(H)	H(CCHH)	109.4682	0.069	5	109.4682	0.005	5	109.5403	0.143	137	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OB[3,3,5,6])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OB[3,3,5,6])(CH3)2(H)	H(CCHH)	109.4640	0.076	4	109.4640	0.006	4	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OB[6])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OB[6])(CH3)2(H)	H(CCHH)	109.4558	0.032	11	109.4558	0.001	11	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[4,6])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[4,6])(CH3)2(H)	H(CCHH)	109.4647	0.024	4	109.4647	0.001	4	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[4])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[4])(CH3)2(H)	H(CCHH)	109.4466	0.055	11	109.4466	0.003	11	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[4a])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[4a])(CH3)2(H)	H(CCHH)	109.4615	2.022	10	109.4615	4.089	10	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[5])(CCHO)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[5])(CCHO)(CH3)(H)	H(CCHH)	109.4763	0.060	3	109.4763	0.004	3	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[5])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[5])(CH3)2(H)	H(CCHH)	109.4757	0.045	68	109.4757	0.002	68	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6])(CCHH)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6])(CCHH)(CH3)(H)	H(CCHH)	109.4759	0.033	16	109.4759	0.001	16	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6])(CCHO)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6])(CCHO)(CH3)(H)	H(CCHH)	109.4983	0.024	3	109.4983	0.001	3	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6])(CH3)2(H)	H(CCHH)	109.4837	0.076	69	109.4837	0.006	69	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6])(CHHN)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6])(CHHN)(CH3)(H)	H(CCHH)	109.4453	0.015	3	109.4453	0.000	3	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a])(CCHH)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a])(CCHH)(CH3)(H)	H(CCHH)	109.7602	0.897	39	109.7602	0.804	39	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a])(CCHO)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a])(CCHO)(CH3)(H)	H(CCHH)	109.4760	0.035	28	109.4760	0.001	28	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a])(CH3)2(H)	H(CCHH)	109.5980	0.619	504	109.5980	0.383	504	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a])(CHHO)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a])(CHHO)(CH3)(H)	H(CCHH)	109.4717	0.017	3	109.4717	0.000	3	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OGe[6])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OGe[6])(CH3)2(H)	H(CCHH)	109.4835	0.056	6	109.4835	0.003	6	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(ONb[6,6])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(ONb[6,6])(CH3)2(H)	H(CCHH)	109.4504	0.040	11	109.4504	0.002	11	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(ONb[6])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(ONb[6])(CH3)2(H)	H(CCHH)	109.4707	0.058	29	109.4707	0.003	29	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OP[5])(CCHH)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(OP[5])(CCHH)(CH3)(H)	H(CCHH)	109.4646	0.046	7	109.4646	0.002	7	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OP[5])(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OP[5])(CH3)2(H)	H(CCHH)	109.4674	0.052	9	109.4674	0.003	9	109.5616	0.317	838	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[3x3,3x5,12x6])(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[3x3,3x5,12x6])(CH3)2(H)	H(CCHH)	109.4720	0.044	6	109.4720	0.002	6	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[5,6])(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5,6])(CH3)2(H)	H(CCHH)	109.4592	0.033	4	109.4592	0.001	4	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[5])(CCHH)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5])(CCHH)(CH3)(H)	H(CCHH)	109.4762	0.061	17	109.4762	0.004	17	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[5])(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5])(CH3)2(H)	H(CCHH)	109.4782	0.054	35	109.4782	0.003	35	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[5a])(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5a])(CH3)2(H)	H(CCHH)	109.4681	0.031	20	109.4681	0.001	20	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6])(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6])(CH3)2(H)	H(CCHH)	109.4754	0.042	38	109.4754	0.002	38	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a])(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a])(CH3)2(H)	H(CCHH)	109.5555	0.482	97	109.5555	0.233	97	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SN[5])(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SN[5])(CH3)2(H)	H(CCHH)	109.4563	0.020	6	109.4563	0.000	6	109.5092	0.103	223	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:1:	4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:H-1:	C-4:	C(CSeCH)(H)3	C(SeFe)(CH3)2(H)	H(CCHH)	C(CSeCH)(H)3	C(SeFe)(CH3)2(H)	H(CCHH)	109.4893	0.867	12	109.4893	0.752	12	109.4893	0.752	12	109.5479	0.260	1221	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:2:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-2:	C-4:	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)(CC)	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)(CC)	H(CCHH)	109.4765	0.039	16	109.4765	0.002	16	109.4711	0.001	26	109.4715	0.001	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:2:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-2:	C-4:	C(CCCO)(H)3	C(OC[6a])(CH3)2(CC)	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CH3)2(CC)	H(CCHH)	109.4628	0.017	5	109.4628	0.000	5	109.4711	0.001	26	109.4715	0.001	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:2:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-2:	C-4:	C(CCCO)(H)3	C(OC[6a])(CH3)2(CN)	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CH3)2(CN)	H(CCHH)	109.4620	0.037	5	109.4620	0.001	5	109.4711	0.001	26	109.4715	0.001	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:2:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:O-2:	C-4:	C(CCOO)(H)3	C(OC[6])(CH3)2(OC)	H(CCHH)	C(CCOO)(H)3	C(OC[6])(CH3)2(OC)	H(CCHH)	109.4722	0.033	16	109.4722	0.001	16	109.4722	0.001	16	109.4715	0.001	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OC[5])(CH3)2(CCH)	H(CCHH)	C(CCCO)(H)3	C(OC[5])(CH3)2(CCH)	H(CCHH)	109.4498	0.047	5	109.4498	0.002	5	109.3423	2.023	147	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OC[5])(CH3)2(CHH)	H(CCHH)	C(CCCO)(H)3	C(OC[5])(CH3)2(CHH)	H(CCHH)	106.5384	4.750	6	106.5384	22.558	6	109.3423	2.023	147	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)(CCH)	H(CCHH)	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)(CCH)	H(CCHH)	109.4765	0.013	2	109.4765	0.000	2	109.3423	2.023	147	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OC[6a])(CH3)2(CCC)	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CH3)2(CCC)	H(CCHH)	109.4572	0.022	11	109.4572	0.000	11	109.3423	2.023	147	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OC[6a])(CH3)2(CCH)	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CH3)2(CCH)	H(CCHH)	109.4813	0.024	6	109.4813	0.001	6	109.3423	2.023	147	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OC[6a])(CH3)2(CNO)	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CH3)2(CNO)	H(CCHH)	109.4756	0.036	45	109.4756	0.001	45	109.3423	2.023	147	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OC[6a])(CH3)2(COO)	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CH3)2(COO)	H(CCHH)	109.4524	1.370	72	109.4524	1.877	72	109.3423	2.023	147	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SC[6a])(CH3)2(CCO)	H(CCHH)	C(CCCS)(H)3	C(SC[6a])(CH3)2(CCO)	H(CCHH)	109.4828	0.023	5	109.4828	0.001	5	109.4731	0.047	14	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SC[6a])(CH3)2(COO)	H(CCHH)	C(CCCS)(H)3	C(SC[6a])(CH3)2(COO)	H(CCHH)	109.4582	0.020	6	109.4582	0.000	6	109.4731	0.047	14	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SC[6a])(CHHN)(CH3)(COO)	H(CCHH)	C(CCCS)(H)3	C(SC[6a])(CHHN)(CH3)(COO)	H(CCHH)	109.4867	0.552	3	109.4867	0.304	3	109.4731	0.047	14	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:3:	4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:C-3:	C-4:	C(CSeCC)(H)3	C(SeC[6a])(CCHO)(CH3)(COO)	H(CCHH)	C(CSeCC)(H)3	C(SeC[6a])(CCHO)(CH3)(COO)	H(CCHH)	109.4770	0.038	2	109.4770	0.001	2	109.4770	0.001	2	109.3552	1.828	163	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[4,5])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[4,5])(CH3)3	H(CCHH)	109.4503	0.051	7	109.4503	0.003	7	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5])(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[5])(CCHH)(CH3)2	H(CCHH)	109.4764	0.035	14	109.4764	0.001	14	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5])(CH3)3	H(CCHH)	109.6334	0.784	116	109.6334	0.614	116	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5a])(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[5a])(CCHH)(CH3)2	H(CCHH)	109.4747	0.034	9	109.4747	0.001	9	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5a])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5a])(CH3)3	H(CCHH)	109.4749	0.031	40	109.4749	0.001	40	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5x3,5x5,5x6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5x3,5x5,5x6])(CH3)3	H(CCHH)	109.3814	1.618	9	109.3814	2.617	9	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6])(CH3)3	H(CCHH)	109.6588	1.675	43	109.6588	2.804	43	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a])(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[6a])(CCHH)(CH3)2	H(CCHH)	109.4788	0.044	4	109.4788	0.002	4	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[10x3,4])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[10x3,4])(CH3)3	H(CCHH)	109.4769	0.140	21	109.4769	0.020	21	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[10x3])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[10x3])(CH3)3	H(CCHH)	109.4682	0.586	25	109.4682	0.343	25	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[3,3,3x6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[3,3,3x6])(CH3)3	H(CCHH)	109.4553	0.087	21	109.4553	0.008	21	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[3,3,6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[3,3,6])(CH3)3	H(CCHH)	109.4601	0.031	9	109.4601	0.001	9	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[3,4])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[3,4])(CH3)3	H(CCHH)	109.4659	0.031	7	109.4659	0.001	7	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[3,6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[3,6])(CH3)3	H(CCHH)	109.4638	0.054	38	109.4638	0.003	38	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[3x3,5,6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[3x3,5,6])(CH3)3	H(CCHH)	109.4711	0.072	9	109.4711	0.005	9	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[3x3])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[3x3])(CH3)3	H(CCHH)	109.8110	0.692	15	109.8110	0.479	15	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[3x6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[3x6])(CH3)3	H(CCHH)	109.4803	0.243	30	109.4803	0.059	30	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[4,6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[4,6])(CH3)3	H(CCHH)	109.4614	0.046	8	109.4614	0.002	8	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[4x3,4])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[4x3,4])(CH3)3	H(CCHH)	109.4798	0.038	6	109.4798	0.001	6	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[5])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[5])(CH3)3	H(CCHH)	109.4662	0.059	13	109.4662	0.004	13	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[5x3,6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[5x3,6])(CH3)3	H(CCHH)	109.4693	0.046	23	109.4693	0.002	23	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[5x3])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[5x3])(CH3)3	H(CCHH)	109.4699	0.045	20	109.4699	0.002	20	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[6,6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[6,6])(CH3)3	H(CCHH)	109.4467	0.042	15	109.4467	0.002	15	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[6])(CH3)3	H(CCHH)	109.4688	0.119	144	109.4688	0.014	144	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4])(CH3)3	H(CCHH)	109.4755	0.058	121	109.4755	0.003	121	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[6])(CH3)3	H(CCHH)	109.4548	0.767	71	109.4548	0.589	71	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NS[6])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NS[6])(CH3)3	H(CCHH)	109.4786	0.033	5	109.4786	0.001	5	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSe[4])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSe[4])(CH3)3	H(CCHH)	109.4682	0.051	17	109.4682	0.003	17	109.5053	0.321	860	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OB[5])(CCCO)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(OB[5])(CCCO)(CH3)2	H(CCHH)	109.5055	0.054	21	109.5055	0.003	21	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OB[5x3,5x5,20x6])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OB[5x3,5x5,20x6])(CH3)3	H(CCHH)	109.4694	0.036	14	109.4694	0.001	14	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[3])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[3])(CH3)3	H(CCHH)	109.4525	0.039	6	109.4525	0.002	6	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[4])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[4])(CH3)3	H(CCHH)	109.4779	0.531	14	109.4779	0.282	14	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[5,5])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[5,5])(CH3)3	H(CCHH)	109.8601	1.066	23	109.8601	1.136	23	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[5,6,6])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[5,6,6])(CH3)3	H(CCHH)	109.4727	0.051	7	109.4727	0.003	7	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[5,6])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[5,6])(CH3)3	H(CCHH)	109.4713	0.047	37	109.4713	0.002	37	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[5])(CCHH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(OC[5])(CCHH)(CH3)2	H(CCHH)	109.4739	0.023	10	109.4739	0.001	10	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[5])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[5])(CH3)3	H(CCHH)	109.4405	1.266	162	109.4405	1.604	162	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[5a])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[5a])(CH3)3	H(CCHH)	109.4952	0.065	9	109.4952	0.004	9	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[6])(CCHH)(CCHO)(CH3)	H(CCHH)	C(CCCO)(H)3	C(OC[6])(CCHH)(CCHO)(CH3)	H(CCHH)	109.5612	1.080	5	109.5612	1.167	5	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)2	H(CCHH)	109.9515	1.306	33	109.9515	1.705	33	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[6])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[6])(CH3)3	H(CCHH)	109.4713	0.036	20	109.4713	0.001	20	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)2	H(CCHH)	109.4720	0.034	5	109.4720	0.001	5	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[6a])(CCHO)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CCHO)(CH3)2	H(CCHH)	109.4688	0.035	15	109.4688	0.001	15	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OC[6a])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OC[6a])(CH3)3	H(CCHH)	109.4713	0.038	67	109.4713	0.001	67	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OGe[4])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OGe[4])(CH3)3	H(CCHH)	109.4899	0.057	16	109.4899	0.003	16	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OGe[5])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OGe[5])(CH3)3	H(CCHH)	109.4706	0.043	41	109.4706	0.002	41	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OGe[6])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OGe[6])(CH3)3	H(CCHH)	109.4533	0.018	6	109.4533	0.000	6	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OIn[3x6])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OIn[3x6])(CH3)3	H(CCHH)	109.4683	0.038	7	109.4683	0.001	7	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(ON[6])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(ON[6])(CH3)3	H(CCHH)	109.4739	0.026	8	109.4739	0.001	8	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OP[5,5])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OP[5,5])(CH3)3	H(CCHH)	109.4716	0.039	7	109.4716	0.002	7	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OP[5])(CCCO)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(OP[5])(CCCO)(CH3)2	H(CCHH)	109.4759	0.249	12	109.4759	0.062	12	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OSi[4])(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OSi[4])(CH3)3	H(CCHH)	109.4908	0.051	33	109.4908	0.003	33	109.5094	0.620	578	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-2:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5])(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5])(CH3)3	H(CCHH)	109.4663	0.019	7	109.4663	0.000	7	109.4663	0.000	7	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[3x6])(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[3x6])(CH3)3	H(CCHH)	109.4680	0.026	8	109.4680	0.001	8	109.5263	0.256	148	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[5])(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[5])(CH3)3	H(CCHH)	109.4749	0.038	26	109.4749	0.001	26	109.5263	0.256	148	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[5a])(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[5a])(CH3)3	H(CCHH)	109.4735	0.053	6	109.4735	0.003	6	109.5263	0.256	148	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6])(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6])(CH3)3	H(CCHH)	110.4636	1.869	9	110.4636	3.492	9	109.5263	0.256	148	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a])(CCHH)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(SC[6a])(CCHH)(CH3)2	H(CCHH)	109.4644	0.028	20	109.4644	0.001	20	109.5263	0.256	148	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a])(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a])(CH3)3	H(CCHH)	109.4619	0.122	79	109.4619	0.015	79	109.5263	0.256	148	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:C-4:	C-4:	C(CSeCC)(H)3	C(SeC[6a])(CH3)3	H(CCHH)	C(CSeCC)(H)3	C(SeC[6a])(CH3)3	H(CCHH)	109.4856	0.048	13	109.4856	0.002	13	109.4713	0.003	44	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:C-4:	C-4:	C(CSeCC)(H)3	C(SeNb[10x3])(CH3)3	H(CCHH)	C(CSeCC)(H)3	C(SeNb[10x3])(CH3)3	H(CCHH)	109.4608	0.064	16	109.4608	0.004	16	109.4713	0.003	44	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:C-4:	C-4:	C(CSeCC)(H)3	C(SePt)(CH3)3	H(CCHH)	C(CSeCC)(H)3	C(SePt)(CH3)3	H(CCHH)	109.4532	0.048	8	109.4532	0.002	8	109.4713	0.003	44	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	2:4:4:4:	4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:C-4:	C-4:	C(CSeCC)(H)3	C(SeZr)(CH3)3	H(CCHH)	C(CSeCC)(H)3	C(SeZr)(CH3)3	H(CCHH)	109.4896	0.037	7	109.4896	0.001	7	109.4713	0.003	44	109.5076	0.411	1637	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-2:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]O)(NC[6a])(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]O)(NC[6a])(CH3)(H)	H(CCHH)	109.4457	0.032	3	109.4457	0.001	3	109.4457	0.001	3	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:O-2:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]O)(OC[6a])(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]O)(OC[6a])(CH3)(H)	H(CCHH)	109.4820	0.044	6	109.4820	0.002	6	109.4652	0.001	13	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:O-2:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CN[5]O)(OC[6a])(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5]O)(OC[6a])(CH3)(H)	H(CCHH)	109.4507	0.027	7	109.4507	0.001	7	109.4652	0.001	13	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:S-2:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CC[6a]O)(SC[6a])(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CC[6a]O)(SC[6a])(CH3)(H)	H(CCHH)	109.4490	0.048	3	109.4490	0.002	3	109.4490	0.002	3	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:O-2:C-4:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]N[5]O[5])(OC[6a])(CH3)(H)	H(CCHH)	109.4680	0.007	2	109.4680	0.000	2	109.4680	0.000	2	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-2:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	H(CCHH)	109.4807	0.020	3	109.4807	0.000	3	109.4813	0.002	6	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-2:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	H(CCHH)	109.4820	0.068	3	109.4820	0.005	3	109.4813	0.002	6	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[4])(CH3)(H)	H(CCHH)	109.4863	0.022	3	109.4863	0.000	3	109.3379	1.130	59	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[5,6,6])(CH3)(H)	H(CCHH)	109.4845	0.021	2	109.4845	0.000	2	109.3379	1.130	59	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[5])(CH3)(H)	H(CCHH)	109.4454	0.046	5	109.4454	0.002	5	109.3379	1.130	59	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[6])(CH3)(H)	H(CCHH)	109.0239	1.986	17	109.0239	3.944	17	109.3379	1.130	59	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OC[6a])(CH3)(H)	H(CCHH)	109.4618	0.032	25	109.4618	0.001	25	109.3379	1.130	59	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(ON[5])(CH3)(H)	H(CCHH)	109.4532	0.042	4	109.4532	0.002	4	109.3379	1.130	59	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OP[5])(CH3)(H)	H(CCHH)	109.5060	0.028	3	109.5060	0.001	3	109.3379	1.130	59	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	H(CCHH)	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SC[6a])(CH3)(H)	H(CCHH)	109.4630	0.051	4	109.4630	0.003	4	109.4630	0.003	4	109.3816	0.740	90	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:S-2:C-4:C-2:	C-4:	C(CC[6a]CS)(H)3	C(C[6a]C[6a]2)(SC[6a])(CH3)(CN)	H(CCHH)	C(CC[6a]CS)(H)3	C(C[6a]C[6a]2)(SC[6a])(CH3)(CN)	H(CCHH)	109.4627	0.020	3	109.4627	0.000	3	109.4627	0.000	3	109.4627	0.000	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-2:C-4:C-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	H(CCHH)	109.3780	4.771	3	109.3780	22.758	3	109.3780	22.758	3	109.3780	22.758	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:O-2:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CC[6a]C[5])(OC[6a])(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CC[6a]C[5])(OC[6a])(CH3)2	H(CCHH)	109.4798	0.039	6	109.4798	0.002	6	109.4798	0.002	6	109.5933	0.167	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:O-2:C-4:C-4:	C-4:	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(OP[6])(CH3)2	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(OP[6])(CH3)2	H(CCHH)	109.4731	0.049	31	109.4731	0.002	31	109.4731	0.002	31	109.5933	0.167	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:O-2:C-4:C-4:	C-4:	C(CC[5a]CO)(H)3	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	H(CCHH)	C(CC[5a]CO)(H)3	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	H(CCHH)	109.4783	0.022	6	109.4783	0.000	6	109.4783	0.000	6	109.5933	0.167	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-2:C-4:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]S[6])(OC[6a])(CH3)2	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]S[6])(OC[6a])(CH3)2	H(CCHH)	110.6390	0.677	5	110.6390	0.458	5	110.6390	0.458	5	109.5933	0.167	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:C-4:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	H(CCHH)	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	109.5933	0.167	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:F-1:F-1:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]N[5a])(F)2(H)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	H(CCFF)	C(CC[5a]C[6a]N[5a])(F)2(H)	C(N[5a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CFFH)	H(CCFF)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:F-1:H-1:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]2N[5a])(F)(H)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	H(CCFH)	C(CC[6a]2N[5a])(F)(H)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2(CFHH)	H(CCFH)	109.9584	0.109	10	109.9584	0.012	10	109.9584	0.012	10	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5]3)(H)3	C(C[5]C[5]N[5])3(CH3)	H(CCHH)	C(CC[5]3)(H)3	C(C[5]C[5]N[5])3(CH3)	H(CCHH)	109.4020	0.027	3	109.4020	0.001	3	109.4548	0.003	11	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5]3)(H)3	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	H(CCHH)	C(CC[5]3)(H)3	C(C[5]N[5]O[5])2(C[5]C[5]2)(CH3)	H(CCHH)	109.4693	0.033	3	109.4693	0.001	3	109.4548	0.003	11	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5]3)(H)3	C(C[5]N[5]O[5])3(CH3)	H(CCHH)	C(CC[5]3)(H)3	C(C[5]N[5]O[5])3(CH3)	H(CCHH)	109.4778	0.062	5	109.4778	0.004	5	109.4548	0.003	11	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(CC[5a]C[5]2)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	H(CCHH)	C(CC[5a]C[5]2)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])2(CH3)	H(CCHH)	109.5405	0.013	2	109.5405	0.000	2	109.5405	0.000	2	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]C[6a]C[5])(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	H(CCHH)	C(CC[5a]C[6a]C[5])(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	H(CCHH)	109.4670	1.190	3	109.4670	1.417	3	109.4670	1.417	3	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(CC[5a]2C[5])(H)3	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	H(CCHH)	C(CC[5a]2C[5])(H)3	C(C[5a]C[5a]N[5a])2(C[5]C[5]N[5])(CH3)	H(CCHH)	109.4262	0.033	5	109.4262	0.001	5	109.4262	0.001	5	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C-4:	C(CC[5a]3)(H)3	C(C[5a]C[5a]N[5a])3(CH3)	H(CCHH)	C(CC[5a]3)(H)3	C(C[5a]C[5a]N[5a])3(CH3)	H(CCHH)	109.4777	0.039	31	109.4777	0.002	31	109.4599	0.016	37	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C-4:	C(CC[5a]3)(H)3	C(C[5a]C[5a]S[5a])3(CH3)	H(CCHH)	C(CC[5a]3)(H)3	C(C[5a]C[5a]S[5a])3(CH3)	H(CCHH)	109.3678	0.309	6	109.3678	0.095	6	109.4599	0.016	37	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6]-3:C-4:	C-4:	C(CC[5a]2C[6])(H)3	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	H(CCHH)	C(CC[5a]2C[6])(H)3	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	H(CCHH)	110.2186	1.188	5	110.2186	1.412	5	110.2186	1.412	5	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	H(CCHH)	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)	H(CCHH)	109.5000	0.027	2	109.5000	0.001	2	109.4873	0.185	188	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	H(CCHH)	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(CH3)	H(CCHH)	109.4663	0.031	4	109.4663	0.001	4	109.4873	0.185	188	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	H(CCHH)	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a]2)2(C[6a]C[6a]2)(CH3)	H(CCHH)	109.4774	0.026	5	109.4774	0.001	5	109.4873	0.185	188	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	H(CCHH)	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	H(CCHH)	109.4879	0.447	174	109.4879	0.200	174	109.4873	0.185	188	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	H(CCHH)	C(CC[5a]2C[6a])(H)3	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])(CH3)	H(CCHH)	109.4890	0.083	3	109.4890	0.007	3	109.4873	0.185	188	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:N-3:C-4:	C-4:	C(CC[5a]C[6a]N)(H)3	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	H(CCHH)	C(CC[5a]C[6a]N)(H)3	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	H(CCHH)	108.2040	1.266	3	108.2040	1.602	3	108.2040	1.602	3	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:C-4:	C-4:	C(CC[6]3)(H)3	C(C[6]C[6]N[6])3(CH3)	H(CCHH)	C(CC[6]3)(H)3	C(C[6]C[6]N[6])3(CH3)	H(CCHH)	109.4643	0.282	133	109.4643	0.080	133	109.4643	0.080	133	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]C[6]2)(H)3	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	H(CCHH)	C(CC[6a]C[6]2)(H)3	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	H(CCHH)	109.4525	0.066	2	109.4525	0.004	2	109.4525	0.004	2	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:O-3:C-4:	C-4:	C(CC[6a]C[6]O)(H)3	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	H(CCHH)	C(CC[6a]C[6]O)(H)3	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	H(CCHH)	109.4740	0.025	3	109.4740	0.001	3	109.4740	0.001	3	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:B[5]-3:B[5]-3:C-4:	C-4:	C(CC[6a]B[5]2)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	H(CCHH)	C(CC[6a]B[5]2)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	H(CCHH)	109.4730	0.031	6	109.4730	0.001	6	109.4730	0.001	6	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:B[5]-3:C-3:C-4:	C-4:	C(CC[6a]B[5]C)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	H(CCHH)	C(CC[6a]B[5]C)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	H(CCHH)	109.4650	0.029	4	109.4650	0.001	4	109.4650	0.001	4	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:O-3:C-4:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]N)(OPdH)(CH3)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]N)(OPdH)(CH3)	H(CCHH)	109.4820	0.036	3	109.4820	0.001	3	109.4820	0.001	3	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C-4:	C(CC[6a]C[6]2)(H)3	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	H(CCHH)	C(CC[6a]C[6]2)(H)3	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	H(CCHH)	109.4685	0.057	19	109.4685	0.003	19	109.4685	0.003	19	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C-4:	C-4:	C(CC[6a]2C[6])(H)3	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	H(CCHH)	C(CC[6a]2C[6])(H)3	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	H(CCHH)	109.4706	0.033	14	109.4706	0.001	14	109.4706	0.001	14	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(H)3	C(C[6a]C[6a]2)3(CH3)	H(CCHH)	C(CC[6a]3)(H)3	C(C[6a]C[6a]2)3(CH3)	H(CCHH)	109.4741	0.039	39	109.4741	0.002	39	109.5641	0.167	45	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(H)3	C(C[6a]C[6a]N[6a])3(CH3)	H(CCHH)	C(CC[6a]3)(H)3	C(C[6a]C[6a]N[6a])3(CH3)	H(CCHH)	110.1492	0.994	6	110.1492	0.987	6	109.5641	0.167	45	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C[6]-3:C-4:	C-4:	C(CC[6]N[5]2)(H)3	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	H(CCHH)	C(CC[6]N[5]2)(H)3	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	H(CCHH)	109.4910	0.050	3	109.4910	0.002	3	109.4910	0.002	3	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C-4:	C(CN[5a]2C[6])(H)3	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	H(CCHH)	C(CN[5a]2C[6])(H)3	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	H(CCHH)	109.4687	0.027	9	109.4687	0.001	9	109.4687	0.001	9	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]N[5a]2)(H)3	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	H(CCHH)	C(CC[6a]N[5a]2)(H)3	C(N[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CH3)	H(CCHH)	109.4594	0.026	5	109.4594	0.001	5	109.4594	0.001	5	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:O-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(CN[5]3)(H)2(O)	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	C(CN[5]3)(H)2(O)	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	109.9625	0.026	2	109.9625	0.001	2	109.9625	0.001	2	109.4952	0.150	513	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:Br-1:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(Br)(H)2	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	H(CBrCH)	C(CC[6a]N[5]H)(Br)(H)2	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CBrHH)(H)	H(CBrCH)	109.2910	0.000	1	109.2910	0.000	1	109.2910	0.000	1	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:Cl-1:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(Cl)2(H)	C(C[6a]C[6a]2)2(CCl2H)(H)	H(CCl2C)	C(CC[6a]2H)(Cl)2(H)	C(C[6a]C[6a]2)2(CCl2H)(H)	H(CCl2C)	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:Cl-1:Cl-1:H-1:	N-3:N-3:C-4:H-1:	C-4:	C(CHNN)(Cl)2(H)	C(NC[5]C)2(CCl2H)(H)	H(CCl2C)	C(CHNN)(Cl)2(H)	C(NC[5]C)2(CCl2H)(H)	H(CCl2C)	108.9465	0.562	2	108.9465	0.316	2	108.9465	0.316	2	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	B[5]-3:C-3:C-4:H-1:	C-4:	C(CB[5]CH)(H)3	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	H(CCHH)	C(CB[5]CH)(H)3	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	H(CCHH)	109.4727	0.018	3	109.4727	0.000	3	109.4727	0.000	3	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	B[5]-3:C[5]-3:C-4:H-1:	C-4:	C(CB[5]C[5]H)(H)3	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	H(CCHH)	C(CB[5]C[5]H)(H)3	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	H(CCHH)	109.4653	0.034	6	109.4653	0.001	6	109.4653	0.001	6	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:Cl-1:	C-4:	C(CClCC)(H)3	C(CC[6a]N)2(CH3)(Cl)	H(CCHH)	C(CClCC)(H)3	C(CC[6a]N)2(CH3)(Cl)	H(CCHH)	109.4730	0.006	2	109.4730	0.000	2	109.4730	0.000	2	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]C)(CC[6a]N)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]C)(CC[6a]N)(CH3)(H)	H(CCHH)	109.4803	0.021	3	109.4803	0.000	3	109.4717	0.001	10	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CN[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CN[5]O)(CH3)(H)	H(CCHH)	109.4655	0.040	4	109.4655	0.002	4	109.4717	0.001	10	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CN[5a]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CN[5a]O)(CH3)(H)	H(CCHH)	109.4713	0.013	3	109.4713	0.000	3	109.4717	0.001	10	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]O)(NC[6a]H)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]O)(NC[6a]H)(CH3)(H)	H(CCHH)	109.4688	0.021	8	109.4688	0.000	8	109.4688	0.000	8	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4840	0.053	11	109.4840	0.003	11	109.4840	0.003	11	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4943	0.012	3	109.4943	0.000	3	109.4905	0.002	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(H)3	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4595	0.008	2	109.4595	0.000	2	109.4905	0.002	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(H)3	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4748	0.014	4	109.4748	0.000	4	109.4905	0.002	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(H)3	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	C(C[5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4800	0.033	2	109.4800	0.001	2	109.4905	0.002	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(H)3	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.5467	0.066	3	109.5467	0.004	3	109.4905	0.002	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(H)3	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4793	0.028	3	109.4793	0.001	3	109.4905	0.002	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[5a]N[5]H)(H)3	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	H(CCHH)	C(CC[5a]N[5]H)(H)3	C(C[5a]C[5a,6a]C[5a])(N[5]C[5]P[5])(CH3)(H)	H(CCHH)	109.4617	0.022	4	109.4617	0.000	4	109.4617	0.000	4	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:N[6a]-3:C-4:H-1:	C-4:	C(CC[5a]N[6a]H)(H)3	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[5a]N[6a]H)(H)3	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	H(CCHH)	111.4630	0.774	3	111.4630	0.600	3	111.4630	0.600	3	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-3:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	H(CCHH)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6]2H)(H)3	C(C[6]C[6]2)2(CH3)(H)	H(CCHH)	C(CC[6]2H)(H)3	C(C[6]C[6]2)2(CH3)(H)	H(CCHH)	112.2298	3.367	6	112.2298	11.339	6	110.9600	7.799	11	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6]2H)(H)3	C(C[6]C[6]N[6])2(CH3)(H)	H(CCHH)	C(CC[6]2H)(H)3	C(C[6]C[6]N[6])2(CH3)(H)	H(CCHH)	109.4362	0.051	5	109.4362	0.003	5	110.9600	7.799	11	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	H(CCHH)	109.4920	0.017	5	109.4920	0.000	5	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	H(CCHH)	109.4656	0.030	9	109.4656	0.001	9	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	H(CCHH)	109.4597	0.067	3	109.4597	0.005	3	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	H(CCHH)	109.4110	0.035	2	109.4110	0.001	2	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	H(CCHH)	109.4375	0.042	6	109.4375	0.002	6	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	H(CCHH)	109.4367	0.019	3	109.4367	0.000	3	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	H(CCHH)	107.3510	3.136	3	107.3510	9.833	3	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	H(CCHH)	109.4463	0.016	3	109.4463	0.000	3	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	H(CCHH)	109.4748	0.045	6	109.4748	0.002	6	109.3007	0.822	40	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6]N[5]H)(H)3	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	H(CCHH)	C(CC[6]N[5]H)(H)3	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	H(CCHH)	111.4857	5.433	3	111.4857	29.514	3	111.4857	29.514	3	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	H(CCHH)	109.4675	0.064	10	109.4675	0.004	10	109.4622	0.003	16	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	H(CCHH)	109.4517	0.037	3	109.4517	0.001	3	109.4622	0.003	16	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	H(CCHH)	109.4553	0.055	3	109.4553	0.003	3	109.4622	0.003	16	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]C)(CH3)(H)	H(CCHH)	109.4417	0.041	6	109.4417	0.002	6	109.4289	2.114	75	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4830	0.036	16	109.4830	0.001	16	109.4289	2.114	75	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[3]O)(CH3)(H)	H(CCHH)	107.4837	8.416	3	107.4837	70.829	3	109.4289	2.114	75	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CH3)(H)	H(CCHH)	109.5362	0.264	42	109.5362	0.070	42	109.4289	2.114	75	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[6]O)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[6]O)(CH3)(H)	H(CCHH)	109.4771	0.041	8	109.4771	0.002	8	109.4289	2.114	75	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(H)3	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[5]H)(H)3	C(C[6a]C[6a]2)(C[5]N[5]2)(CH3)(H)	H(CCHH)	109.4848	0.415	30	109.4848	0.173	30	109.4848	0.173	30	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(H)3	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	H(CCHH)	C(CC[5a]C[6a]H)(H)3	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)(H)	H(CCHH)	109.4533	0.050	3	109.4533	0.002	3	109.4533	0.002	3	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[6]H)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	H(CCHH)	109.6946	6.655	19	109.6946	44.283	19	109.6946	44.283	19	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(H)3	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]2H)(H)3	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	110.4218	1.717	9	110.4218	2.948	9	109.7618	0.960	412	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(H)3	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]2H)(H)3	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4837	0.011	3	109.4837	0.000	3	109.7618	0.960	412	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(H)3	C(C[6a]C[6a]2)2(CH3)(H)	H(CCHH)	C(CC[6a]2H)(H)3	C(C[6a]C[6a]2)2(CH3)(H)	H(CCHH)	109.7595	0.974	386	109.7595	0.949	386	109.7618	0.960	412	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(H)3	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]2H)(H)3	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4609	0.168	14	109.4609	0.028	14	109.7618	0.960	412	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NIrC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NIrC)(CH3)(H)	H(CCHH)	109.4585	0.031	6	109.4585	0.001	6	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NRuC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NRuC)(CH3)(H)	H(CCHH)	109.4573	0.035	3	109.4573	0.001	3	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NAlP)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NAlP)(CH3)(H)	H(CCHH)	108.8022	3.269	6	108.8022	10.685	6	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[3]C)(CH3)(H)	H(CCHH)	109.4650	0.042	13	109.4650	0.002	13	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5]C)(CH3)(H)	H(CCHH)	110.2547	0.814	27	110.2547	0.663	27	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	H(CCHH)	109.4515	0.540	8	109.4515	0.291	8	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	H(CCHH)	109.7740	0.881	37	109.7740	0.776	37	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	H(CCHH)	109.5566	0.644	21	109.5566	0.415	21	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6a]C)(CH3)(H)	H(CCHH)	109.1294	1.526	9	109.1294	2.328	9	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(H)	H(CCHH)	109.6772	0.864	54	109.6772	0.746	54	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6a]Sn)(CH3)(H)	H(CCHH)	109.4790	0.030	5	109.4790	0.001	5	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCaP)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCaP)(CH3)(H)	H(CCHH)	109.4969	0.049	8	109.4969	0.002	8	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCoC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCoC)(CH3)(H)	H(CCHH)	109.5005	0.048	6	109.5005	0.002	6	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCuC)(CH3)(H)	H(CCHH)	109.4700	0.118	113	109.4700	0.014	113	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NFeC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NFeC)(CH3)(H)	H(CCHH)	109.4674	0.058	46	109.4674	0.003	46	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NHfC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NHfC)(CH3)(H)	H(CCHH)	109.4882	0.014	5	109.4882	0.000	5	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NIrC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NIrC)(CH3)(H)	H(CCHH)	109.4639	0.050	35	109.4639	0.003	35	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLiC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLiC)(CH3)(H)	H(CCHH)	109.4710	0.010	2	109.4710	0.000	2	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLiP)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLiP)(CH3)(H)	H(CCHH)	109.4495	0.045	8	109.4495	0.002	8	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLuC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLuC)(CH3)(H)	H(CCHH)	109.4764	0.059	19	109.4764	0.004	19	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NMgC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NMgC)(CH3)(H)	H(CCHH)	109.4694	0.028	8	109.4694	0.001	8	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NMoC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NMoC)(CH3)(H)	H(CCHH)	109.7100	0.190	3	109.7100	0.036	3	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNaC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNaC)(CH3)(H)	H(CCHH)	109.4613	0.033	3	109.4613	0.001	3	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNiC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNiC)(CH3)(H)	H(CCHH)	109.4720	0.053	35	109.4720	0.003	35	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNiH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNiH)(CH3)(H)	H(CCHH)	109.3530	0.494	2	109.3530	0.244	2	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NP[5]P)(CH3)(H)	H(CCHH)	109.4733	0.031	11	109.4733	0.001	11	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	H(CCHH)	109.4790	0.031	3	109.4790	0.001	3	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdC)(CH3)(H)	H(CCHH)	109.4619	0.070	34	109.4619	0.005	34	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdP)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdP)(CH3)(H)	H(CCHH)	109.4643	0.045	3	109.4643	0.002	3	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPtC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPtC)(CH3)(H)	H(CCHH)	109.4877	0.033	3	109.4877	0.001	3	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRhC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRhC)(CH3)(H)	H(CCHH)	109.4715	0.039	13	109.4715	0.002	13	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRuC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRuC)(CH3)(H)	H(CCHH)	109.4980	0.045	9	109.4980	0.002	9	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NScC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NScC)(CH3)(H)	H(CCHH)	109.4811	0.048	9	109.4811	0.002	9	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NSiSn)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NSiSn)(CH3)(H)	H(CCHH)	109.4778	0.052	4	109.4778	0.003	4	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NSrP)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NSrP)(CH3)(H)	H(CCHH)	109.4670	0.041	11	109.4670	0.002	11	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnC)(CH3)(H)	H(CCHH)	109.4730	0.043	85	109.4730	0.002	85	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZrP)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZrP)(CH3)(H)	H(CCHH)	109.4707	0.028	6	109.4707	0.001	6	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)(H)	H(CCHH)	109.4662	0.028	6	109.4662	0.001	6	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]N[6a]2)(NC[6a]H)(CH3)(H)	H(CCHH)	109.4340	0.046	3	109.4340	0.002	3	109.5273	0.285	682	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[3]-3:C-4:H-1:	C-4:	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	H(CCHH)	109.4630	0.018	2	109.4630	0.000	2	109.7418	0.528	23	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[3]-3:C-4:H-1:	C-4:	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	H(CCHH)	110.6283	1.235	3	110.6283	1.525	3	109.7418	0.528	23	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[3]-3:C-4:H-1:	C-4:	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	H(CCHH)	109.6250	0.584	18	109.6250	0.341	18	109.7418	0.528	23	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[4]-3:C-4:H-1:	C-4:	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	H(CCHH)	109.4599	0.034	14	109.4599	0.001	14	109.4599	0.001	14	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	H(CCHH)	109.4707	0.046	9	109.4707	0.002	9	109.5461	0.408	127	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	H(CCHH)	109.5518	0.662	118	109.5518	0.439	118	109.5461	0.408	127	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5a]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(CH3)(H)	H(CCHH)	109.4467	0.074	11	109.4467	0.005	11	109.4544	0.004	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(H)3	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5a]H)(H)3	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)(H)	H(CCHH)	109.4683	0.028	6	109.4683	0.001	6	109.4544	0.004	17	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	H(CCHH)	109.1707	1.604	3	109.1707	2.572	3	109.5162	0.449	172	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	H(CCHH)	109.8340	1.097	6	109.8340	1.204	6	109.5162	0.449	172	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	H(CCHH)	109.4720	0.026	6	109.4720	0.001	6	109.5162	0.449	172	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	H(CCHH)	109.5136	0.656	151	109.5136	0.431	151	109.5162	0.449	172	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	H(CCHH)	109.4795	0.053	6	109.4795	0.003	6	109.5162	0.449	172	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-3:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OAl2)(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OAl2)(CH3)(H)	H(CCHH)	109.4777	0.041	3	109.4777	0.002	3	109.4747	0.001	7	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-3:C-4:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OSiY)(CH3)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(OSiY)(CH3)(H)	H(CCHH)	109.4725	0.017	4	109.4725	0.000	4	109.4747	0.001	7	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O[4]-3:C-4:H-1:	C-4:	C(CC[6a]O[4]H)(H)3	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	H(CCHH)	C(CC[6a]O[4]H)(H)3	C(C[6a]C[6a]N[6a])(O[4]Ga[4]2)(CH3)(H)	H(CCHH)	109.4550	0.018	2	109.4550	0.000	2	109.4550	0.000	2	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	H(CCHH)	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SC[6a]O)(CH3)(H)	H(CCHH)	109.4716	0.027	20	109.4716	0.001	20	109.4716	0.001	20	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[3]H)(H)3	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[3]H)(H)3	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	108.5123	3.724	9	108.5123	13.871	9	108.5123	13.871	9	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5,6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CN[5,6]C[6a]H)(H)3	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CN[5,6]C[6a]H)(H)3	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.8470	1.192	5	109.8470	1.421	5	109.8470	1.421	5	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.5050	0.032	3	109.5050	0.001	3	109.4625	0.203	46	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4827	0.023	6	109.4827	0.001	6	109.4625	0.203	46	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.3774	1.136	8	109.3774	1.291	8	109.4625	0.203	46	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4690	0.032	5	109.4690	0.001	5	109.4625	0.203	46	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4734	0.036	17	109.4734	0.001	17	109.4625	0.203	46	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(N[5]Se[5]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4933	0.035	7	109.4933	0.001	7	109.4625	0.203	46	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:N-3:C-4:H-1:	C-4:	C(CN[5]HN)(H)3	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	H(CCHH)	C(CN[5]HN)(H)3	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	H(CCHH)	109.4670	0.021	3	109.4670	0.000	3	109.4670	0.000	3	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(H)3	C(N[5]C[5]2)2(CH3)(H)	H(CCHH)	C(CN[5]2H)(H)3	C(N[5]C[5]2)2(CH3)(H)	H(CCHH)	109.4867	0.032	3	109.4867	0.001	3	109.4886	0.001	9	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(H)3	C(N[5]C[5]N[5])2(CH3)(H)	H(CCHH)	C(CN[5]2H)(H)3	C(N[5]C[5]N[5])2(CH3)(H)	H(CCHH)	109.4895	0.036	6	109.4895	0.001	6	109.4886	0.001	9	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:O-3:C-4:H-1:	C-4:	C(CN[5]HO)(H)3	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	H(CCHH)	C(CN[5]HO)(H)3	C(N[5]C[5]N[5])(OFe2)(CH3)(H)	H(CCHH)	109.4558	0.051	6	109.4558	0.003	6	109.4558	0.003	6	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(H)3	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5a]H)(H)3	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4649	0.048	13	109.4649	0.002	13	109.4685	0.002	25	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(H)3	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5a]H)(H)3	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4724	0.031	12	109.4724	0.001	12	109.4685	0.002	25	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CN[6,6]C[6a]H)(H)3	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CN[6,6]C[6a]H)(H)3	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4355	0.028	2	109.4355	0.001	2	109.4355	0.001	2	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-3:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4725	0.011	2	109.4725	0.000	2	109.4515	0.001	8	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-3:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	H(CCHH)	109.4445	0.035	6	109.4445	0.001	6	109.4515	0.001	8	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6]N[6]H)(H)3	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	H(CCHH)	C(CC[6]N[6]H)(H)3	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	H(CCHH)	109.5050	0.054	2	109.5050	0.003	2	109.5050	0.003	2	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4898	0.039	5	109.4898	0.002	5	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4785	0.032	15	109.4785	0.001	15	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.1336	1.095	11	109.1336	1.199	11	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	108.7157	1.572	3	108.7157	2.473	3	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4960	0.018	6	109.4960	0.000	6	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4730	0.027	2	109.4730	0.001	2	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4608	0.033	13	109.4608	0.001	13	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4740	0.041	6	109.4740	0.002	6	109.3770	0.323	61	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6a]H)(H)3	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6a]H)(H)3	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4940	0.028	3	109.4940	0.001	3	109.4940	0.001	3	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:I-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(H)2(I)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	H(CCHI)	C(CC[6a]N[5a]H)(H)2(I)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	H(CCHI)	109.1345	0.023	2	109.1345	0.001	2	109.1345	0.001	2	109.5694	1.085	1923	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:Br-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[5a]C[6a]O)(Br)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	H(CBrCH)	C(CC[5a]C[6a]O)(Br)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CBrHH)(OH)	H(CBrCH)	109.0330	0.052	2	109.0330	0.003	2	109.0330	0.003	2	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:F-1:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]2C)(F)2(H)	C(C[6a]C[6a]2)2(CFFH)(CN)	H(CCFF)	C(CC[6a]2C)(F)2(H)	C(C[6a]C[6a]2)2(CFFH)(CN)	H(CCFF)	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(CC[5]2O)(H)3	C(C[5]C[5]S[5])2(CH3)(OH)	H(CCHH)	C(CC[5]2O)(H)3	C(C[5]C[5]S[5])2(CH3)(OH)	H(CCHH)	112.4857	1.153	3	112.4857	1.330	3	111.2866	3.361	5	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(CC[5]2O)(H)3	C(C[5]N[5]2)2(CH3)(OC)	H(CCHH)	C(CC[5]2O)(H)3	C(C[5]N[5]2)2(CH3)(OC)	H(CCHH)	109.4880	0.054	2	109.4880	0.003	2	111.2866	3.361	5	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-2:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CH3)(CC)	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CH3)(CC)	H(CCHH)	109.4870	0.589	18	109.4870	0.347	18	109.4870	0.347	18	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	H(CCHH)	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	H(CCHH)	109.4813	0.031	3	109.4813	0.001	3	109.4813	0.001	3	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C-4:	C(CC[6]2O)(H)3	C(C[6]C[6]N[6])2(CH3)(OC)	H(CCHH)	C(CC[6]2O)(H)3	C(C[6]C[6]N[6])2(CH3)(OC)	H(CCHH)	109.5077	0.028	3	109.5077	0.001	3	109.4838	0.001	17	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C-4:	C(CC[6]2O)(H)3	C(C[6]C[6]N[6])2(CH3)(OH)	H(CCHH)	C(CC[6]2O)(H)3	C(C[6]C[6]N[6])2(CH3)(OH)	H(CCHH)	109.4786	0.036	14	109.4786	0.001	14	109.4838	0.001	17	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[6]O)(H)3	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	H(CCHH)	C(CC[6a]C[6]O)(H)3	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	H(CCHH)	109.4705	0.042	6	109.4705	0.002	6	109.4705	0.002	6	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:O-2:	C-4:	C(CC[6]OO)(H)3	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	H(CCHH)	C(CC[6]OO)(H)3	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	H(CCHH)	109.4662	0.028	15	109.4662	0.001	15	109.4662	0.001	15	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:N-2:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	H(CCHH)	109.4800	0.018	2	109.4800	0.000	2	109.4600	0.002	5	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:N-2:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	H(CCHH)	109.4467	0.062	3	109.4467	0.004	3	109.4600	0.002	5	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-2:	C-4:	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NC)	H(CCHH)	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NC)	H(CCHH)	109.5080	0.033	3	109.5080	0.001	3	109.5080	0.001	3	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OGa)	H(CCHH)	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OGa)	H(CCHH)	109.4655	0.009	2	109.4655	0.000	2	109.5310	1.224	28	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OH)	H(CCHH)	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OH)	H(CCHH)	109.5824	1.434	17	109.5824	2.057	17	109.5310	1.224	28	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OIn)	H(CCHH)	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OIn)	H(CCHH)	109.4037	0.076	3	109.4037	0.006	3	109.5310	1.224	28	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OZn)	H(CCHH)	C(CC[6a]2O)(H)3	C(C[6a]C[6a]2)2(CH3)(OZn)	H(CCHH)	109.4710	0.028	3	109.4710	0.001	3	109.5310	1.224	28	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(H)3	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	H(CCHH)	C(CC[6a]2O)(H)3	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)(OC)	H(CCHH)	109.4707	0.017	3	109.4707	0.000	3	109.5310	1.224	28	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-2:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	H(CCHH)	108.3803	2.156	3	108.3803	4.649	3	108.3803	4.649	3	109.5503	0.793	106	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-3:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CH3)(CCO)	H(CCHH)	109.4711	0.021	9	109.4711	0.000	9	109.4711	0.000	9	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:N-3:	C-4:	C(CC[5a]2N)(H)3	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	H(CCHH)	C(CC[5a]2N)(H)3	C(C[5a]C[5a]S[5a])(C[5a]N[5a]S[5a])(CH3)(NHS)	H(CCHH)	109.4820	0.029	3	109.4820	0.001	3	109.4820	0.001	3	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[5a]C[6a]N)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	H(CCHH)	C(CC[5a]C[6a]N)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(NHS)	H(CCHH)	109.4762	0.051	6	109.4762	0.003	6	109.4762	0.003	6	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)(COO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)(COO)	H(CCHH)	109.8637	1.622	3	109.8637	2.631	3	109.8637	2.631	3	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CH3)(NCH)	H(CCHH)	109.4703	0.047	3	109.4703	0.002	3	109.4629	0.001	9	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NCH)	H(CCHH)	109.4592	0.028	6	109.4592	0.001	6	109.4629	0.001	9	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CH3)(CHH)	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CH3)(CHH)	H(CCHH)	109.4280	2.778	3	109.4280	7.717	3	109.4531	2.207	8	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CH3)(COO)	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CH3)(COO)	H(CCHH)	109.4682	0.050	5	109.4682	0.003	5	109.4531	2.207	8	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NCC)	H(CCHH)	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NCC)	H(CCHH)	109.4757	0.031	3	109.4757	0.001	3	109.4705	0.066	12	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NCH)	H(CCHH)	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NCH)	H(CCHH)	109.4807	0.025	3	109.4807	0.001	3	109.4705	0.066	12	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NHS)	H(CCHH)	C(CC[6a]2N)(H)3	C(C[6a]C[6a]2)2(CH3)(NHS)	H(CCHH)	109.4628	0.380	6	109.4628	0.144	6	109.4705	0.066	12	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(COO)	H(CCHH)	109.4670	0.040	2	109.4670	0.002	2	109.4902	0.001	5	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]O)(CH3)(CNO)	H(CCHH)	109.5057	0.020	3	109.5057	0.000	3	109.4902	0.001	5	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:3:	4:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-3:	C-4:	C(CN[5]2C)(H)3	C(N[5]C[5]N[5])2(CH3)(COO)	H(CCHH)	C(CN[5]2C)(H)3	C(N[5]C[5]N[5])2(CH3)(COO)	H(CCHH)	109.4727	0.022	6	109.4727	0.000	6	109.4727	0.000	6	109.4895	0.365	61	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(Br)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	H(CBrCH)	C(CC[6a]CC)(Br)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	H(CBrCH)	108.9367	0.354	3	108.9367	0.126	3	108.9367	0.126	3	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]O)2(CCHH)(CH3)	H(CCHH)	C(CC3)(H)3	C(CC[5]O)2(CCHH)(CH3)	H(CCHH)	109.4850	0.058	9	109.4850	0.003	9	109.4788	0.003	22	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]O)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[5]O)2(CH3)2	H(CCHH)	109.4746	0.019	5	109.4746	0.000	5	109.4788	0.003	22	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]O)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]O)2(CH3)2	H(CCHH)	109.4627	0.013	3	109.4627	0.000	3	109.4788	0.003	22	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5]O)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CN[5]O)2(CH3)2	H(CCHH)	109.4816	0.078	5	109.4816	0.006	5	109.4788	0.003	22	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-3:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	H(CCHH)	109.5023	0.014	4	109.5023	0.000	4	109.5023	0.000	4	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	H(CCHH)	109.4663	0.042	6	109.4663	0.002	6	109.7325	1.912	83	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]N[5])2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]N[5])2(CH3)2	H(CCHH)	108.4813	4.738	3	108.4813	22.447	3	109.7325	1.912	83	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CCHH)(CH3)	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CCHH)(CH3)	H(CCHH)	109.4585	0.006	2	109.4585	0.000	2	109.7325	1.912	83	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	H(CCHH)	109.4659	0.045	7	109.4659	0.002	7	109.7325	1.912	83	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CH3)2	H(CCHH)	109.8519	1.282	65	109.8519	1.644	65	109.7325	1.912	83	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-4:C-4:	C-4:	C(CC[5]3)(H)3	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	H(CCHH)	C(CC[5]3)(H)3	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	H(CCHH)	109.4820	0.023	3	109.4820	0.001	3	109.4870	0.000	5	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[5]-4:C-4:	C-4:	C(CC[5]3)(H)3	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	H(CCHH)	C(CC[5]3)(H)3	C(C[5]N[5]O[5])2(C[5]C[5]2Ti)(CH3)	H(CCHH)	109.4945	0.012	2	109.4945	0.000	2	109.4870	0.000	5	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.4715	0.048	11	109.4715	0.002	11	109.0740	2.380	23	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	H(CCHH)	108.7097	2.111	12	108.7097	4.454	12	109.0740	2.380	23	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:N-3:C-4:C-4:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5]N[5])(NPdC)(CH3)2	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5]N[5])(NPdC)(CH3)2	H(CCHH)	109.4626	0.057	8	109.4626	0.003	8	109.4626	0.003	8	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:O-3:C-4:C-4:	C-4:	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(OFe2)(CH3)2	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(OFe2)(CH3)2	H(CCHH)	109.4907	0.036	6	109.4907	0.001	6	109.4841	0.001	13	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:O-3:C-4:C-4:	C-4:	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(ONiH)(CH3)2	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(ONiH)(CH3)2	H(CCHH)	109.4784	0.031	7	109.4784	0.001	7	109.4841	0.001	13	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	H(CCHH)	109.4734	0.072	115	109.4734	0.005	115	109.4956	0.087	288	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	H(CCHH)	109.4442	0.057	6	109.4442	0.003	6	109.4956	0.087	288	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	H(CCHH)	109.5876	0.635	59	109.5876	0.403	59	109.4956	0.087	288	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	H(CCHH)	109.4719	0.048	108	109.4719	0.002	108	109.4956	0.087	288	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5,5a]N[5a])2(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5,5a]N[5a])2(CH3)2	H(CCHH)	109.4666	0.363	23	109.4666	0.132	23	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	H(CCHH)	109.4949	0.024	7	109.4949	0.001	7	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]2)2(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]2)2(CH3)2	H(CCHH)	109.4623	0.036	18	109.4623	0.001	18	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	H(CCHH)	109.5338	0.034	10	109.5338	0.001	10	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	H(CCHH)	109.7281	1.186	27	109.7281	1.407	27	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	H(CCHH)	109.4632	0.088	83	109.4632	0.008	83	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	H(CCHH)	109.4762	0.040	64	109.4762	0.002	64	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CH3)2	H(CCHH)	109.4959	0.343	685	109.4959	0.118	685	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	H(CCHH)	109.4853	0.030	3	109.4853	0.001	3	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	H(CCHH)	109.4510	0.021	4	109.4510	0.000	4	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	H(CCHH)	110.4517	1.834	3	110.4517	3.362	3	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]C[5a]O[5a])2(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]C[5a]O[5a])2(CH3)2	H(CCHH)	110.2465	1.047	27	110.2465	1.097	27	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]N[5a,6]C[5a])2(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]N[5a,6]C[5a])2(CH3)2	H(CCHH)	109.4353	0.020	3	109.4353	0.000	3	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(H)3	C(C[5a]N[5a]S[5a])2(CH3)2	H(CCHH)	C(CC[5a]2C)(H)3	C(C[5a]N[5a]S[5a])2(CH3)2	H(CCHH)	109.4480	1.672	12	109.4480	2.795	12	109.5202	0.212	969	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5]-4:C-4:	C-4:	C(CC[5a]2C[5])(H)3	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)(CH3)	H(CCHH)	C(CC[5a]2C[5])(H)3	C(C[5a]C[5a]N[5a])2(C[5]C[5]2Fe)(CH3)	H(CCHH)	109.4652	0.036	6	109.4652	0.001	6	109.4652	0.001	6	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6]-3:C-4:C-4:	C-4:	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	H(CCHH)	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	H(CCHH)	109.4821	0.039	7	109.4821	0.002	7	109.4821	0.002	7	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHH)	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHH)	109.4420	0.033	3	109.4420	0.001	3	109.7386	1.904	32	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.8126	1.560	25	109.8126	2.432	25	109.7386	1.904	32	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.4985	0.054	4	109.4985	0.003	4	109.7386	1.904	32	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:C-4:C-4:	C-4:	C(CC[5a]N[5a]C)(H)3	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	H(CCHH)	C(CC[5a]N[5a]C)(H)3	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	H(CCHH)	109.4647	0.047	20	109.4647	0.002	20	109.4647	0.002	20	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:	C(CC[6]2C)(H)3	C(C[6]C[6]N[6])2(CH3)2	H(CCHH)	C(CC[6]2C)(H)3	C(C[6]C[6]N[6])2(CH3)2	H(CCHH)	109.4721	0.029	11	109.4721	0.001	11	109.4721	0.001	11	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:N[5]-4:C-4:	C-4:	C(CC[6]2N[5])(H)3	C(C[6]C[6]N[6])2(N[5]C[5]2Rh)(CH3)	H(CCHH)	C(CC[6]2N[5])(H)3	C(C[6]C[6]N[6])2(N[5]C[5]2Rh)(CH3)	H(CCHH)	109.4330	0.006	2	109.4330	0.000	2	109.4330	0.000	2	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	H(CCHH)	109.4837	0.027	16	109.4837	0.001	16	109.4679	0.002	62	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	H(CCHH)	109.4728	0.041	21	109.4728	0.002	21	109.4679	0.002	62	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	H(CCHH)	109.4443	0.012	3	109.4443	0.000	3	109.4679	0.002	62	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	H(CCHH)	109.4383	0.012	3	109.4383	0.000	3	109.4679	0.002	62	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	H(CCHH)	109.4337	0.060	6	109.4337	0.004	6	109.4679	0.002	62	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NPdC)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NPdC)(CH3)2	H(CCHH)	109.4525	0.025	4	109.4525	0.001	4	109.4679	0.002	62	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NZnC)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NZnC)(CH3)2	H(CCHH)	109.4757	0.037	9	109.4757	0.001	9	109.4679	0.002	62	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(OIrH)(CH3)2	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(OIrH)(CH3)2	H(CCHH)	109.4884	0.056	15	109.4884	0.003	15	109.4783	0.003	38	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(ONiH)(CH3)2	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(ONiH)(CH3)2	H(CCHH)	109.4780	0.023	5	109.4780	0.001	5	109.4783	0.003	38	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(OPdH)(CH3)2	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(OPdH)(CH3)2	H(CCHH)	109.4507	0.074	8	109.4507	0.006	8	109.4783	0.003	38	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-3:C-4:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(ORu2)(CH3)2	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(ORu2)(CH3)2	H(CCHH)	109.4855	0.046	10	109.4855	0.002	10	109.4783	0.003	38	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:B[5]-3:C-4:C-4:	C-4:	C(CC[6a]B[5]C)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	H(CCHH)	C(CC[6a]B[5]C)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	H(CCHH)	109.4803	0.035	3	109.4803	0.001	3	109.4803	0.001	3	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6]H)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6]H)(CH3)2	H(CCHH)	109.4628	0.044	5	109.4628	0.002	5	109.4958	0.059	100	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	H(CCHH)	109.4774	0.037	5	109.4774	0.001	5	109.4958	0.059	100	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CH3)2	H(CCHH)	109.4530	0.020	4	109.4530	0.000	4	109.4958	0.059	100	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CMoH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CMoH)(CH3)2	H(CCHH)	109.5148	0.305	62	109.5148	0.093	62	109.4958	0.059	100	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	H(CCHH)	109.4757	0.056	3	109.4757	0.003	3	109.4958	0.059	100	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CH3)2	H(CCHH)	109.4596	0.049	14	109.4596	0.002	14	109.4958	0.059	100	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPdN)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPdN)(CH3)2	H(CCHH)	109.4699	0.057	7	109.4699	0.003	7	109.4958	0.059	100	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(H)3	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	H(CCHH)	C(CC[5a]C[6a]C)(H)3	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	H(CCHH)	109.4574	0.029	8	109.4574	0.001	8	109.4574	0.001	8	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C-4:C-4:	C-4:	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	H(CCHH)	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	H(CCHH)	111.0841	1.756	26	111.0841	3.082	26	111.0841	3.082	26	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.4555	0.026	8	109.4555	0.001	8	109.7175	1.605	487	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CCHH)(CH3)	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CCHH)(CH3)	H(CCHH)	109.4797	0.030	6	109.4797	0.001	6	109.7175	1.605	487	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	H(CCHH)	109.4860	0.000	1	109.4860	0.000	1	109.7175	1.605	487	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	H(CCHH)	109.4483	0.041	3	109.4483	0.002	3	109.7175	1.605	487	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CH3)2	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CH3)2	H(CCHH)	109.7294	1.295	465	109.7294	1.678	465	109.7175	1.605	487	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(H)3	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	H(CCHH)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	H(CCHH)	109.4737	0.017	4	109.4737	0.000	4	109.7175	1.605	487	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(CC[6a]2C[5])(H)3	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	H(CCHH)	C(CC[6a]2C[5])(H)3	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	H(CCHH)	109.4855	0.028	2	109.4855	0.001	2	109.4855	0.001	2	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	H(CCHH)	109.4734	0.024	8	109.4734	0.001	8	109.4711	0.222	45	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NCoH)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NCoH)(CH3)2	H(CCHH)	109.4712	0.047	5	109.4712	0.002	5	109.4711	0.222	45	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NIrH)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NIrH)(CH3)2	H(CCHH)	109.4625	1.393	6	109.4625	1.941	6	109.4711	0.222	45	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NSiTi)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NSiTi)(CH3)2	H(CCHH)	109.4752	0.025	5	109.4752	0.001	5	109.4711	0.222	45	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NTiC)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NTiC)(CH3)2	H(CCHH)	109.4598	0.047	5	109.4598	0.002	5	109.4711	0.222	45	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	H(CCHH)	109.4773	0.037	3	109.4773	0.001	3	109.4711	0.222	45	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	H(CCHH)	109.4748	0.036	13	109.4748	0.001	13	109.4711	0.222	45	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:	C(CC[6a]N[5]C)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	H(CCHH)	C(CC[6a]N[5]C)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	H(CCHH)	109.4457	0.022	3	109.4457	0.000	3	109.4647	0.001	8	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:	C(CC[6a]N[5]C)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	H(CCHH)	C(CC[6a]N[5]C)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	H(CCHH)	109.4762	0.034	5	109.4762	0.001	5	109.4647	0.001	8	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5a]-3:C-4:C-4:	C-4:	C(CC[6a]N[5a]C)(H)3	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	H(CCHH)	C(CC[6a]N[5a]C)(H)3	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	H(CCHH)	109.4912	0.041	5	109.4912	0.002	5	109.4912	0.002	5	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:O-3:C-4:C-4:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(OFe2)(CH3)2	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(OFe2)(CH3)2	H(CCHH)	109.4752	0.021	5	109.4752	0.000	5	109.4752	0.000	5	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:N-3:C-4:C-4:	C-4:	C(CCNN)(H)3	C(NC[6a]H)2(CH3)2	H(CCHH)	C(CCNN)(H)3	C(NC[6a]H)2(CH3)2	H(CCHH)	109.4842	0.030	5	109.4842	0.001	5	109.4842	0.001	5	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	N[5,6]-3:C[6a]-3:C-4:C-4:	C-4:	C(CN[5,6]C[6a]C)(H)3	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CN[5,6]C[6a]C)(H)3	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.4830	0.049	4	109.4830	0.002	4	109.4830	0.002	4	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(CN[5]2C)(H)3	C(N[5]C[5]N[5])2(CH3)2	H(CCHH)	C(CN[5]2C)(H)3	C(N[5]C[5]N[5])2(CH3)2	H(CCHH)	109.8701	0.497	10	109.8701	0.247	10	109.8701	0.247	10	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:3:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]N[5a]C)(H)3	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	H(CCHH)	C(CC[5a]N[5a]C)(H)3	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	H(CCHH)	109.4896	0.048	14	109.4896	0.002	14	109.4896	0.002	14	109.5761	0.631	2318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(Br)(H)2	C(C[6]C[6]2)(CBrHH)(H)2	H(CBrCH)	C(CC[6]HH)(Br)(H)2	C(C[6]C[6]2)(CBrHH)(H)2	H(CBrCH)	109.1260	0.014	2	109.1260	0.000	2	109.1260	0.000	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:Br-1:Br-1:	C-4:	C(CC[6a]Br2)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(Br)2	H(CBrCH)	C(CC[6a]Br2)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(Br)2	H(CBrCH)	109.5275	0.005	2	109.5275	0.000	2	109.5275	0.000	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(Br)(H)2	C(NC[6a]C)(CBrHH)(H)2	H(CBrCH)	C(CHHN)(Br)(H)2	C(NC[6a]C)(CBrHH)(H)2	H(CBrCH)	109.5855	0.313	6	109.5855	0.098	6	109.5855	0.098	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(Br)(H)2	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	H(CBrCH)	C(CN[5]HH)(Br)(H)2	C(N[5]C[5,6a]C[5])(CBrHH)(H)2	H(CBrCH)	109.0300	0.047	3	109.0300	0.002	3	110.0728	3.035	13	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(Br)(H)2	C(N[5]C[5]2)(CBrHH)(H)2	H(CBrCH)	C(CN[5]HH)(Br)(H)2	C(N[5]C[5]2)(CBrHH)(H)2	H(CBrCH)	109.6221	0.473	8	109.6221	0.224	8	110.0728	3.035	13	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(Br)(H)2	C(N[5]C[5]N[5])(CBrHH)(H)2	H(CBrCH)	C(CN[5]HH)(Br)(H)2	C(N[5]C[5]N[5])(CBrHH)(H)2	H(CBrCH)	113.4395	2.700	2	113.4395	7.292	2	110.0728	3.035	13	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Br)(H)2	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	H(CBrCH)	C(CN[5a]HH)(Br)(H)2	C(N[5a]C[5a,6a]2)(CBrHH)(H)2	H(CBrCH)	109.1760	0.032	4	109.1760	0.001	4	109.3816	0.109	10	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Br)(H)2	C(N[5a]C[5a]2)(CBrHH)(H)2	H(CBrCH)	C(CN[5a]HH)(Br)(H)2	C(N[5a]C[5a]2)(CBrHH)(H)2	H(CBrCH)	109.2575	0.019	2	109.2575	0.000	2	109.3816	0.109	10	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Br)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	H(CBrCH)	C(CN[5a]HH)(Br)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(H)2	H(CBrCH)	109.6492	0.405	4	109.6492	0.164	4	109.3816	0.109	10	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(Br)(H)2	C(N[6]C[6]2)(CBrHH)(H)2	H(CBrCH)	C(CN[6]HH)(Br)(H)2	C(N[6]C[6]2)(CBrHH)(H)2	H(CBrCH)	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Br-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(Br)(H)2	C(SC[6a]2)(CBrHH)(H)2	H(CBrCH)	C(CHHS)(Br)(H)2	C(SC[6a]2)(CBrHH)(H)2	H(CBrCH)	111.4530	2.121	2	111.4530	4.500	2	111.4530	4.500	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(Cl)(H)2	C(C[4]C[4,6]C[4])(CClHH)(H)2	H(CClCH)	C(CC[4]HH)(Cl)(H)2	C(C[4]C[4,6]C[4])(CClHH)(H)2	H(CClCH)	109.2757	0.026	3	109.2757	0.001	3	109.2757	0.001	3	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(Cl)(H)2	C(C[5]C[5]2)(CClHH)(H)2	H(CClCH)	C(CC[5]HH)(Cl)(H)2	C(C[5]C[5]2)(CClHH)(H)2	H(CClCH)	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(Cl)(H)2	C(C[6]C[6]2)(CClHH)(H)2	H(CClCH)	C(CC[6]HH)(Cl)(H)2	C(C[6]C[6]2)(CClHH)(H)2	H(CClCH)	109.3483	0.242	6	109.3483	0.059	6	109.3483	0.059	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(Cl)(H)2	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	H(CClCH)	C(CC[6a]HH)(Cl)(H)2	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	H(CClCH)	108.6840	0.000	1	108.6840	0.000	1	109.3765	0.059	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(Cl)(H)2	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	H(CClCH)	C(CC[6a]HH)(Cl)(H)2	C(C[6a]C[6a,6a]C[6a])(CClHH)(H)2	H(CClCH)	109.4984	0.205	8	109.4984	0.042	8	109.3765	0.059	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(H)2	H(CClCH)	C(CC[6a]HH)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(H)2	H(CClCH)	109.3413	0.081	8	109.3413	0.007	8	109.3765	0.059	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(NC[6]H)(CClHH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(NC[6]H)(CClHH)(H)2	H(CClCH)	109.5630	0.035	2	109.5630	0.001	2	109.7969	1.328	51	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(NC[6a]C)(CClHH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(NC[6a]C)(CClHH)(H)2	H(CClCH)	109.7714	1.152	29	109.7714	1.328	29	109.7969	1.328	51	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(NC[6a]H)(CClHH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(NC[6a]H)(CClHH)(H)2	H(CClCH)	110.1912	1.963	8	110.1912	3.852	8	109.7969	1.328	51	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(NP[5]C)(CClHH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(NP[5]C)(CClHH)(H)2	H(CClCH)	109.5578	0.176	5	109.5578	0.031	5	109.7969	1.328	51	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(NP[6]C)(CClHH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(NP[6]C)(CClHH)(H)2	H(CClCH)	109.6890	0.261	7	109.6890	0.068	7	109.7969	1.328	51	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(Cl)(H)2	C(N[5]C[3,5]C[5])(CClHH)(H)2	H(CClCH)	C(CN[5]HH)(Cl)(H)2	C(N[5]C[3,5]C[5])(CClHH)(H)2	H(CClCH)	113.7805	6.024	2	113.7805	36.287	2	110.8947	12.258	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(Cl)(H)2	C(N[5]C[5]2)(CClHH)(H)2	H(CClCH)	C(CN[5]HH)(Cl)(H)2	C(N[5]C[5]2)(CClHH)(H)2	H(CClCH)	109.5195	0.015	2	109.5195	0.000	2	110.8947	12.258	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(Cl)(H)2	C(N[5]P[5,6]C[5])(CClHH)(H)2	H(CClCH)	C(CN[5]HH)(Cl)(H)2	C(N[5]P[5,6]C[5])(CClHH)(H)2	H(CClCH)	109.3840	0.004	2	109.3840	0.000	2	110.8947	12.258	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a,6a]2)(CClHH)(H)2	H(CClCH)	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a,6a]2)(CClHH)(H)2	H(CClCH)	109.2370	0.013	2	109.2370	0.000	2	109.2938	0.129	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	H(CClCH)	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a,6a]C[5a])(CClHH)(H)2	H(CClCH)	109.0692	0.427	4	109.0692	0.182	4	109.2938	0.129	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	H(CClCH)	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a,6a]N[5a])(CClHH)(H)2	H(CClCH)	109.5255	0.386	4	109.5255	0.149	4	109.2938	0.129	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a]2)(CClHH)(H)2	H(CClCH)	C(CN[5a]HH)(Cl)(H)2	C(N[5a]C[5a]2)(CClHH)(H)2	H(CClCH)	109.3360	0.016	2	109.3360	0.000	2	109.2938	0.129	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]2)(CClHH)(H)2	H(CClCH)	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]2)(CClHH)(H)2	H(CClCH)	109.6711	2.290	10	109.6711	5.246	10	109.8243	14.075	20	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]N[6])(CClHH)(H)2	H(CClCH)	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]N[6])(CClHH)(H)2	H(CClCH)	108.9230	14.706	2	108.9230	216.280	2	109.8243	14.075	20	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]P[6])(CClHH)(H)2	H(CClCH)	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]P[6])(CClHH)(H)2	H(CClCH)	110.2411	0.313	8	110.2411	0.098	8	109.8243	14.075	20	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a,6a]2)(CClHH)(H)2	H(CClCH)	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a,6a]2)(CClHH)(H)2	H(CClCH)	110.1535	0.032	2	110.1535	0.001	2	110.3563	9.068	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a]2)(CClHH)(H)2	H(CClCH)	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a]2)(CClHH)(H)2	H(CClCH)	110.3512	0.943	4	110.3512	0.890	4	110.3563	9.068	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a]N[6a])(CClHH)(H)2	H(CClCH)	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a]N[6a])(CClHH)(H)2	H(CClCH)	110.4273	4.404	6	110.4273	19.392	6	110.3563	9.068	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(F)2(H)	C(CC[6a]O)(CFFH)(H)2	H(CCFF)	C(CCHH)(F)2(H)	C(CC[6a]O)(CFFH)(H)2	H(CCFF)	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:F-1:F-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(F)2(H)	C(NC[6a]H)(CFFH)(H)2	H(CCFF)	C(CHHN)(F)2(H)	C(NC[6a]H)(CFFH)(H)2	H(CCFF)	109.7337	0.360	3	109.7337	0.130	3	109.7337	0.130	3	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:F-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(F)(H)2	C(N[6]C[6,6a]C[6])(CFHH)(H)2	H(CCFH)	C(CN[6]HH)(F)(H)2	C(N[6]C[6,6a]C[6])(CFHH)(H)2	H(CCFH)	109.6535	0.029	2	109.6535	0.001	2	109.6535	0.001	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:F-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(F)(H)2	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	H(CCFH)	C(CN[6a]HH)(F)(H)2	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	H(CCFH)	109.8750	0.000	1	109.8750	0.000	1	109.8750	0.000	1	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6]-3:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(H)3	C(B[6]C[6,6a]2)(CH3)(H)2	H(CCHH)	C(CB[6]HH)(H)3	C(B[6]C[6,6a]2)(CH3)(H)2	H(CCHH)	109.4670	0.024	2	109.4670	0.001	2	109.4670	0.001	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CC[5a]O)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CC[5a]O)(CH3)(Br)(H)	H(CCHH)	109.4860	0.020	2	109.4860	0.000	2	109.4711	0.001	10	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CC[6a]O)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CC[6a]O)(CH3)(Br)(H)	H(CCHH)	109.4693	0.045	3	109.4693	0.002	3	109.4711	0.001	10	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CN[5]O)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CN[5]O)(CH3)(Br)(H)	H(CCHH)	109.4593	0.017	3	109.4593	0.000	3	109.4711	0.001	10	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CN[6]O)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CN[6]O)(CH3)(Br)(H)	H(CCHH)	109.4765	0.037	2	109.4765	0.001	2	109.4711	0.001	10	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CAgC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CAgC)(CH3)(H)2	H(CCHH)	109.4770	0.025	3	109.4770	0.001	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CAlC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CAlC)(CH3)(H)2	H(CCHH)	109.4734	0.021	14	109.4734	0.000	14	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CB[5x3,5x5,20x6]C)(CH3)(H)2	H(CCHH)	109.4330	0.021	3	109.4330	0.000	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5,6]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5,6]O)(CH3)(H)2	H(CCHH)	109.4790	0.042	3	109.4790	0.002	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]C)(CH3)(H)2	H(CCHH)	110.6266	1.558	24	110.6266	2.428	24	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]H)(CH3)(H)2	H(CCHH)	109.4668	0.031	14	109.4668	0.001	14	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]N)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]N)(CH3)(H)2	H(CCHH)	109.4676	0.025	9	109.4676	0.001	9	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]O)(CH3)(H)2	H(CCHH)	109.4849	0.151	7	109.4849	0.023	7	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]Pd)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]Pd)(CH3)(H)2	H(CCHH)	110.1610	1.873	3	110.1610	3.507	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]S)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]S)(CH3)(H)2	H(CCHH)	109.4623	0.017	3	109.4623	0.000	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]2)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]2)(CH3)(H)2	H(CCHH)	109.4565	0.030	6	109.4565	0.001	6	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]C)(CH3)(H)2	H(CCHH)	109.4783	0.021	4	109.4783	0.000	4	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]C[5])(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]C[5])(CH3)(H)2	H(CCHH)	109.4779	0.026	8	109.4779	0.001	8	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]N)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]N)(CH3)(H)2	H(CCHH)	109.4571	0.018	7	109.4571	0.000	7	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]O)(CH3)(H)2	H(CCHH)	109.4599	0.034	11	109.4599	0.001	11	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5x3,5x5,20x6]C)(CH3)(H)2	H(CCHH)	109.4707	0.025	3	109.4707	0.001	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]H)(CH3)(H)2	H(CCHH)	109.4620	0.015	3	109.4620	0.000	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]N)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]N)(CH3)(H)2	H(CCHH)	109.4694	0.042	31	109.4694	0.002	31	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]O)(CH3)(H)2	H(CCHH)	109.4681	0.028	9	109.4681	0.001	9	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C)(CH3)(H)2	H(CCHH)	109.4873	0.379	168	109.4873	0.144	168	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C[5])(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C[5])(CH3)(H)2	H(CCHH)	109.4307	0.033	3	109.4307	0.001	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C[6])(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C[6])(CH3)(H)2	H(CCHH)	109.4832	0.035	5	109.4832	0.001	5	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]H)(CH3)(H)2	H(CCHH)	109.4760	0.046	7	109.4760	0.002	7	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]Ir)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]Ir)(CH3)(H)2	H(CCHH)	109.4573	0.041	3	109.4573	0.002	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]N)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]N)(CH3)(H)2	H(CCHH)	109.6314	1.125	90	109.6314	1.266	90	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]O)(CH3)(H)2	H(CCHH)	109.5011	1.184	50	109.5011	1.402	50	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CClC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CClC)(CH3)(H)2	H(CCHH)	110.8730	2.038	6	110.8730	4.152	6	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCoO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCoO)(CH3)(H)2	H(CCHH)	109.5047	0.022	3	109.5047	0.000	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCuC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCuC)(CH3)(H)2	H(CCHH)	108.2808	3.643	8	108.2808	13.274	8	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CFeC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CFeC)(CH3)(H)2	H(CCHH)	109.2574	0.452	14	109.2574	0.205	14	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CGeC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CGeC)(CH3)(H)2	H(CCHH)	109.4880	0.040	3	109.4880	0.002	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CIrC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CIrC)(CH3)(H)2	H(CCHH)	109.5090	0.038	3	109.5090	0.001	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CMgC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CMgC)(CH3)(H)2	H(CCHH)	109.4823	0.019	3	109.4823	0.000	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CMnO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CMnO)(CH3)(H)2	H(CCHH)	109.4413	0.023	3	109.4413	0.001	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CMoC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CMoC)(CH3)(H)2	H(CCHH)	109.4697	0.054	3	109.4697	0.003	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5]O)(CH3)(H)2	H(CCHH)	109.4606	0.110	16	109.4606	0.012	16	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5a]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5a]H)(CH3)(H)2	H(CCHH)	109.4637	0.100	3	109.4637	0.010	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5a]N)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5a]N)(CH3)(H)2	H(CCHH)	109.4675	0.050	15	109.4675	0.002	15	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5a]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5a]O)(CH3)(H)2	H(CCHH)	109.4697	0.025	3	109.4697	0.001	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[6,6]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[6,6]O)(CH3)(H)2	H(CCHH)	109.4700	0.000	1	109.4700	0.000	1	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[6]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[6]O)(CH3)(H)2	H(CCHH)	109.4769	0.029	18	109.4769	0.001	18	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CNiC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CNiC)(CH3)(H)2	H(CCHH)	109.4483	0.052	7	109.4483	0.003	7	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CNiN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CNiN)(CH3)(H)2	H(CCHH)	109.5023	0.020	3	109.5023	0.000	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CPdC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CPdC)(CH3)(H)2	H(CCHH)	109.4758	0.036	10	109.4758	0.001	10	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CPtO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CPtO)(CH3)(H)2	H(CCHH)	109.4693	0.037	3	109.4693	0.001	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRe2)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRe2)(CH3)(H)2	H(CCHH)	109.4483	0.087	3	109.4483	0.007	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CReO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CReO)(CH3)(H)2	H(CCHH)	109.4770	0.044	5	109.4770	0.002	5	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRhC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRhC)(CH3)(H)2	H(CCHH)	109.4740	0.000	1	109.4740	0.000	1	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRhO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRhO)(CH3)(H)2	H(CCHH)	109.5033	0.048	3	109.5033	0.002	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRuC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRuC)(CH3)(H)2	H(CCHH)	109.4612	0.030	10	109.4612	0.001	10	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSiC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSiC)(CH3)(H)2	H(CCHH)	109.4835	0.046	2	109.4835	0.002	2	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSnC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSnC)(CH3)(H)2	H(CCHH)	109.4711	0.047	15	109.4711	0.002	15	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CTaC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CTaC)(CH3)(H)2	H(CCHH)	109.4670	0.000	1	109.4670	0.000	1	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CTiN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CTiN)(CH3)(H)2	H(CCHH)	109.4773	0.068	3	109.4773	0.005	3	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CZnC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CZnC)(CH3)(H)2	H(CCHH)	109.4619	0.064	7	109.4619	0.004	7	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CZrC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CZrC)(CH3)(H)2	H(CCHH)	109.4813	0.048	6	109.4813	0.002	6	109.5365	0.659	672	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:H-1:I-1:	C-4:	C(CCHI)(H)3	C(CC[6]O)(CH3)(H)(I)	H(CCHH)	C(CCHI)(H)3	C(CC[6]O)(CH3)(H)(I)	H(CCHH)	109.4636	0.028	5	109.4636	0.001	5	109.4636	0.001	5	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3,5]C[3])(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3,5]C[3])(CH3)(H)2	H(CCHH)	109.4688	0.029	4	109.4688	0.001	4	109.4586	0.001	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3,6]C[3])(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3,6]C[3])(CH3)(H)2	H(CCHH)	109.4160	0.045	3	109.4160	0.002	3	109.4586	0.001	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3]2)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3]2)(CH3)(H)2	H(CCHH)	109.4865	0.012	2	109.4865	0.000	2	109.4586	0.001	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]Si[3]C[3])(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]Si[3]C[3])(CH3)(H)2	H(CCHH)	109.4690	0.008	3	109.4690	0.000	3	109.4586	0.001	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3a]-3:C-4:H-1:H-1:	C-4:	C(CC[3a]HH)(H)3	C(C[3a]Si[3a]C[3a])(CH3)(H)2	H(CCHH)	C(CC[3a]HH)(H)3	C(C[3a]Si[3a]C[3a])(CH3)(H)2	H(CCHH)	109.4704	0.022	5	109.4704	0.000	5	109.4704	0.000	5	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4]2)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4]2)(CH3)(H)2	H(CCHH)	109.4577	0.042	3	109.4577	0.002	3	109.4538	0.002	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]Si[4,4]C[4])(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]Si[4,4]C[4])(CH3)(H)2	H(CCHH)	109.4530	0.052	14	109.4530	0.003	14	109.4538	0.002	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)(H)2	H(CCHH)	109.4860	0.046	5	109.4860	0.002	5	109.4860	0.002	5	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]B[5]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]B[5]C[5])(CH3)(H)2	H(CCHH)	109.4790	0.007	2	109.4790	0.000	2	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5,6]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5,6]C[5])(CH3)(H)2	H(CCHH)	109.4600	0.006	2	109.4600	0.000	2	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5,6])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5,6])(CH3)(H)2	H(CCHH)	109.4790	0.035	3	109.4790	0.001	3	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5])(CH3)(H)2	H(CCHH)	109.4690	0.016	2	109.4690	0.000	2	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]N[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]N[5])(CH3)(H)2	H(CCHH)	109.4800	0.055	5	109.4800	0.003	5	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5a]C[5,6a])(CH3)(H)2	H(CCHH)	109.4597	0.011	3	109.4597	0.000	3	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]2)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]2)(CH3)(H)2	H(CCHH)	109.4720	0.009	3	109.4720	0.000	3	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5])(CH3)(H)2	H(CCHH)	109.8827	3.948	3	109.8827	15.587	3	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]N[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]N[5])(CH3)(H)2	H(CCHH)	109.4857	0.028	3	109.4857	0.001	3	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5])(CH3)(H)2	H(CCHH)	109.4512	0.069	6	109.4512	0.005	6	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2)(CH3)(H)2	H(CCHH)	109.7033	2.541	437	109.7033	6.458	437	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]N[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]N[5])(CH3)(H)2	H(CCHH)	109.4571	0.104	77	109.4571	0.011	77	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]O[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]O[5])(CH3)(H)2	H(CCHH)	109.4610	0.034	5	109.4610	0.001	5	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]P[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]P[5])(CH3)(H)2	H(CCHH)	109.3280	1.724	21	109.3280	2.972	21	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]S[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]S[5])(CH3)(H)2	H(CCHH)	109.4615	0.026	4	109.4615	0.001	4	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5,5]N[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5,5]N[5])(CH3)(H)2	H(CCHH)	109.4738	0.020	6	109.4738	0.000	6	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5]2)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5]2)(CH3)(H)2	H(CCHH)	109.4726	1.592	98	109.4726	2.534	98	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5]O[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5]O[5])(CH3)(H)2	H(CCHH)	109.4788	0.048	38	109.4788	0.002	38	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5]S[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5]S[5])(CH3)(H)2	H(CCHH)	109.4820	0.016	2	109.4820	0.000	2	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]Si[5]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]Si[5]C[5])(CH3)(H)2	H(CCHH)	109.4667	0.030	3	109.4667	0.001	3	109.6079	4.382	723	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5,5a]C[5a])(CH3)(H)2	H(CCHH)	109.4940	0.030	2	109.4940	0.001	2	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5,5a]S[5a])(CH3)(H)2	H(CCHH)	109.4808	0.023	4	109.4808	0.001	4	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6]C[5a])(CH3)(H)2	H(CCHH)	110.5478	4.486	125	110.5478	20.129	125	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)(H)2	H(CCHH)	109.4460	0.021	2	109.4460	0.000	2	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6a]C[5,5a])(CH3)(H)2	H(CCHH)	109.4760	0.006	2	109.4760	0.000	2	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CCHH)	109.4744	0.030	28	109.4744	0.001	28	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a,6a]N[5a,6a])(CH3)(H)2	H(CCHH)	110.0250	2.743	3	110.0250	7.522	3	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a]2)(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a]2)(CH3)(H)2	H(CCHH)	109.5316	0.825	2344	109.5316	0.680	2344	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a]N[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a]N[5a])(CH3)(H)2	H(CCHH)	109.5385	0.779	70	109.5385	0.606	70	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a]O[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a]O[5a])(CH3)(H)2	H(CCHH)	109.4789	0.022	7	109.4789	0.000	7	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]C[5a]S[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]C[5a]S[5a])(CH3)(H)2	H(CCHH)	109.7539	0.610	52	109.7539	0.372	52	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]N[5a,5a]C[5a])(CH3)(H)2	H(CCHH)	108.5673	0.622	3	108.5673	0.387	3	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]N[5a,5a]N[5a])(CH3)(H)2	H(CCHH)	109.4974	0.056	5	109.4974	0.003	5	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]N[5a,6]C[5a])(CH3)(H)2	H(CCHH)	109.4655	0.019	2	109.4655	0.000	2	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]N[5a,6]N[5a])(CH3)(H)2	H(CCHH)	109.4513	0.070	3	109.4513	0.005	3	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]N[5a]2)(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]N[5a]2)(CH3)(H)2	H(CCHH)	109.5787	0.494	60	109.5787	0.244	60	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)3	C(C[5a]N[5a]S[5a])(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(H)3	C(C[5a]N[5a]S[5a])(CH3)(H)2	H(CCHH)	109.4896	0.391	21	109.4896	0.153	21	109.5816	1.579	2733	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	H(CCHH)	109.9092	2.660	42	109.9092	7.075	42	109.8000	6.786	45	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	H(CCHH)	108.2710	0.708	3	108.2710	0.501	3	109.8000	6.786	45	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	H(CCHH)	109.4767	0.037	6	109.4767	0.001	6	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CCHH)	109.4739	0.042	10	109.4739	0.002	10	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	H(CCHH)	109.4543	0.031	8	109.4543	0.001	8	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[4,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[4,6]C[6])(CH3)(H)2	H(CCHH)	109.4746	0.046	18	109.4746	0.002	18	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5,6]C[6])(CH3)(H)2	H(CCHH)	109.4980	0.012	3	109.4980	0.000	3	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	H(CCHH)	109.4662	0.044	33	109.4662	0.002	33	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6])(CH3)(H)2	H(CCHH)	109.4720	0.006	2	109.4720	0.000	2	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]2)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]2)(CH3)(H)2	H(CCHH)	109.4570	0.021	3	109.4570	0.000	3	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6])(CH3)(H)2	H(CCHH)	109.7829	0.592	11	109.7829	0.350	11	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]N[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]N[6])(CH3)(H)2	H(CCHH)	109.4503	0.056	6	109.4503	0.003	6	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2)(CH3)(H)2	H(CCHH)	109.5142	0.552	215	109.5142	0.305	215	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]N[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]N[6])(CH3)(H)2	H(CCHH)	109.4583	0.869	183	109.4583	0.756	183	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]O[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]O[6])(CH3)(H)2	H(CCHH)	109.4709	0.090	29	109.4709	0.008	29	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]S[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]S[6])(CH3)(H)2	H(CCHH)	109.4763	0.017	3	109.4763	0.000	3	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]Ge[5,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]Ge[5,6]C[6])(CH3)(H)2	H(CCHH)	109.4707	0.031	6	109.4707	0.001	6	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]Ge[6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]Ge[6]C[6])(CH3)(H)2	H(CCHH)	109.4602	0.024	5	109.4602	0.001	5	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]N[5,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]N[5,6]C[6])(CH3)(H)2	H(CCHH)	109.4793	0.026	3	109.4793	0.001	3	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]N[6,6a]O[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]N[6,6a]O[6])(CH3)(H)2	H(CCHH)	109.4825	0.021	4	109.4825	0.000	4	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]N[6]2)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]N[6]2)(CH3)(H)2	H(CCHH)	109.4790	0.019	12	109.4790	0.000	12	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]Si[6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]Si[6]C[6])(CH3)(H)2	H(CCHH)	109.4676	0.024	11	109.4676	0.001	11	109.4889	0.365	571	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:H-1:O-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2)(CH3)(H)(O)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2)(CH3)(H)(O)	H(CCHH)	109.1780	2.827	3	109.1780	7.993	3	109.1780	7.993	3	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(H)3	C(C[6a]C[6a]2)(CH3)(Br)(H)	H(CCHH)	C(CC[6a]BrH)(H)3	C(C[6a]C[6a]2)(CH3)(Br)(H)	H(CCHH)	109.4780	0.018	5	109.4780	0.000	5	109.4780	0.000	5	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-1:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(C)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(C)(H)	H(CCHH)	110.1370	0.911	6	110.1370	0.831	6	110.1370	0.831	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	H(CCHH)	C(CC[6a]ClH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(Cl)(H)	H(CCHH)	109.4753	0.024	3	109.4753	0.001	3	109.4753	0.001	3	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	H(CCHH)	109.4676	0.022	5	109.4676	0.000	5	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	H(CCHH)	109.5004	0.099	34	109.5004	0.010	34	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[5a,6a]2)(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[5a,6a]2)(CH3)(H)2	H(CCHH)	109.4727	0.023	3	109.4727	0.001	3	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CCHH)	109.4400	0.000	1	109.4400	0.000	1	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CCHH)	110.2805	2.526	34	110.2805	6.382	34	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6,6,6a]C[6a])(CH3)(H)2	H(CCHH)	109.4604	0.290	11	109.4604	0.084	11	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)(H)2	H(CCHH)	109.4627	0.034	18	109.4627	0.001	18	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6,6a]N[6a])(CH3)(H)2	H(CCHH)	109.4547	0.015	3	109.4547	0.000	3	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	H(CCHH)	109.4240	0.013	2	109.4240	0.000	2	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]2)(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]2)(CH3)(H)2	H(CCHH)	109.7292	0.792	6	109.7292	0.627	6	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	H(CCHH)	109.4564	0.033	5	109.4564	0.001	5	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CCHH)	109.6102	0.844	71	109.6102	0.713	71	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(CH3)(H)2	H(CCHH)	109.5023	0.754	2389	109.5023	0.569	2389	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6a]N[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6a]N[6a])(CH3)(H)2	H(CCHH)	109.5163	0.604	132	109.5163	0.365	132	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]C[6a]O[6a])(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]C[6a]O[6a])(CH3)(H)2	H(CCHH)	109.4729	0.233	29	109.4729	0.054	29	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)3	C(C[6a]N[6a]2)(CH3)(H)2	H(CCHH)	C(CC[6a]HH)(H)3	C(C[6a]N[6a]2)(CH3)(H)2	H(CCHH)	109.4698	0.025	20	109.4698	0.001	20	109.5145	0.613	2763	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(H)(O)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(H)(O)	H(CCHH)	109.4268	3.565	12	109.4268	12.708	12	109.4268	12.708	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga-3:C-4:H-1:H-1:	C-4:	C(CGaHH)(H)3	C(GaCC)(CH3)(H)2	H(CCHH)	C(CGaHH)(H)3	C(GaCC)(CH3)(H)2	H(CCHH)	109.5104	0.052	11	109.5104	0.003	11	109.5031	0.003	14	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga-3:C-4:H-1:H-1:	C-4:	C(CGaHH)(H)3	C(GaC[6a]2)(CH3)(H)2	H(CCHH)	C(CGaHH)(H)3	C(GaC[6a]2)(CH3)(H)2	H(CCHH)	109.4767	0.040	3	109.4767	0.002	3	109.5031	0.003	14	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga[6,6]-3:C-4:H-1:H-1:	C-4:	C(CGa[6,6]HH)(H)3	C(Ga[6,6]C[3x6]2)(CH3)(H)2	H(CCHH)	C(CGa[6,6]HH)(H)3	C(Ga[6,6]C[3x6]2)(CH3)(H)2	H(CCHH)	109.4842	0.036	12	109.4842	0.001	12	109.4842	0.001	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge-3:C-4:H-1:H-1:	C-4:	C(CGeHH)(H)3	C(GeMoC)(CH3)(H)2	H(CCHH)	C(CGeHH)(H)3	C(GeMoC)(CH3)(H)2	H(CCHH)	109.4675	0.037	4	109.4675	0.001	4	109.4675	0.001	4	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	In-3:C-4:H-1:H-1:	C-4:	C(CInHH)(H)3	C(InCS)(CH3)(H)2	H(CCHH)	C(CInHH)(H)3	C(InCS)(CH3)(H)2	H(CCHH)	109.4662	0.038	5	109.4662	0.001	5	109.4629	0.001	7	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	In-3:C-4:H-1:H-1:	C-4:	C(CInHH)(H)3	C(InGa[6]2)(CH3)(H)2	H(CCHH)	C(CInHH)(H)3	C(InGa[6]2)(CH3)(H)2	H(CCHH)	109.4545	0.011	2	109.4545	0.000	2	109.4629	0.001	7	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NAlC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NAlC)(CH3)(H)2	H(CCHH)	109.4617	0.118	11	109.4617	0.014	11	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NB[3x3,3x5,12x6]C)(CH3)(H)2	H(CCHH)	109.4576	0.066	5	109.4576	0.004	5	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NB[5]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NB[5]C)(CH3)(H)2	H(CCHH)	109.4694	0.016	5	109.4694	0.000	5	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NB[6]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NB[6]C)(CH3)(H)2	H(CCHH)	109.4760	0.051	32	109.4760	0.003	32	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[3,3]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[3,3]C)(CH3)(H)2	H(CCHH)	109.4630	0.022	7	109.4630	0.000	7	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[3,6]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[3,6]C)(CH3)(H)2	H(CCHH)	109.4908	3.171	6	109.4908	10.052	6	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[3]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[3]C)(CH3)(H)2	H(CCHH)	109.4673	0.042	18	109.4673	0.002	18	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[4]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[4]C)(CH3)(H)2	H(CCHH)	109.5269	0.432	141	109.5269	0.187	141	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5]2)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5]2)(CH3)(H)2	H(CCHH)	109.4933	0.014	3	109.4933	0.000	3	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5]C)(CH3)(H)2	H(CCHH)	109.4665	0.034	39	109.4665	0.001	39	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5]H)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5]H)(CH3)(H)2	H(CCHH)	110.1135	0.916	8	110.1135	0.839	8	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5a]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5a]C)(CH3)(H)2	H(CCHH)	109.9458	1.951	33	109.9458	3.808	33	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5a]C[6a])(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5a]C[6a])(CH3)(H)2	H(CCHH)	109.4720	0.000	1	109.4720	0.000	1	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5a]H)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5a]H)(CH3)(H)2	H(CCHH)	109.3392	0.559	19	109.3392	0.313	19	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]Al)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]Al)(CH3)(H)2	H(CCHH)	109.4910	0.026	4	109.4910	0.001	4	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]C)(CH3)(H)2	H(CCHH)	109.5247	0.540	122	109.5247	0.292	122	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]H)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]H)(CH3)(H)2	H(CCHH)	109.4541	0.643	23	109.4541	0.413	23	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]S)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]S)(CH3)(H)2	H(CCHH)	109.4746	0.030	11	109.4746	0.001	11	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]Zn)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]Zn)(CH3)(H)2	H(CCHH)	109.4040	0.025	2	109.4040	0.001	2	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]2)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]2)(CH3)(H)2	H(CCHH)	109.5546	0.242	27	109.5546	0.059	27	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]C)(CH3)(H)2	H(CCHH)	109.5351	1.038	2415	109.5351	1.077	2415	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]C[5])(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]C[5])(CH3)(H)2	H(CCHH)	109.4790	0.013	2	109.4790	0.000	2	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]H)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]H)(CH3)(H)2	H(CCHH)	109.5473	0.501	192	109.5473	0.251	192	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]N)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]N)(CH3)(H)2	H(CCHH)	109.4791	0.030	23	109.4791	0.001	23	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]P)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]P)(CH3)(H)2	H(CCHH)	109.5046	0.185	5	109.5046	0.034	5	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]S)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]S)(CH3)(H)2	H(CCHH)	109.4761	0.030	23	109.4761	0.001	23	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCoC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCoC)(CH3)(H)2	H(CCHH)	109.4838	0.072	27	109.4838	0.005	27	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCuC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCuC)(CH3)(H)2	H(CCHH)	109.4635	0.061	28	109.4635	0.004	28	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NFeC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NFeC)(CH3)(H)2	H(CCHH)	109.4853	0.028	4	109.4853	0.001	4	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NGdC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NGdC)(CH3)(H)2	H(CCHH)	109.4731	0.062	7	109.4731	0.004	7	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NGeC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NGeC)(CH3)(H)2	H(CCHH)	109.4781	0.035	8	109.4781	0.001	8	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NGe[6]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NGe[6]C)(CH3)(H)2	H(CCHH)	109.4682	0.039	6	109.4682	0.002	6	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NIrC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NIrC)(CH3)(H)2	H(CCHH)	109.4920	0.033	3	109.4920	0.001	3	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMnC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMnC)(CH3)(H)2	H(CCHH)	109.4443	0.024	6	109.4443	0.001	6	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMoC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMoC)(CH3)(H)2	H(CCHH)	109.4667	0.026	14	109.4667	0.001	14	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMoSi)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMoSi)(CH3)(H)2	H(CCHH)	109.5220	0.031	3	109.5220	0.001	3	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NN[3]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NN[3]C)(CH3)(H)2	H(CCHH)	109.4667	0.032	3	109.4667	0.001	3	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NN[5a]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NN[5a]C)(CH3)(H)2	H(CCHH)	111.0895	2.347	24	111.0895	5.509	24	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NNiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NNiC)(CH3)(H)2	H(CCHH)	109.5922	0.494	27	109.5922	0.244	27	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NP[5]2)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NP[5]2)(CH3)(H)2	H(CCHH)	109.4740	0.000	1	109.4740	0.000	1	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NP[5]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NP[5]C)(CH3)(H)2	H(CCHH)	109.4744	0.034	10	109.4744	0.001	10	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NP[6]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NP[6]C)(CH3)(H)2	H(CCHH)	109.4766	0.030	22	109.4766	0.001	22	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NP[6]H)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NP[6]H)(CH3)(H)2	H(CCHH)	109.4330	0.040	3	109.4330	0.002	3	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NPdC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NPdC)(CH3)(H)2	H(CCHH)	110.7990	1.272	9	110.7990	1.617	9	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NReC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NReC)(CH3)(H)2	H(CCHH)	109.5177	0.017	3	109.5177	0.000	3	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSiC)(CH3)(H)2	H(CCHH)	109.4777	0.039	35	109.4777	0.002	35	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSi[5]C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSi[5]C)(CH3)(H)2	H(CCHH)	109.4691	0.046	11	109.4691	0.002	11	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSnC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSnC)(CH3)(H)2	H(CCHH)	109.4938	0.088	5	109.4938	0.008	5	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NZrC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NZrC)(CH3)(H)2	H(CCHH)	109.4715	0.006	2	109.4715	0.000	2	109.5464	0.912	3438	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:H-1:H-1:	C-4:	C(CN[3]HH)(H)3	C(N[3]C[3,4]2)(CH3)(H)2	H(CCHH)	C(CN[3]HH)(H)3	C(N[3]C[3,4]2)(CH3)(H)2	H(CCHH)	109.4490	0.061	3	109.4490	0.004	3	109.4490	0.004	3	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(H)3	C(N[4]Nb[4]C[4])(CH3)(H)2	H(CCHH)	C(CN[4]HH)(H)3	C(N[4]Nb[4]C[4])(CH3)(H)2	H(CCHH)	109.4250	0.027	3	109.4250	0.001	3	109.4542	0.002	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(H)3	C(N[4]P[4]2)(CH3)(H)2	H(CCHH)	C(CN[4]HH)(H)3	C(N[4]P[4]2)(CH3)(H)2	H(CCHH)	109.4833	0.047	3	109.4833	0.002	3	109.4542	0.002	6	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,5]C[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,5]C[5])(CH3)(H)2	H(CCHH)	109.8518	0.847	68	109.8518	0.717	68	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,5a]C[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,5a]C[5])(CH3)(H)2	H(CCHH)	109.4767	0.008	3	109.4767	0.000	3	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,6,6]C[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,6,6]C[5])(CH3)(H)2	H(CCHH)	109.4742	0.036	6	109.4742	0.001	6	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,6]C[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,6]C[5])(CH3)(H)2	H(CCHH)	109.4709	0.035	35	109.4709	0.001	35	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	H(CCHH)	109.4666	0.017	5	109.4666	0.000	5	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	H(CCHH)	109.3698	1.350	13	109.3698	1.821	13	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,6a]C[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,6a]C[5])(CH3)(H)2	H(CCHH)	109.5280	0.776	448	109.5280	0.602	448	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,6a]Ge[5])(CH3)(H)2	H(CCHH)	109.4517	0.062	6	109.4517	0.004	6	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5,6a]N[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5,6a]N[5])(CH3)(H)2	H(CCHH)	109.4630	0.034	6	109.4630	0.001	6	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]2)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]2)(CH3)(H)2	H(CCHH)	109.5024	0.565	1300	109.5024	0.320	1300	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]N[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]N[5])(CH3)(H)2	H(CCHH)	109.5544	1.037	133	109.5544	1.075	133	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]P[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]P[5])(CH3)(H)2	H(CCHH)	109.5233	0.045	3	109.5233	0.002	3	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]S[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]S[5])(CH3)(H)2	H(CCHH)	109.4330	0.030	6	109.4330	0.001	6	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]N[5]2)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]N[5]2)(CH3)(H)2	H(CCHH)	109.4761	0.058	9	109.4761	0.003	9	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]P[5,6]C[5])(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]P[5,6]C[5])(CH3)(H)2	H(CCHH)	109.4647	0.069	15	109.4647	0.005	15	109.5205	0.440	2056	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]2)(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]2)(CH3)(H)2	H(CCHH)	109.4760	0.019	3	109.4760	0.000	3	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]C[5a,6])(CH3)(H)2	H(CCHH)	109.4874	0.037	5	109.4874	0.001	5	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]C[5a,6a])(CH3)(H)2	H(CCHH)	109.4627	0.024	6	109.4627	0.001	6	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]C[5a])(CH3)(H)2	H(CCHH)	109.5045	0.018	2	109.5045	0.000	2	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,5a]N[5a])(CH3)(H)2	H(CCHH)	109.4700	0.004	2	109.4700	0.000	2	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)(H)2	H(CCHH)	109.4814	0.059	7	109.4814	0.004	7	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)(H)2	H(CCHH)	109.4793	0.040	8	109.4793	0.002	8	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]2)(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]2)(CH3)(H)2	H(CCHH)	109.4906	0.288	328	109.4906	0.083	328	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]B[5a])(CH3)(H)2	H(CCHH)	109.7106	0.764	150	109.7106	0.583	150	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]C[5a,6])(CH3)(H)2	H(CCHH)	109.4855	0.016	2	109.4855	0.000	2	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)(H)2	H(CCHH)	109.5339	0.664	110	109.5339	0.441	110	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]N[5a])(CH3)(H)2	H(CCHH)	109.4868	0.053	8	109.4868	0.003	8	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a]2)(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a]2)(CH3)(H)2	H(CCHH)	109.4653	0.042	52	109.4653	0.002	52	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a]N[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a]N[5a])(CH3)(H)2	H(CCHH)	109.0244	1.925	27	109.0244	3.704	27	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a]O[5a])(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a]O[5a])(CH3)(H)2	H(CCHH)	109.6133	0.745	3	109.6133	0.555	3	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]N[5a]2)(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]N[5a]2)(CH3)(H)2	H(CCHH)	109.4657	0.033	3	109.4657	0.001	3	109.5237	0.381	716	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(H)3	C(N[6,6]C[3x6]2)(CH3)(H)2	H(CCHH)	C(CN[6,6]HH)(H)3	C(N[6,6]C[3x6]2)(CH3)(H)2	H(CCHH)	109.4990	0.024	2	109.4990	0.001	2	109.4990	0.001	4	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(H)3	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	H(CCHH)	C(CN[6,6]HH)(H)3	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	H(CCHH)	109.4990	0.042	2	109.4990	0.002	2	109.4990	0.001	4	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[3x6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[3x6]C[6])(CH3)(H)2	H(CCHH)	109.4863	0.293	3	109.4863	0.086	3	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[4,5,6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[4,5,6]C[6])(CH3)(H)2	H(CCHH)	109.5185	0.011	2	109.5185	0.000	2	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[5,5,6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[5,5,6]C[6])(CH3)(H)2	H(CCHH)	109.4370	0.006	2	109.4370	0.000	2	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[5,6,6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[5,6,6]C[6])(CH3)(H)2	H(CCHH)	109.4780	0.044	51	109.4780	0.002	51	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[5,6]2)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[5,6]2)(CH3)(H)2	H(CCHH)	109.5857	0.471	31	109.5857	0.222	31	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[5,6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[5,6]C[6])(CH3)(H)2	H(CCHH)	109.4840	0.076	23	109.4840	0.006	23	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6]C[6])(CH3)(H)2	H(CCHH)	109.4607	0.042	6	109.4607	0.002	6	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]2)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]2)(CH3)(H)2	H(CCHH)	109.6493	1.018	108	109.6493	1.036	108	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	H(CCHH)	109.4755	0.026	52	109.4755	0.001	52	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	H(CCHH)	109.9010	0.525	3	109.9010	0.276	3	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]C[6])(CH3)(H)2	H(CCHH)	109.4777	0.653	131	109.4777	0.426	131	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]N[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]N[6])(CH3)(H)2	H(CCHH)	109.4733	0.032	6	109.4733	0.001	6	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]S[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]S[6])(CH3)(H)2	H(CCHH)	109.4765	0.031	28	109.4765	0.001	28	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	H(CCHH)	109.4832	0.028	5	109.4832	0.001	5	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6]2)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6]2)(CH3)(H)2	H(CCHH)	109.5049	0.476	391	109.5049	0.227	391	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6]N[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6]N[6])(CH3)(H)2	H(CCHH)	109.9070	8.210	6	109.9070	67.402	6	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6]S[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6]S[6])(CH3)(H)2	H(CCHH)	109.4904	0.033	9	109.4904	0.001	9	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]P[5,6,6]P[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]P[5,6,6]P[6])(CH3)(H)2	H(CCHH)	109.4652	0.044	5	109.4652	0.002	5	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]P[5,6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]P[5,6]C[6])(CH3)(H)2	H(CCHH)	109.4620	0.017	2	109.4620	0.000	2	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]P[6,6]C[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]P[6,6]C[6])(CH3)(H)2	H(CCHH)	109.4804	0.029	10	109.4804	0.001	10	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]P[6,6]P[6])(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]P[6,6]P[6])(CH3)(H)2	H(CCHH)	109.4470	0.026	3	109.4470	0.001	3	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]P[6]2)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]P[6]2)(CH3)(H)2	H(CCHH)	109.4733	0.048	38	109.4733	0.002	38	109.5172	0.660	915	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]B[6a]C[6a])(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]B[6a]C[6a])(CH3)(H)2	H(CCHH)	110.0518	1.414	20	110.0518	2.000	20	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]C[5,6a]2)(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5,6a]2)(CH3)(H)2	H(CCHH)	110.3370	2.102	12	110.3370	4.419	12	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	H(CCHH)	109.4702	0.024	6	109.4702	0.001	6	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	H(CCHH)	109.4830	0.025	3	109.4830	0.001	3	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	H(CCHH)	110.5520	2.355	9	110.5520	5.548	9	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]2)(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]2)(CH3)(H)2	H(CCHH)	109.4796	0.030	8	109.4796	0.001	8	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	H(CCHH)	109.5834	0.641	183	109.5834	0.411	183	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	H(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	H(CCHH)	109.5618	1.224	128	109.5618	1.498	128	109.6445	1.126	369	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-1:H-1:	C-4:	C(CCHO)(H)3	C(OAl2)(CH3)(C)(H)	H(CCHH)	C(CCHO)(H)3	C(OAl2)(CH3)(C)(H)	H(CCHH)	109.4247	0.022	3	109.4247	0.000	3	109.4247	0.000	3	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OAgC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OAgC)(CH3)(H)2	H(CCHH)	109.4627	0.035	11	109.4627	0.001	11	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OAl2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OAl2)(CH3)(H)2	H(CCHH)	109.4824	0.042	7	109.4824	0.002	7	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OAlC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OAlC)(CH3)(H)2	H(CCHH)	109.4736	0.034	48	109.4736	0.001	48	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[6]Tb)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[6]Tb)(CH3)(H)2	H(CCHH)	109.4978	0.094	5	109.4978	0.009	5	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[6a]Ca)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[6a]Ca)(CH3)(H)2	H(CCHH)	109.4474	0.031	5	109.4474	0.001	5	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[6a]Pd)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[6a]Pd)(CH3)(H)2	H(CCHH)	109.4790	0.034	3	109.4790	0.001	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OC[6a]Ru)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OC[6a]Ru)(CH3)(H)2	H(CCHH)	109.4804	0.062	5	109.4804	0.004	5	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OCaC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OCaC)(CH3)(H)2	H(CCHH)	109.4804	0.062	16	109.4804	0.004	16	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OCdH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OCdH)(CH3)(H)2	H(CCHH)	109.4867	0.071	15	109.4867	0.005	15	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OCo2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OCo2)(CH3)(H)2	H(CCHH)	109.4717	0.034	3	109.4717	0.001	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OCoH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OCoH)(CH3)(H)2	H(CCHH)	109.4645	0.030	14	109.4645	0.001	14	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OCrC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OCrC)(CH3)(H)2	H(CCHH)	109.4530	0.042	4	109.4530	0.002	4	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OCuC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OCuC)(CH3)(H)2	H(CCHH)	109.4797	0.035	3	109.4797	0.001	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OCuH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OCuH)(CH3)(H)2	H(CCHH)	109.4791	0.033	23	109.4791	0.001	23	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ODyC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ODyC)(CH3)(H)2	H(CCHH)	109.4636	0.036	5	109.4636	0.001	5	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OEuH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OEuH)(CH3)(H)2	H(CCHH)	109.5430	0.373	3	109.5430	0.139	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OFe2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OFe2)(CH3)(H)2	H(CCHH)	109.4783	0.022	6	109.4783	0.000	6	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OFeC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OFeC)(CH3)(H)2	H(CCHH)	109.4548	0.036	17	109.4548	0.001	17	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OFeH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OFeH)(CH3)(H)2	H(CCHH)	109.8290	1.224	35	109.8290	1.498	35	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OGaC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OGaC)(CH3)(H)2	H(CCHH)	109.4548	0.053	13	109.4548	0.003	13	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OGeC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OGeC)(CH3)(H)2	H(CCHH)	108.3155	1.401	6	108.3155	1.962	6	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OHfC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OHfC)(CH3)(H)2	H(CCHH)	109.5153	0.041	3	109.5153	0.002	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OIn[5,5]H)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OIn[5,5]H)(CH3)(H)2	H(CCHH)	109.4417	0.037	3	109.4417	0.001	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OIn[6]2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OIn[6]2)(CH3)(H)2	H(CCHH)	109.4963	0.044	3	109.4963	0.002	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OIrH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OIrH)(CH3)(H)2	H(CCHH)	109.4637	0.059	3	109.4637	0.003	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OLi2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OLi2)(CH3)(H)2	H(CCHH)	109.4737	0.045	3	109.4737	0.002	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OLiC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OLiC)(CH3)(H)2	H(CCHH)	109.4945	0.640	438	109.4945	0.410	438	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OLiH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OLiH)(CH3)(H)2	H(CCHH)	109.5152	0.027	5	109.5152	0.001	5	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMg2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMg2)(CH3)(H)2	H(CCHH)	109.4884	0.052	8	109.4884	0.003	8	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMgC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMgC)(CH3)(H)2	H(CCHH)	109.6045	2.207	105	109.6045	4.873	105	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMgH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMgH)(CH3)(H)2	H(CCHH)	109.4673	0.031	11	109.4673	0.001	11	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMgSi)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMgSi)(CH3)(H)2	H(CCHH)	109.3997	0.104	6	109.3997	0.011	6	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMn2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMn2)(CH3)(H)2	H(CCHH)	109.4712	0.057	8	109.4712	0.003	8	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMnC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMnC)(CH3)(H)2	H(CCHH)	109.4595	0.039	8	109.4595	0.002	8	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMnH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMnH)(CH3)(H)2	H(CCHH)	109.2607	0.909	71	109.2607	0.827	71	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMnSb)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMnSb)(CH3)(H)2	H(CCHH)	111.4382	7.909	12	111.4382	62.547	12	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMoC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMoC)(CH3)(H)2	H(CCHH)	109.4764	0.033	7	109.4764	0.001	7	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMoH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMoH)(CH3)(H)2	H(CCHH)	109.4677	0.029	18	109.4677	0.001	18	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ONb[5,5]C)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ONb[5,5]C)(CH3)(H)2	H(CCHH)	109.4816	0.057	5	109.4816	0.003	5	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ONiH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ONiH)(CH3)(H)2	H(CCHH)	109.6015	0.561	52	109.6015	0.315	52	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ONiSb)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ONiSb)(CH3)(H)2	H(CCHH)	111.6267	2.758	12	111.6267	7.604	12	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OPdC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OPdC)(CH3)(H)2	H(CCHH)	109.4684	0.022	8	109.4684	0.000	8	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ORh2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ORh2)(CH3)(H)2	H(CCHH)	114.4617	14.262	3	114.4617	203.409	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ORhH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ORhH)(CH3)(H)2	H(CCHH)	109.4830	0.043	12	109.4830	0.002	12	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ORu2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ORu2)(CH3)(H)2	H(CCHH)	111.7300	4.026	3	111.7300	16.208	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OSmH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OSmH)(CH3)(H)2	H(CCHH)	109.4770	0.285	9	109.4770	0.081	9	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OSn2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OSn2)(CH3)(H)2	H(CCHH)	109.4364	0.254	42	109.4364	0.065	42	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OSnH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OSnH)(CH3)(H)2	H(CCHH)	109.4160	0.155	5	109.4160	0.024	5	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OTaC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OTaC)(CH3)(H)2	H(CCHH)	109.4877	0.049	15	109.4877	0.002	15	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OTbH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OTbH)(CH3)(H)2	H(CCHH)	109.4525	0.047	4	109.4525	0.002	4	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OTcH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OTcH)(CH3)(H)2	H(CCHH)	109.4647	0.052	3	109.4647	0.003	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OTi2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OTi2)(CH3)(H)2	H(CCHH)	109.4705	0.016	4	109.4705	0.000	4	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OTiC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OTiC)(CH3)(H)2	H(CCHH)	108.9330	1.173	10	108.9330	1.375	10	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OYbH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OYbH)(CH3)(H)2	H(CCHH)	109.4503	0.063	3	109.4503	0.004	3	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OZn2)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OZn2)(CH3)(H)2	H(CCHH)	109.4728	0.051	24	109.4728	0.003	24	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OZnC)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OZnC)(CH3)(H)2	H(CCHH)	109.4676	0.064	24	109.4676	0.004	24	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OZnH)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OZnH)(CH3)(H)2	H(CCHH)	109.4718	0.045	25	109.4718	0.002	25	109.5417	1.848	1222	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:	C(CO[4]HH)(H)3	C(O[4]H[4]2)(CH3)(H)2	H(CCHH)	C(CO[4]HH)(H)3	C(O[4]H[4]2)(CH3)(H)2	H(CCHH)	109.3877	7.092	3	109.3877	50.303	3	109.3877	50.303	3	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5a]C)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5a]C)(CH3)(H)2	H(CCHH)	109.4805	0.018	4	109.4805	0.000	4	109.4908	0.008	28	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PPdC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PPdC)(CH3)(H)2	H(CCHH)	109.4653	0.041	3	109.4653	0.002	3	109.4908	0.008	28	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PPtC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PPtC)(CH3)(H)2	H(CCHH)	109.5084	0.115	16	109.5084	0.013	16	109.4908	0.008	28	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRhP)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRhP)(CH3)(H)2	H(CCHH)	109.4578	0.028	5	109.4578	0.001	5	109.4908	0.008	28	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(H)3	C(P[5]P[5]2)(CH3)(H)2	H(CCHH)	C(CP[5]HH)(H)3	C(P[5]P[5]2)(CH3)(H)2	H(CCHH)	109.5073	0.213	15	109.5073	0.045	15	109.5073	0.045	15	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SAgC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SAgC)(CH3)(H)2	H(CCHH)	109.4757	0.035	6	109.4757	0.001	6	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SAlC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SAlC)(CH3)(H)2	H(CCHH)	109.4410	0.038	2	109.4410	0.001	2	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[5]Ir)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[5]Ir)(CH3)(H)2	H(CCHH)	109.4723	0.017	3	109.4723	0.000	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[5a]O)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[5a]O)(CH3)(H)2	H(CCHH)	109.4727	0.029	62	109.4727	0.001	62	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6]O)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6]O)(CH3)(H)2	H(CCHH)	109.3812	0.071	5	109.3812	0.005	5	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6a]O)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6a]O)(CH3)(H)2	H(CCHH)	108.7630	1.937	2	108.7630	3.754	2	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6a]Pd)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6a]Pd)(CH3)(H)2	H(CCHH)	109.5048	0.046	10	109.5048	0.002	10	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6a]Ru)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6a]Ru)(CH3)(H)2	H(CCHH)	109.5237	0.022	3	109.5237	0.000	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SCo2)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SCo2)(CH3)(H)2	H(CCHH)	109.5195	0.489	56	109.5195	0.239	56	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SCoC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SCoC)(CH3)(H)2	H(CCHH)	109.4881	0.049	18	109.4881	0.002	18	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SCrC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SCrC)(CH3)(H)2	H(CCHH)	109.4797	0.039	4	109.4797	0.002	4	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SCuC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SCuC)(CH3)(H)2	H(CCHH)	109.7105	1.381	15	109.7105	1.907	15	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SCuIn)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SCuIn)(CH3)(H)2	H(CCHH)	109.4733	0.038	6	109.4733	0.001	6	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SFe2)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SFe2)(CH3)(H)2	H(CCHH)	109.4699	0.047	126	109.4699	0.002	126	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SFeC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SFeC)(CH3)(H)2	H(CCHH)	109.5247	0.050	3	109.5247	0.002	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SGaC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SGaC)(CH3)(H)2	H(CCHH)	109.4643	0.055	3	109.4643	0.003	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SGeC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SGeC)(CH3)(H)2	H(CCHH)	109.4893	0.010	3	109.4893	0.000	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SInC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SInC)(CH3)(H)2	H(CCHH)	109.4303	0.036	3	109.4303	0.001	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SIn[4]C)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SIn[4]C)(CH3)(H)2	H(CCHH)	109.4900	0.006	2	109.4900	0.000	2	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SIrC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SIrC)(CH3)(H)2	H(CCHH)	109.4733	0.032	3	109.4733	0.001	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SMnNi)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SMnNi)(CH3)(H)2	H(CCHH)	109.4714	0.046	12	109.4714	0.002	12	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SMo2)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SMo2)(CH3)(H)2	H(CCHH)	109.4855	0.051	4	109.4855	0.003	4	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SMoC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SMoC)(CH3)(H)2	H(CCHH)	109.4639	0.040	10	109.4639	0.002	10	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SMoW)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SMoW)(CH3)(H)2	H(CCHH)	109.4737	0.114	21	109.4737	0.013	21	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SNbC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SNbC)(CH3)(H)2	H(CCHH)	109.5145	0.009	2	109.5145	0.000	2	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SNi2)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SNi2)(CH3)(H)2	H(CCHH)	109.4726	0.037	7	109.4726	0.001	7	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SNiC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SNiC)(CH3)(H)2	H(CCHH)	109.4410	0.016	2	109.4410	0.000	2	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SPdC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SPdC)(CH3)(H)2	H(CCHH)	109.4679	0.035	14	109.4679	0.001	14	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SPtC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SPtC)(CH3)(H)2	H(CCHH)	109.4647	0.064	43	109.4647	0.004	43	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SReC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SReC)(CH3)(H)2	H(CCHH)	109.2563	0.129	3	109.2563	0.017	3	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SRu2)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SRu2)(CH3)(H)2	H(CCHH)	109.4590	0.040	5	109.4590	0.002	5	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SRuC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SRuC)(CH3)(H)2	H(CCHH)	109.4607	0.039	6	109.4607	0.002	6	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SSbC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SSbC)(CH3)(H)2	H(CCHH)	109.4553	0.042	6	109.4553	0.002	6	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SSnC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SSnC)(CH3)(H)2	H(CCHH)	109.4862	0.022	4	109.4862	0.000	4	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(STaC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(STaC)(CH3)(H)2	H(CCHH)	109.4532	0.019	4	109.4532	0.000	4	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SZnC)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SZnC)(CH3)(H)2	H(CCHH)	109.7519	2.255	9	109.7519	5.084	9	109.4849	0.181	487	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	S[6]-3:C-4:H-1:H-1:	C-4:	C(CS[6]HH)(H)3	C(S[6]N[6]2)(CH3)(H)2	H(CCHH)	C(CS[6]HH)(H)3	C(S[6]N[6]2)(CH3)(H)2	H(CCHH)	109.4838	0.040	5	109.4838	0.002	5	109.4838	0.002	5	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(H)3	C(SeCC)(CH3)(H)2	H(CCHH)	C(CSeHH)(H)3	C(SeCC)(CH3)(H)2	H(CCHH)	109.4790	0.041	3	109.4790	0.002	3	109.4742	0.001	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(H)3	C(SeFe2)(CH3)(H)2	H(CCHH)	C(CSeHH)(H)3	C(SeFe2)(CH3)(H)2	H(CCHH)	109.4647	0.051	3	109.4647	0.003	3	109.4742	0.001	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(H)3	C(SeMo2)(CH3)(H)2	H(CCHH)	C(CSeHH)(H)3	C(SeMo2)(CH3)(H)2	H(CCHH)	109.4687	0.048	3	109.4687	0.002	3	109.4742	0.001	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(H)3	C(SeSeTi)(CH3)(H)2	H(CCHH)	C(CSeHH)(H)3	C(SeSeTi)(CH3)(H)2	H(CCHH)	109.4907	0.013	3	109.4907	0.000	3	109.4742	0.001	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(H)3	C(SeSnC)(CH3)(H)2	H(CCHH)	C(CSeHH)(H)3	C(SeSnC)(CH3)(H)2	H(CCHH)	109.4706	0.025	5	109.4706	0.001	5	109.4742	0.001	17	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[6]C)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[6]C)(CH3)(H)2	H(CCHH)	109.4643	0.038	17	109.4643	0.001	17	109.4653	0.001	22	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiMoC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiMoC)(CH3)(H)2	H(CCHH)	109.4688	0.032	5	109.4688	0.001	5	109.4653	0.001	22	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CC[3]O)(CHHI)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CC[3]O)(CHHI)(H)2	H(CCHI)	109.0260	0.006	2	109.0260	0.000	2	109.0260	0.000	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)2(I)	C(C[5a]C[5a]2)(CHHI)(H)2	H(CCHI)	C(CC[5a]HH)(H)2(I)	C(C[5a]C[5a]2)(CHHI)(H)2	H(CCHI)	110.6870	0.033	2	110.6870	0.001	2	110.6870	0.001	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)2(I)	C(C[6]C[6]2)(CHHI)(H)2	H(CCHI)	C(CC[6]HH)(H)2(I)	C(C[6]C[6]2)(CHHI)(H)2	H(CCHI)	108.7015	0.008	2	108.7015	0.000	2	108.7015	0.000	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)2(I)	C(N[5]C[5]2)(CHHI)(H)2	H(CCHI)	C(CN[5]HH)(H)2(I)	C(N[5]C[5]2)(CHHI)(H)2	H(CCHI)	109.2435	0.009	2	109.2435	0.000	2	109.2435	0.000	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	H(CCHI)	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	H(CCHI)	108.9045	0.042	2	108.9045	0.002	2	109.5318	0.526	4	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a]2)(CHHI)(H)2	H(CCHI)	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a]2)(CHHI)(H)2	H(CCHI)	110.1590	0.045	2	110.1590	0.002	2	109.5318	0.526	4	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:O-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)2(O)	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(H)2(O)	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	109.3485	0.060	2	109.3485	0.004	2	109.3485	0.004	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:O-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(H)2(O)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(H)2(O)	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	109.1653	0.826	12	109.1653	0.682	12	109.1653	0.682	12	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:O-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(H)2(O)	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(H)2(O)	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	109.3460	0.014	2	109.3460	0.000	2	109.3460	0.000	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:Se-1:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(Se)(H)2	C(N[5a]C[5a]2)(CSeHH)(H)2	H(CSeCH)	C(CN[5a]HH)(Se)(H)2	C(N[5a]C[5a]2)(CSeHH)(H)2	H(CSeCH)	109.2105	0.032	2	109.2105	0.001	2	109.2105	0.001	2	109.5433	1.090	17139	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	H(CBrCH)	C(CC[6a]HO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	H(CBrCH)	109.2300	0.017	2	109.2300	0.000	2	109.2300	0.000	2	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6]O)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6]O)(CH3)(OC)(H)	H(CCHH)	109.4767	0.039	3	109.4767	0.002	3	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]C[5])(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]C[5])(CH3)(OH)(H)	H(CCHH)	109.4505	0.032	4	109.4505	0.001	4	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]O)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]O)(CH3)(OC)(H)	H(CCHH)	109.4592	0.035	10	109.4592	0.001	10	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CClN)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CClN)(CH3)(OC)(H)	H(CCHH)	109.4673	0.028	3	109.4673	0.001	3	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[5]O)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5]O)(CH3)(OC)(H)	H(CCHH)	109.4870	0.023	3	109.4870	0.001	3	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[5]O)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5]O)(CH3)(OH)(H)	H(CCHH)	109.4747	0.025	3	109.4747	0.001	3	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CRuC)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CRuC)(CH3)(OH)(H)	H(CCHH)	109.4645	0.024	6	109.4645	0.001	6	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CSnC)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CSnC)(CH3)(OC)(H)	H(CCHH)	109.4523	0.054	3	109.4523	0.003	3	109.4644	0.001	35	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CC[5]O)(CH3)(SC)(H)	H(CCHH)	C(CCHS)(H)3	C(CC[5]O)(CH3)(SC)(H)	H(CCHH)	109.4393	0.031	3	109.4393	0.001	3	109.4585	0.002	8	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CC[6a]O)(CH3)(SC)(H)	H(CCHH)	C(CCHS)(H)3	C(CC[6a]O)(CH3)(SC)(H)	H(CCHH)	109.4950	0.027	2	109.4950	0.001	2	109.4585	0.002	8	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CN[5]O)(CH3)(SC)(H)	H(CCHH)	C(CCHS)(H)3	C(CN[5]O)(CH3)(SC)(H)	H(CCHH)	109.4533	0.049	3	109.4533	0.002	3	109.4585	0.002	8	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:Se-2:H-1:	C-4:	C(CSeCH)(H)3	C(CC[6a]O)(CH3)(SeC)(H)	H(CCHH)	C(CSeCH)(H)3	C(CC[6a]O)(CH3)(SeC)(H)	H(CCHH)	109.4746	0.031	5	109.4746	0.001	5	109.4746	0.001	5	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	H(CCHH)	109.4327	0.027	3	109.4327	0.001	3	109.4545	0.001	8	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4]2)(CH3)(OH)(H)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4]2)(CH3)(OH)(H)	H(CCHH)	109.4493	0.018	3	109.4493	0.000	3	109.4545	0.001	8	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4]2)(CH3)(OP)(H)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4]2)(CH3)(OP)(H)	H(CCHH)	109.4950	0.033	2	109.4950	0.001	2	109.4545	0.001	8	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]2)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]2)(CH3)(OH)(H)	H(CCHH)	109.4717	0.010	3	109.4717	0.000	3	109.4615	0.007	11	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]P[5])(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]P[5])(CH3)(OH)(H)	H(CCHH)	109.4495	0.036	2	109.4495	0.001	2	109.4615	0.007	11	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]N[5]2)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]N[5]2)(CH3)(OH)(H)	H(CCHH)	109.4605	0.118	6	109.4605	0.014	6	109.4615	0.007	11	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	H(CCHH)	C(CC[5a]HO)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)(OC)(H)	H(CCHH)	109.5563	0.061	3	109.5563	0.004	3	109.4865	0.003	32	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(H)3	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	H(CCHH)	C(CC[5a]HO)(H)3	C(C[5a]C[5a]N[5a])(CH3)(OH)(H)	H(CCHH)	109.4745	0.021	2	109.4745	0.000	2	109.4865	0.003	32	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(H)3	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	H(CCHH)	C(CC[5a]HO)(H)3	C(C[5a]C[5a]O[5a])(CH3)(OH)(H)	H(CCHH)	109.5113	0.038	6	109.5113	0.001	6	109.4865	0.003	32	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(H)3	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	H(CCHH)	C(CC[5a]HO)(H)3	C(C[5a]C[5a]S[5a])(CH3)(OC)(H)	H(CCHH)	109.5330	0.000	1	109.5330	0.000	1	109.4865	0.003	32	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(H)3	C(C[5a]N[5a]2)(CH3)(OC)(H)	H(CCHH)	C(CC[5a]HO)(H)3	C(C[5a]N[5a]2)(CH3)(OC)(H)	H(CCHH)	109.4483	0.016	3	109.4483	0.000	3	109.4865	0.003	32	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(H)3	C(C[5a]N[5a]2)(CH3)(OH)(H)	H(CCHH)	C(CC[5a]HO)(H)3	C(C[5a]N[5a]2)(CH3)(OH)(H)	H(CCHH)	109.4708	0.048	17	109.4708	0.002	17	109.4865	0.003	32	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:O-2:H-1:	C-4:	C(CC[6,6]HO)(H)3	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	H(CCHH)	C(CC[6,6]HO)(H)3	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	H(CCHH)	109.4723	0.024	3	109.4723	0.001	3	109.4723	0.001	3	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2)(CH3)(OC)(H)	H(CCHH)	109.4363	0.025	3	109.4363	0.001	3	109.4629	0.001	19	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2)(CH3)(OH)(H)	H(CCHH)	109.4682	0.020	4	109.4682	0.000	4	109.4629	0.001	19	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(CH3)(OC)(H)	H(CCHH)	109.4647	0.044	7	109.4647	0.002	7	109.4629	0.001	19	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(CH3)(ON)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(CH3)(ON)(H)	H(CCHH)	109.4722	0.042	5	109.4722	0.002	5	109.4629	0.001	19	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	H(CCHH)	109.4830	0.025	3	109.4830	0.001	3	109.4808	0.046	6	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CN)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CN)(H)	H(CCHH)	109.4787	0.337	3	109.4787	0.114	3	109.4808	0.046	6	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	H(CCHH)	109.4609	0.034	34	109.4609	0.001	34	109.5772	0.452	203	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	H(CCHH)	109.4952	0.031	4	109.4952	0.001	4	109.5772	0.452	203	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NC)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NC)(H)	H(CCHH)	109.6180	0.781	149	109.6180	0.610	149	109.5772	0.452	203	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NN)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NN)(H)	H(CCHH)	109.4850	0.041	2	109.4850	0.002	2	109.5772	0.452	203	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NP)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NP)(H)	H(CCHH)	109.4562	0.031	8	109.4562	0.001	8	109.5772	0.452	203	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NPd)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NPd)(H)	H(CCHH)	109.5150	0.014	3	109.5150	0.000	3	109.5772	0.452	203	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NRu)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NRu)(H)	H(CCHH)	109.4193	0.036	3	109.4193	0.001	3	109.5772	0.452	203	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(OC)(H)	H(CCHH)	109.4493	0.047	9	109.4493	0.002	9	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)(H)	H(CCHH)	109.4688	0.023	9	109.4688	0.001	9	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	H(CCHH)	109.4757	0.017	3	109.4757	0.000	3	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OC)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OC)(H)	H(CCHH)	109.6602	1.180	58	109.6602	1.391	58	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OFe)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OFe)(H)	H(CCHH)	109.5390	0.007	2	109.5390	0.000	2	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OH)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OH)(H)	H(CCHH)	109.4493	0.688	116	109.4493	0.473	116	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(ON)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(ON)(H)	H(CCHH)	109.4708	0.354	17	109.4708	0.125	17	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OP)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]2)(CH3)(OP)(H)	H(CCHH)	109.4720	0.028	3	109.4720	0.001	3	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	H(CCHH)	109.4805	0.045	2	109.4805	0.002	2	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	H(CCHH)	109.4567	0.063	4	109.4567	0.004	4	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]N[6a]2)(CH3)(OH)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]N[6a]2)(CH3)(OH)(H)	H(CCHH)	109.4627	0.061	6	109.4627	0.004	6	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)3	C(C[6a]N[6a]2)(CH3)(OSi)(H)	H(CCHH)	C(CC[6a]HO)(H)3	C(C[6a]N[6a]2)(CH3)(OSi)(H)	H(CCHH)	109.4810	0.072	3	109.4810	0.005	3	109.5069	0.596	232	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(CH3)(SC)(H)	H(CCHH)	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(CH3)(SC)(H)	H(CCHH)	109.4547	0.034	15	109.4547	0.001	15	109.4589	0.002	24	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(CH3)(SRu)(H)	H(CCHH)	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(CH3)(SRu)(H)	H(CCHH)	109.4658	0.052	9	109.4658	0.003	9	109.4589	0.002	24	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:Se-2:H-1:	C-4:	C(CC[6a]SeH)(H)3	C(C[6a]C[6a]2)(CH3)(SeC)(H)	H(CCHH)	C(CC[6a]SeH)(H)3	C(C[6a]C[6a]2)(CH3)(SeC)(H)	H(CCHH)	109.4790	0.030	15	109.4790	0.001	15	109.4790	0.001	15	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-2:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CN)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CN)(H)	H(CCHH)	109.4963	0.038	3	109.4963	0.001	3	109.4963	0.001	3	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:O-2:H-1:	C-4:	C(CN[5a]HO)(H)3	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	H(CCHH)	C(CN[5a]HO)(H)3	C(N[5a]C[5a]N[5a])(CH3)(OC)(H)	H(CCHH)	109.4637	0.022	3	109.4637	0.000	3	109.6732	0.759	17	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:O-2:H-1:	C-4:	C(CN[5a]HO)(H)3	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	H(CCHH)	C(CN[5a]HO)(H)3	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	H(CCHH)	109.4725	0.013	2	109.4725	0.000	2	109.6732	0.759	17	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:O-2:H-1:	C-4:	C(CN[5a]HO)(H)3	C(N[5a]N[5a]2)(CH3)(OC)(H)	H(CCHH)	C(CN[5a]HO)(H)3	C(N[5a]N[5a]2)(CH3)(OC)(H)	H(CCHH)	109.7591	1.037	12	109.7591	1.076	12	109.6732	0.759	17	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:S-2:H-1:	C-4:	C(CN[5a]HS)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	H(CCHH)	C(CN[5a]HS)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)(SS)(H)	H(CCHH)	109.4580	0.007	2	109.4580	0.000	2	109.4580	0.000	2	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C-4:C-2:H-1:	C-4:	C(CN[6,6]CH)(H)3	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	H(CCHH)	C(CN[6,6]CH)(H)3	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	H(CCHH)	109.4747	0.010	3	109.4747	0.000	3	109.4747	0.000	3	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)2(I)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	H(CCHI)	C(CC[6a]HO)(H)2(I)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	H(CCHI)	108.7885	0.092	4	108.7885	0.008	4	108.7885	0.008	4	109.5182	0.389	632	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:	C(CC[6a]OO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(OC)2	H(CBrCH)	C(CC[6a]OO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(OC)2	H(CBrCH)	109.2415	0.030	2	109.2415	0.001	2	109.2415	0.001	2	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-2:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]C)(CH3)(CN)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]C)(CH3)(CN)2	H(CCHH)	108.5063	1.200	3	108.5063	1.440	3	108.5063	1.440	3	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-2:O-2:	C-4:	C(CCCO)(H)3	C(CN[5]O)(CH3)(CC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CN[5]O)(CH3)(CC)(OH)	H(CCHH)	108.3455	2.145	6	108.3455	4.603	6	108.3455	4.603	6	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-2:O-2:	C-4:	C(CC[6]OO)(H)3	C(C[6]C[6]N[6])(CH3)(OC)2	H(CCHH)	C(CC[6]OO)(H)3	C(C[6]C[6]N[6])(CH3)(OC)2	H(CCHH)	109.4662	0.024	6	109.4662	0.001	6	109.4662	0.001	6	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CC)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CC)(OC)	H(CCHH)	109.4687	0.019	3	109.4687	0.000	3	109.4766	0.542	12	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CC)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CC)(OH)	H(CCHH)	109.4893	1.092	6	109.4893	1.192	6	109.4766	0.542	12	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	H(CCHH)	109.4590	0.020	3	109.4590	0.000	3	109.4766	0.542	12	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:2:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:	C(CC[6a]OO)(H)3	C(C[6a]C[6a]2)(CH3)(OH)(OO)	H(CCHH)	C(CC[6a]OO)(H)3	C(C[6a]C[6a]2)(CH3)(OH)(OO)	H(CCHH)	109.4667	0.046	3	109.4667	0.002	3	109.4667	0.002	3	109.1560	1.264	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	H(CBrCH)	C(CC[6a]HN)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(NHS)(H)	H(CBrCH)	109.4034	0.196	5	109.4034	0.039	5	109.4034	0.039	5	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	H(CClCH)	C(CC[6a]HN)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(NCH)(H)	H(CClCH)	109.1740	0.023	2	109.1740	0.001	2	109.2817	0.035	3	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(NPdC)(H)	H(CClCH)	C(CC[6a]HN)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(NPdC)(H)	H(CClCH)	109.4970	0.000	1	109.4970	0.000	1	109.2817	0.035	3	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:F-1:F-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(F)2(H)	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	H(CCFF)	C(CC[6a]HN)(F)2(H)	C(C[6a]C[6a]2)(CFFH)(NSS)(H)	H(CCFF)	111.3540	0.000	1	111.3540	0.000	1	111.3540	0.000	1	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:F-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(F)(H)2	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	H(CCFH)	C(CC[6a]HN)(F)(H)2	C(C[6a]C[6a]2)(CFHH)(NCH)(H)	H(CCFH)	109.6170	0.000	1	109.6170	0.000	1	109.6170	0.000	1	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]H)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]H)(CH3)(CCO)(H)	H(CCHH)	109.4659	0.037	12	109.4659	0.001	12	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]H)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]H)(CH3)(COO)(H)	H(CCHH)	110.4180	0.178	6	110.4180	0.032	6	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]O)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]O)(CH3)(CCH)(H)	H(CCHH)	109.4821	0.043	31	109.4821	0.002	31	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]O)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]O)(CH3)(COO)(H)	H(CCHH)	110.0530	1.022	3	110.0530	1.045	3	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CH3)(CCH)(H)	H(CCHH)	109.4696	0.022	7	109.4696	0.000	7	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CH3)(COO)(H)	H(CCHH)	109.4610	0.025	3	109.4610	0.001	3	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CH3)(CCH)(H)	H(CCHH)	109.4865	0.022	2	109.4865	0.000	2	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CH3)(CCN)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CH3)(CCN)(H)	H(CCHH)	109.4612	0.026	6	109.4612	0.001	6	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CH3)(CCO)(H)	H(CCHH)	109.4455	0.009	2	109.4455	0.000	2	109.5764	0.112	72	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[5]H)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[5]H)(CH3)(NCH)(H)	H(CCHH)	111.2003	4.032	3	111.2003	16.261	3	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[5]O)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[5]O)(CH3)(NCH)(H)	H(CCHH)	109.5002	0.040	6	109.5002	0.002	6	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]C)(CH3)(NSS)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]C)(CH3)(NSS)(H)	H(CCHH)	109.4753	0.039	3	109.4753	0.002	3	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]O)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]O)(CH3)(NCH)(H)	H(CCHH)	109.4594	0.042	7	109.4594	0.002	7	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CN[4]O)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[4]O)(CH3)(NCH)(H)	H(CCHH)	109.4765	0.009	2	109.4765	0.000	2	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CN[5]O)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5]O)(CH3)(NCH)(H)	H(CCHH)	109.5862	0.449	83	109.5862	0.202	83	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CN[5]O)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5]O)(CH3)(NHS)(H)	H(CCHH)	109.4667	0.044	3	109.4667	0.002	3	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CN[5a]S)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5a]S)(CH3)(NCH)(H)	H(CCHH)	109.4653	0.031	3	109.4653	0.001	3	109.6059	0.524	110	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CH3)(CCH)(H)	H(CCHH)	111.9520	2.658	3	111.9520	7.064	3	110.7090	4.681	6	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CH3)(CCH)(H)	H(CCHH)	109.4660	0.054	3	109.4660	0.003	3	110.7090	4.681	6	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)(H)	H(CCHH)	109.4943	0.044	6	109.4943	0.002	6	109.4677	0.002	15	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CH3)(COO)(H)	H(CCHH)	109.4499	0.041	9	109.4499	0.002	9	109.4677	0.002	15	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(H)3	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	H(CCHH)	C(CC[5a]HN)(H)3	C(C[5a]C[5a]N[5a])(CH3)(NCH)(H)	H(CCHH)	109.4780	0.050	5	109.4780	0.002	5	109.4746	0.001	33	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(H)3	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	H(CCHH)	C(CC[5a]HN)(H)3	C(C[5a]C[5a]S[5a])(CH3)(NCO)(H)	H(CCHH)	109.4734	0.022	5	109.4734	0.000	5	109.4746	0.001	33	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(H)3	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	H(CCHH)	C(CC[5a]HN)(H)3	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	H(CCHH)	109.4467	0.016	3	109.4467	0.000	3	109.4746	0.001	33	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(H)3	C(C[5a]N[5a]2)(CH3)(NCH)(H)	H(CCHH)	C(CC[5a]HN)(H)3	C(C[5a]N[5a]2)(CH3)(NCH)(H)	H(CCHH)	109.4856	0.051	10	109.4856	0.003	10	109.4746	0.001	33	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(H)3	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	H(CCHH)	C(CC[5a]HN)(H)3	C(C[5a]N[5a]O[5a])(CH3)(NHS)(H)	H(CCHH)	109.4763	0.032	6	109.4763	0.001	6	109.4746	0.001	33	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(H)3	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	H(CCHH)	C(CC[5a]HN)(H)3	C(C[5a]N[5a]S[5a])(CH3)(NCH)(H)	H(CCHH)	109.4630	0.019	4	109.4630	0.000	4	109.4746	0.001	33	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)(CHH)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)(CHH)(H)	H(CCHH)	109.3332	7.119	5	109.3332	50.677	5	109.3852	25.343	9	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)(CNO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)(CNO)(H)	H(CCHH)	109.4502	0.039	4	109.4502	0.002	4	109.3852	25.343	9	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2)(CH3)(NCH)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2)(CH3)(NCH)(H)	H(CCHH)	111.5247	3.066	6	111.5247	9.400	6	111.0180	7.594	8	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2)(CH3)(NHS)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2)(CH3)(NHS)(H)	H(CCHH)	109.4980	0.030	2	109.4980	0.001	2	111.0180	7.594	8	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CH3)(COO)(F)	H(CCHH)	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CH3)(COO)(F)	H(CCHH)	109.4627	0.023	3	109.4627	0.001	3	109.4627	0.001	3	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]N[6a])(CH3)(COO)(H)	H(CCHH)	109.4808	0.008	4	109.4808	0.000	4	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CCC)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CCC)(H)	H(CCHH)	109.4702	0.039	6	109.4702	0.002	6	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CCH)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CCH)(H)	H(CCHH)	109.7839	0.628	15	109.7839	0.394	15	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CCN)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CCN)(H)	H(CCHH)	109.4593	0.052	3	109.4593	0.003	3	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CHH)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CHH)(H)	H(CCHH)	108.6253	4.588	48	108.6253	21.051	48	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CNO)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(CNO)(H)	H(CCHH)	109.4419	0.693	121	109.4419	0.480	121	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(COO)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(COO)(H)	H(CCHH)	109.6295	1.447	289	109.6295	2.095	289	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	H(CCHH)	109.4780	0.025	4	109.4780	0.001	4	109.4841	3.474	490	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NCC)(H)	H(CCHH)	109.4479	0.476	51	109.4479	0.226	51	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NCH)(H)	H(CCHH)	109.5281	0.463	67	109.5281	0.214	67	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NHH)(H)	H(CCHH)	109.4883	0.017	3	109.4883	0.000	3	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	H(CCHH)	108.4010	4.951	3	108.4010	24.512	3	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCC)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCC)(H)	H(CCHH)	109.5862	1.694	225	109.5862	2.870	225	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCH)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCH)(H)	H(CCHH)	109.5467	0.613	641	109.5467	0.376	641	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCO)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCO)(H)	H(CCHH)	109.4817	0.050	22	109.4817	0.003	22	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCP)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCP)(H)	H(CCHH)	109.4759	0.160	68	109.4759	0.026	68	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCS)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCS)(H)	H(CCHH)	109.5050	0.000	1	109.5050	0.000	1	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCY)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NCY)(H)	H(CCHH)	109.4793	0.060	28	109.4793	0.004	28	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NHH)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NHH)(H)	H(CCHH)	109.4868	0.026	10	109.4868	0.001	10	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NHP)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NHP)(H)	H(CCHH)	109.5439	0.375	74	109.5439	0.141	74	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NHS)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NHS)(H)	H(CCHH)	110.1824	2.016	25	110.1824	4.065	25	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NPP)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NPP)(H)	H(CCHH)	109.4478	0.038	14	109.4478	0.001	14	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NSS)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NSS)(H)	H(CCHH)	109.4215	0.033	2	109.4215	0.001	2	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]N[6a])(CH3)(NHN)(H)	H(CCHH)	109.4860	0.029	3	109.4860	0.001	3	109.5500	0.877	1237	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[5]H)(CH3)(CHH)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5]H)(CH3)(CHH)(H)	H(CCHH)	109.6243	1.666	3	109.6243	2.775	3	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[5]H)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5]H)(CH3)(COO)(H)	H(CCHH)	109.4833	0.028	3	109.4833	0.001	3	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]C)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]C)(CH3)(COO)(H)	H(CCHH)	109.4998	0.046	5	109.4998	0.002	5	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]H)(CH3)(CCH)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]H)(CH3)(CCH)(H)	H(CCHH)	109.4432	0.025	5	109.4432	0.001	5	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]H)(CH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]H)(CH3)(CNO)(H)	H(CCHH)	109.4715	0.033	6	109.4715	0.001	6	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCrH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCrH)(CH3)(COO)(H)	H(CCHH)	109.4792	0.013	5	109.4792	0.000	5	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCuC)(CH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCuC)(CH3)(CNO)(H)	H(CCHH)	109.4664	0.042	7	109.4664	0.002	7	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NNiC)(CH3)(CCN)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiC)(CH3)(CCN)(H)	H(CCHH)	109.4647	0.022	4	109.4647	0.000	4	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NNiC)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiC)(CH3)(COO)(H)	H(CCHH)	109.4660	0.038	8	109.4660	0.001	8	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NP[4]C)(CH3)(CHH)(H)	H(CCHH)	C(CCHN)(H)3	C(NP[4]C)(CH3)(CHH)(H)	H(CCHH)	115.7150	1.036	3	115.7150	1.073	3	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NRuH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NRuH)(CH3)(COO)(H)	H(CCHH)	109.3943	4.013	6	109.3943	16.101	6	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NSnC)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NSnC)(CH3)(COO)(H)	H(CCHH)	109.4867	0.033	3	109.4867	0.001	3	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NTcC)(CH3)(CCN)(H)	H(CCHH)	C(CCHN)(H)3	C(NTcC)(CH3)(CCN)(H)	H(CCHH)	114.5483	3.383	3	114.5483	11.442	3	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NTcC)(CH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(NTcC)(CH3)(CNO)(H)	H(CCHH)	110.5437	1.333	3	110.5437	1.778	3	110.0525	4.618	64	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5])(CH3)(COO)(H)	H(CCHH)	109.4857	0.020	4	109.4857	0.000	4	108.5569	33.933	31	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CCH)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CCH)(H)	H(CCHH)	109.4825	0.063	2	109.4825	0.004	2	108.5569	33.933	31	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CHH)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CHH)(H)	H(CCHH)	104.7235	13.481	6	104.7235	181.728	6	108.5569	33.933	31	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CNO)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(CNO)(H)	H(CCHH)	109.4664	0.040	8	109.4664	0.002	8	108.5569	33.933	31	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(COO)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)(COO)(H)	H(CCHH)	109.4803	0.022	11	109.4803	0.000	11	108.5569	33.933	31	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]B[5a]C[5a])(CH3)(COO)(H)	H(CCHH)	109.4023	0.066	3	109.4023	0.004	3	109.4605	0.003	15	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	H(CCHH)	109.4750	0.040	12	109.4750	0.002	12	109.4605	0.003	15	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C-4:C-3:H-1:	C-4:	C(CN[6,6]CH)(H)3	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	H(CCHH)	C(CN[6,6]CH)(H)3	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	H(CCHH)	109.4580	0.015	3	109.4580	0.000	3	109.4580	0.000	3	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CH3)(CNO)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CH3)(CNO)(H)	H(CCHH)	109.5230	0.017	3	109.5230	0.000	3	109.4903	0.001	9	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CH3)(COO)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CH3)(COO)(H)	H(CCHH)	109.4740	0.022	6	109.4740	0.000	6	109.4903	0.001	9	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-3:H-1:	C-4:	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)(COO)(H)	H(CCHH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)(COO)(H)	H(CCHH)	109.4810	0.041	5	109.4810	0.002	5	109.4810	0.002	5	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OCoH)(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(OCoH)(CH3)(COO)(H)	H(CCHH)	109.4762	0.031	6	109.4762	0.001	6	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OCuH)(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(OCuH)(CH3)(COO)(H)	H(CCHH)	109.4683	0.025	3	109.4683	0.001	3	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OMgH)(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(OMgH)(CH3)(COO)(H)	H(CCHH)	109.4543	0.046	3	109.4543	0.002	3	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OMnH)(CH3)(CNO)(H)	H(CCHH)	C(CCHO)(H)3	C(OMnH)(CH3)(CNO)(H)	H(CCHH)	109.4762	0.029	5	109.4762	0.001	5	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OMnH)(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(OMnH)(CH3)(COO)(H)	H(CCHH)	109.4360	0.041	3	109.4360	0.002	3	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(ONiH)(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(ONiH)(CH3)(COO)(H)	H(CCHH)	109.5039	0.090	9	109.5039	0.008	9	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OZn2)(CH3)(CCN)(H)	H(CCHH)	C(CCHO)(H)3	C(OZn2)(CH3)(CCN)(H)	H(CCHH)	109.4707	0.050	3	109.4707	0.003	3	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OZnH)(CH3)(CNO)(H)	H(CCHH)	C(CCHO)(H)3	C(OZnH)(CH3)(CNO)(H)	H(CCHH)	109.4753	0.051	3	109.4753	0.003	3	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:H-1:	C-4:	C(CCHO)(H)3	C(OZnH)(CH3)(COO)(H)	H(CCHH)	C(CCHO)(H)3	C(OZnH)(CH3)(COO)(H)	H(CCHH)	109.4975	0.066	2	109.4975	0.004	2	109.4779	0.003	37	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O[4]-3:C-4:C-3:H-1:	C-4:	C(CO[4]CH)(H)3	C(O[4]Ga[4]2)(CH3)(COO)(H)	H(CCHH)	C(CO[4]CH)(H)3	C(O[4]Ga[4]2)(CH3)(COO)(H)	H(CCHH)	109.4663	0.019	4	109.4663	0.000	4	109.4591	0.000	8	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	O[4]-3:C-4:C-3:H-1:	C-4:	C(CO[4]CH)(H)3	C(O[4]In[4]2)(CH3)(COO)(H)	H(CCHH)	C(CO[4]CH)(H)3	C(O[4]In[4]2)(CH3)(COO)(H)	H(CCHH)	109.4520	0.023	4	109.4520	0.001	4	109.4591	0.000	8	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]C)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]C)(CH3)(CHH)(H)	H(CCHH)	110.9723	2.203	3	110.9723	4.852	3	110.9723	4.852	3	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-3:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]O)(CH3)(CNO)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]O)(CH3)(CNO)(H)	H(CCHH)	109.4930	0.045	3	109.4930	0.002	3	109.4930	0.002	3	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:N-3:H-1:	C-4:	C(CHNS)(H)3	C(SFe2)(CH3)(NCH)(H)	H(CCHH)	C(CHNS)(H)3	C(SFe2)(CH3)(NCH)(H)	H(CCHH)	109.4573	0.043	4	109.4573	0.002	4	109.4573	0.002	4	109.5447	2.084	2175	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]O)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6]O)(CH3)(COO)(OH)	H(CCHH)	109.4677	0.030	4	109.4677	0.001	4	109.4724	0.001	7	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]O)(CH3)(COS)(ON)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]O)(CH3)(COS)(ON)	H(CCHH)	109.4787	0.017	3	109.4787	0.000	3	109.4724	0.001	7	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-3:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]N[6]2)(CH3)(CNS)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]N[6]2)(CH3)(CNS)(OH)	H(CCHH)	110.5560	2.366	3	110.5560	5.596	3	110.5560	5.596	3	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:C-2:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	H(CCHH)	109.3276	0.587	14	109.3276	0.345	14	109.3276	0.345	14	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	H(CCHH)	109.8870	0.871	3	109.8870	0.758	3	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(COO)(OC)	H(CCHH)	110.2863	1.511	14	110.2863	2.283	14	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CCH)(OH)	H(CCHH)	109.4782	0.015	5	109.4782	0.000	5	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CCO)(OH)	H(CCHH)	109.4890	0.018	2	109.4890	0.000	2	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CHO)(OC)	H(CCHH)	109.4680	0.008	2	109.4680	0.000	2	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	H(CCHH)	109.4903	0.038	3	109.4903	0.001	3	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	H(CCHH)	109.4947	0.028	4	109.4947	0.001	4	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	H(CCHH)	109.4545	0.018	2	109.4545	0.000	2	109.8381	1.068	35	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:2:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-3:O-2:	C-4:	C(CN[5a]CO)(H)3	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	H(CCHH)	C(CN[5a]CO)(H)3	C(N[5a]C[5a,6a]2)(CH3)(COO)(OC)	H(CCHH)	109.4655	0.026	6	109.4655	0.001	6	109.4655	0.001	6	109.6875	0.898	65	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]O)(CH3)(CCO)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]O)(CH3)(CCO)2	H(CCHH)	109.4713	0.045	3	109.4713	0.002	3	109.4713	0.002	3	110.5361	9.654	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-3:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CH3)(COO)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CH3)(COO)2	H(CCHH)	109.4635	0.031	6	109.4635	0.001	6	109.4635	0.001	6	110.5361	9.654	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(CCO)(COO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(CCO)(COO)	H(CCHH)	109.4783	0.029	7	109.4783	0.001	7	112.0151	20.502	10	110.5361	9.654	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(CHH)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(CHH)2	H(CCHH)	117.9343	4.144	3	117.9343	17.175	3	112.0151	20.502	10	110.5361	9.654	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)(CHO)(NCN)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)(CHO)(NCN)	H(CCHH)	109.4730	0.007	2	109.4730	0.000	2	109.4730	0.000	2	110.5361	9.654	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:3:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-3:C-3:	C-4:	C(CCCO)(H)3	C(OZn2)(CH3)(CCH)(CCN)	H(CCHH)	C(CCCO)(H)3	C(OZn2)(CH3)(CCH)(CCN)	H(CCHH)	109.5250	0.019	3	109.5250	0.000	3	109.5250	0.000	3	110.5361	9.654	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-3:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	H(CCHH)	109.4695	0.008	2	109.4695	0.000	2	109.4695	0.000	2	109.4708	0.035	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-3:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	H(CCHH)	109.4747	0.055	6	109.4747	0.003	6	109.4600	0.003	9	109.4708	0.035	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:O-3:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	H(CCHH)	109.4307	0.045	3	109.4307	0.002	3	109.4600	0.003	9	109.4708	0.035	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	H(CCHH)	109.4553	0.017	3	109.4553	0.000	3	109.4553	0.000	3	109.4708	0.035	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	H(CCHH)	109.4657	0.053	3	109.4657	0.003	3	109.4657	0.003	3	109.4708	0.035	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-3:C-4:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(ONi2)(CH3)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(ONi2)(CH3)	H(CCHH)	109.4950	0.018	2	109.4950	0.000	2	109.4950	0.000	2	109.4708	0.035	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:3:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-3:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	H(CCHH)	109.5087	0.592	3	109.5087	0.351	3	109.5087	0.351	3	109.4708	0.035	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:Br-1:H-1:H-1:	C[5]-3:C-4:C-4:Br-1:	C-4:	C(CC[5]BrC)(Br)(H)2	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	H(CBrCH)	C(CC[5]BrC)(Br)(H)2	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	H(CBrCH)	108.3780	0.049	2	108.3780	0.002	2	108.3780	0.002	2	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:Br-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(Br)(H)2	C(NC[6a]S)(CBrCH)(CBrHH)(H)	H(CBrCH)	C(CCHN)(Br)(H)2	C(NC[6a]S)(CBrCH)(CBrHH)(H)	H(CBrCH)	109.2125	0.039	2	109.2125	0.002	2	109.2125	0.002	2	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:Cl-1:Cl-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(Cl)2(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	H(CCl2C)	C(CC[6a]CH)(Cl)2(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	H(CCl2C)	107.9385	0.362	4	107.9385	0.131	4	107.9385	0.131	4	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:Cl-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(Cl)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	H(CClCH)	C(CN[5a]CH)(Cl)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	H(CClCH)	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:Cl-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(Cl)(H)2	C(N[6]C[6]2)(CClHH)(CCCH)(H)	H(CClCH)	C(CN[6]CH)(Cl)(H)2	C(N[6]C[6]2)(CClHH)(CCCH)(H)	H(CClCH)	109.2255	0.213	2	109.2255	0.045	2	109.2255	0.045	2	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:H-1:	C-4:	C(CBCH)(H)3	C(BC[5]C)(CH3)2(H)	H(CCHH)	C(CBCH)(H)3	C(BC[5]C)(CH3)2(H)	H(CCHH)	109.4859	0.023	7	109.4859	0.001	7	109.4859	0.001	7	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:Br-1:	C-4:	C(CBrCC)(H)3	C(CC[6a]O)(CH3)2(Br)	H(CCHH)	C(CBrCC)(H)3	C(CC[6a]O)(CH3)2(Br)	H(CCHH)	109.4702	0.018	5	109.4702	0.000	5	109.4702	0.000	5	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CAlH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CAlH)(CH3)2(H)	H(CCHH)	109.4430	0.069	4	109.4430	0.005	4	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3,6]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3,6]O)(CCHH)(CH3)(H)	H(CCHH)	109.4935	0.040	2	109.4935	0.002	2	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]O)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]O)(CCHO)(CH3)(H)	H(CCHH)	109.4463	0.011	3	109.4463	0.000	3	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5,5]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5,5]O)(CCHH)(CH3)(H)	H(CCHH)	109.4845	0.026	4	109.4845	0.001	4	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	H(CCHH)	109.4647	0.021	3	109.4647	0.000	3	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	H(CCHH)	109.4339	0.054	16	109.4339	0.003	16	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5,6]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5,6]O)(CH3)2(H)	H(CCHH)	109.5670	0.336	6	109.5670	0.113	6	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]C)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]C)(CH3)2(H)	H(CCHH)	109.8551	1.517	9	109.8551	2.301	9	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]H)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]H)(CH3)2(H)	H(CCHH)	109.4704	0.037	37	109.4704	0.001	37	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]O)(CCHH)(CH3)(H)	H(CCHH)	109.4603	0.038	12	109.4603	0.001	12	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]O)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]O)(CCHO)(CH3)(H)	H(CCHH)	109.4650	0.018	2	109.4650	0.000	2	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]O)(CH3)2(H)	H(CCHH)	109.4836	0.038	25	109.4836	0.001	25	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]2)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]2)(CH3)2(H)	H(CCHH)	109.4569	0.059	25	109.4569	0.003	25	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]C[5])(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]C[5])(CH3)2(H)	H(CCHH)	110.9517	2.103	18	110.9517	4.422	18	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]H)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]H)(CH3)2(H)	H(CCHH)	109.4587	0.051	6	109.4587	0.003	6	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]O)(CH3)2(H)	H(CCHH)	109.4662	0.033	27	109.4662	0.001	27	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6,6]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6,6]O)(CCHH)(CH3)(H)	H(CCHH)	109.4738	0.017	9	109.4738	0.000	9	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6,6]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6,6]O)(CH3)2(H)	H(CCHH)	109.4558	0.034	13	109.4558	0.001	13	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]H)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]H)(CH3)2(H)	H(CCHH)	109.4812	0.022	13	109.4812	0.001	13	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]N)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]N)(CCCH)(CH3)(H)	H(CCHH)	110.8737	4.132	6	110.8737	17.069	6	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]N)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]N)(CH3)2(H)	H(CCHH)	109.4405	0.030	4	109.4405	0.001	4	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]O)(CCHH)(CH3)(H)	H(CCHH)	109.4763	0.042	16	109.4763	0.002	16	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]O)(CH3)2(H)	H(CCHH)	109.4694	0.029	39	109.4694	0.001	39	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]O)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]O)(CHHO)(CH3)(H)	H(CCHH)	109.4745	0.028	2	109.4745	0.001	2	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]C)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]C)(CH3)2(H)	H(CCHH)	109.4903	0.026	7	109.4903	0.001	7	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]Fe)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]Fe)(CH3)2(H)	H(CCHH)	109.4734	0.043	5	109.4734	0.002	5	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]N)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]N)(CH3)2(H)	H(CCHH)	109.4773	0.046	27	109.4773	0.002	27	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CCCH)(CH3)(H)	H(CCHH)	109.4741	0.034	8	109.4741	0.001	8	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCHH)	109.4669	0.048	34	109.4669	0.002	34	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CCHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CCHN)(CH3)(H)	H(CCHH)	109.4385	0.033	2	109.4385	0.001	2	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CCHO)(CH3)(H)	H(CCHH)	109.4640	0.014	2	109.4640	0.000	2	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CH3)2(H)	H(CCHH)	109.4716	0.031	65	109.4716	0.001	65	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]O)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]O)(CHHO)(CH3)(H)	H(CCHH)	109.4973	0.021	3	109.4973	0.000	3	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CMoC)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CMoC)(CH3)2(H)	H(CCHH)	109.4223	2.348	6	109.4223	5.514	6	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]C)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]C)(CH3)2(H)	H(CCHH)	109.4686	0.021	8	109.4686	0.000	8	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CCCF)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CCCF)(CH3)(H)	H(CCHH)	109.4788	0.027	4	109.4788	0.001	4	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CCCO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CCCO)(CH3)(H)	H(CCHH)	109.4566	0.043	7	109.4566	0.002	7	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CCHH)(CH3)(H)	H(CCHH)	109.4554	0.073	16	109.4554	0.005	16	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CCHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CCHN)(CH3)(H)	H(CCHH)	109.4630	0.007	2	109.4630	0.000	2	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	H(CCHH)	109.6825	0.782	25	109.6825	0.611	25	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CCl3)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CCl3)(CH3)(H)	H(CCHH)	109.4770	0.033	3	109.4770	0.001	3	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CH3)2(H)	H(CCHH)	109.4676	0.035	21	109.4676	0.001	21	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CHHN)(CH3)(H)	H(CCHH)	110.1733	0.473	3	110.1733	0.224	3	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]O)(CHHS)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]O)(CHHS)(CH3)(H)	H(CCHH)	110.1440	1.135	11	110.1440	1.288	11	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[6]O)(CCCO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[6]O)(CCCO)(CH3)(H)	H(CCHH)	109.4775	0.008	2	109.4775	0.000	2	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[6]O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[6]O)(CCHH)(CH3)(H)	H(CCHH)	109.4708	0.036	11	109.4708	0.001	11	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[6]O)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[6]O)(CCHO)(CH3)(H)	H(CCHH)	109.8713	0.623	6	109.8713	0.388	6	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CRhO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CRhO)(CH3)2(H)	H(CCHH)	109.4228	0.053	5	109.4228	0.003	5	109.5641	0.504	584	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[5]F)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[5]F)(CH3)(NH3)(H)	H(CCHH)	109.4710	0.007	2	109.4710	0.000	2	109.6214	0.185	8	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CN[5]O)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5]O)(CH3)(NH3)(H)	H(CCHH)	109.6715	0.497	6	109.6715	0.247	6	109.6214	0.185	8	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]C)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]C)(NCHH)(CH3)(H)	H(CCHH)	109.4575	0.019	2	109.4575	0.000	2	109.2276	0.752	68	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]O)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]O)(NCHH)(CH3)(H)	H(CCHH)	109.1522	0.981	52	109.1522	0.963	52	109.2276	0.752	68	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]O)(NHHO)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]O)(NHHO)(CH3)(H)	H(CCHH)	109.4635	0.008	2	109.4635	0.000	2	109.2276	0.752	68	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CN[5]O)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5]O)(NCHH)(CH3)(H)	H(CCHH)	109.4813	0.022	9	109.4813	0.000	9	109.2276	0.752	68	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CN[6]O)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[6]O)(NCHH)(CH3)(H)	H(CCHH)	109.4633	0.016	3	109.4633	0.000	3	109.2276	0.752	68	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	H(CCHH)	109.4530	0.025	3	109.4530	0.001	3	109.4749	0.002	23	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	H(CCHH)	109.4781	0.045	20	109.4781	0.002	20	109.4749	0.002	23	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	109.4657	0.044	3	109.4657	0.002	3	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]N[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]N[5])(CH3)2(H)	H(CCHH)	109.4843	0.036	4	109.4843	0.001	4	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6,6]C[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6,6]C[5])(CH3)2(H)	H(CCHH)	109.4952	0.026	6	109.4952	0.001	6	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	109.4731	0.029	14	109.4731	0.001	14	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CH3)2(H)	H(CCHH)	109.4824	0.058	25	109.4824	0.003	25	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	H(CCHH)	109.4542	0.064	5	109.4542	0.004	5	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5])(CH3)2(H)	H(CCHH)	109.4679	0.035	45	109.4679	0.001	45	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CCHH)(CH3)(H)	H(CCHH)	109.4747	0.026	3	109.4747	0.001	3	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CCHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CCHO)(CH3)(H)	H(CCHH)	109.4673	0.027	3	109.4673	0.001	3	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4555	0.029	6	109.4555	0.001	6	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CH3)2(H)	H(CCHH)	109.4748	0.034	67	109.4748	0.001	67	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CHHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CHHO)(CH3)(H)	H(CCHH)	109.4685	0.022	11	109.4685	0.001	11	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	H(CCHH)	109.4457	0.045	3	109.4457	0.002	3	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5])(CH3)2(H)	H(CCHH)	109.4945	0.317	943	109.4945	0.100	943	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	H(CCHH)	109.4835	0.032	2	109.4835	0.001	2	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5])(CH3)2(H)	H(CCHH)	109.4642	0.030	4	109.4642	0.001	4	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5]2)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5]2)(CH3)2(H)	H(CCHH)	109.7544	1.228	55	109.7544	1.508	55	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5]P[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5]P[5])(CH3)2(H)	H(CCHH)	109.4716	0.055	16	109.4716	0.003	16	109.5023	0.148	1215	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]N[5]2)(NAl2C)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]N[5]2)(NAl2C)(CH3)(H)	H(CCHH)	109.4737	0.049	3	109.4737	0.002	3	109.4737	0.002	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	H(CCHH)	109.4714	0.026	5	109.4714	0.001	5	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	H(CCHH)	109.4791	0.051	8	109.4791	0.003	8	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCHH)	109.7180	0.524	9	109.7180	0.274	9	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	H(CCHH)	109.4807	0.016	3	109.4807	0.000	3	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	H(CCHH)	109.4775	0.038	48	109.4775	0.001	48	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHH)	109.4445	0.035	2	109.4445	0.001	2	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	H(CCHH)	109.4627	0.014	3	109.4627	0.000	3	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	H(CCHH)	109.4675	0.061	6	109.4675	0.004	6	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]2)(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]2)(CH3)2(H)	H(CCHH)	109.4653	0.038	41	109.4653	0.001	41	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCHH)	109.4740	0.051	6	109.4740	0.003	6	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(H)	H(CCHH)	109.5328	0.513	241	109.5328	0.263	241	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	H(CCHH)	109.4607	0.034	3	109.4607	0.001	3	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	H(CCHH)	107.1780	2.652	3	107.1780	7.032	3	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]S[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]S[5a])(CH3)2(H)	H(CCHH)	109.6017	1.844	53	109.6017	3.401	53	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	H(CCHH)	109.4850	0.027	3	109.4850	0.001	3	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]N[5a]2)(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]N[5a]2)(CH3)2(H)	H(CCHH)	109.4748	0.118	52	109.4748	0.014	52	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	H(CCHH)	109.4890	0.018	2	109.4890	0.000	2	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]N[5a]O[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]N[5a]O[5a])(CH3)2(H)	H(CCHH)	109.6530	1.299	15	109.6530	1.687	15	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(H)3	C(C[5a]N[5a]S[5a])(CH3)2(H)	H(CCHH)	C(CC[5a]CH)(H)3	C(C[5a]N[5a]S[5a])(CH3)2(H)	H(CCHH)	109.4556	0.018	5	109.4556	0.000	5	109.5107	0.589	508	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(H)3	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	C(CC[5a]C[5]H)(H)3	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	109.4400	0.071	3	109.4400	0.005	3	109.4223	0.015	6	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(H)3	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	C(CC[5a]C[5]H)(H)3	C(C[5a]N[5a]O[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	109.4047	0.177	3	109.4047	0.031	3	109.4223	0.015	6	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:S-4:C-4:H-1:	C-4:	C(CC[5a]HS)(H)3	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	H(CCHH)	C(CC[5a]HS)(H)3	C(C[5a]N[5a]2)(SC[6a]OO)(CH3)(H)	H(CCHH)	109.4822	0.027	4	109.4822	0.001	4	109.4822	0.001	4	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]2)(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]2)(CH3)2(H)	H(CCHH)	109.5063	0.026	8	109.5063	0.001	8	109.6022	0.323	71	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	H(CCHH)	109.6144	0.602	63	109.6144	0.363	63	109.6022	0.323	71	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:Br-1:	C-4:	C(CC[6]BrC)(H)3	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	H(CCHH)	C(CC[6]BrC)(H)3	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	H(CCHH)	109.4897	0.061	3	109.4897	0.004	3	109.4897	0.004	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-1:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(C)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(C)	H(CCHH)	109.4608	0.056	5	109.4608	0.003	5	109.4608	0.003	5	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]2)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]2)(CH3)2(H)	H(CCHH)	111.3702	3.531	6	111.3702	12.465	6	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	H(CCHH)	109.4887	0.024	3	109.4887	0.001	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6])(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6])(CH3)2(H)	H(CCHH)	109.4824	0.040	28	109.4824	0.002	28	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	H(CCHH)	109.4537	0.018	3	109.4537	0.000	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6])(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6])(CH3)2(H)	H(CCHH)	109.4720	0.049	3	109.4720	0.002	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	H(CCHH)	109.4973	0.032	3	109.4973	0.001	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6])(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6])(CH3)2(H)	H(CCHH)	110.0745	1.053	34	110.0745	1.109	34	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CCHH)(CH3)(H)	H(CCHH)	109.4904	0.030	7	109.4904	0.001	7	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CCHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CCHO)(CH3)(H)	H(CCHH)	109.4727	0.033	3	109.4727	0.001	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)2(H)	H(CCHH)	109.6096	0.999	785	109.6096	0.998	785	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	H(CCHH)	109.4597	0.032	10	109.4597	0.001	10	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CH3)2(H)	H(CCHH)	109.4635	0.068	98	109.4635	0.005	98	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	H(CCHH)	109.4702	0.021	9	109.4702	0.000	9	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	H(CCHH)	109.4450	0.031	3	109.4450	0.001	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	H(CCHH)	109.7877	0.339	3	109.7877	0.115	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CH3)2(H)	H(CCHH)	109.4598	0.047	11	109.4598	0.002	11	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	H(CCHH)	109.4310	0.024	3	109.4310	0.001	3	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]N[6]2)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]N[6]2)(CH3)2(H)	H(CCHH)	109.4788	0.038	21	109.4788	0.001	21	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]N[6]O[6])(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]N[6]O[6])(CH3)2(H)	H(CCHH)	109.4802	0.037	4	109.4802	0.001	4	109.6072	0.880	1037	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:N-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2)(CH3)(NH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2)(CH3)(NH3)(H)	H(CCHH)	109.4995	0.032	2	109.4995	0.001	2	109.4995	0.001	2	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	H(CCHH)	109.4353	0.065	11	109.4353	0.004	11	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	H(CCHH)	109.5377	0.023	3	109.5377	0.001	3	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	H(CCHH)	109.5033	0.023	3	109.5033	0.001	3	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	H(CCHH)	109.4334	0.035	5	109.4334	0.001	5	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	H(CCHH)	109.4748	0.033	4	109.4748	0.001	4	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	H(CCHH)	109.4426	0.052	5	109.4426	0.003	5	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	H(CCHH)	109.4720	0.042	11	109.4720	0.002	11	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	H(CCHH)	109.4573	0.027	11	109.4573	0.001	11	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	H(CCHH)	109.4927	0.102	3	109.4927	0.010	3	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	H(CCHH)	109.4730	0.044	9	109.4730	0.002	9	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	H(CCHH)	109.7404	0.524	9	109.7404	0.275	9	109.4974	0.041	74	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:O-4:C-4:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	H(CCHH)	109.5062	0.046	5	109.5062	0.002	5	109.5062	0.002	5	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:F-1:	C-4:	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	H(CCHH)	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	H(CCHH)	110.3107	1.121	3	110.3107	1.256	3	109.7854	0.548	8	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:F-1:	C-4:	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	H(CCHH)	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	H(CCHH)	109.4702	0.017	5	109.4702	0.000	5	109.7854	0.548	8	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	H(CCHH)	109.3601	0.419	27	109.3601	0.176	27	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CCHH)	109.4772	0.039	5	109.4772	0.002	5	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	H(CCHH)	109.4590	0.332	67	109.4590	0.111	67	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	H(CCHH)	109.4623	0.042	15	109.4623	0.002	15	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	H(CCHH)	109.4707	0.037	22	109.4707	0.001	22	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	H(CCHH)	109.4790	0.028	3	109.4790	0.001	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	H(CCHH)	109.4758	0.087	108	109.4758	0.008	108	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	H(CCHH)	109.4689	0.029	7	109.4689	0.001	7	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	H(CCHH)	109.5904	0.847	105	109.5904	0.718	105	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	H(CCHH)	109.9153	0.401	3	109.9153	0.161	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CAlHH)(CH3)(H)	H(CCHH)	109.4710	0.028	4	109.4710	0.001	4	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	H(CCHH)	109.4440	0.018	3	109.4440	0.000	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	H(CCHH)	109.4713	0.029	3	109.4713	0.001	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(H)	H(CCHH)	109.8213	1.603	3	109.8213	2.571	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CCHH)	110.3033	1.674	23	110.3033	2.803	23	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	H(CCHH)	109.4854	0.015	5	109.4854	0.000	5	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCHH)	109.5585	0.563	93	109.5585	0.318	93	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCHH)	109.9752	1.433	20	109.9752	2.052	20	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCHH)	109.6214	0.897	16	109.6214	0.805	16	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	H(CCHH)	109.4860	0.028	3	109.4860	0.001	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	H(CCHH)	109.4713	0.027	3	109.4713	0.001	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4696	0.018	5	109.4696	0.000	5	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	H(CCHH)	109.4980	0.077	6	109.4980	0.006	6	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	H(CCHH)	109.4833	0.013	3	109.4833	0.000	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CCHH)	109.4837	0.022	3	109.4837	0.000	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	H(CCHH)	109.4933	0.016	4	109.4933	0.000	4	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	H(CCHH)	109.4618	0.039	5	109.4618	0.002	5	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	H(CCHH)	111.2340	1.330	3	111.2340	1.769	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	H(CCHH)	109.4900	0.008	2	109.4900	0.000	2	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	H(CCHH)	109.4675	0.028	36	109.4675	0.001	36	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	H(CCHH)	109.4783	0.043	6	109.4783	0.002	6	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	H(CCHH)	109.4602	0.035	5	109.4602	0.001	5	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	109.5302	0.706	53680	109.5302	0.498	53680	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	H(CCHH)	109.5120	0.712	12	109.5120	0.508	12	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHH)	109.4571	0.014	9	109.4571	0.000	9	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	H(CCHH)	109.5003	0.044	3	109.5003	0.002	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	H(CCHH)	109.4722	0.032	5	109.4722	0.001	5	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	H(CCHH)	109.4587	0.038	3	109.4587	0.001	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	H(CCHH)	109.4500	0.042	2	109.4500	0.002	2	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CNiOO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CNiOO)(CH3)(H)	H(CCHH)	110.2602	1.222	6	110.2602	1.493	6	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CPbHH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CPbHH)(CH3)(H)	H(CCHH)	109.4630	0.024	4	109.4630	0.001	4	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CPtHH)(CH3)(H)	H(CCHH)	109.4737	0.058	6	109.4737	0.003	6	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CRuOO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CRuOO)(CH3)(H)	H(CCHH)	109.4957	0.019	3	109.4957	0.000	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	H(CCHH)	109.4937	0.050	3	109.4937	0.002	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	H(CCHH)	109.4620	0.047	3	109.4620	0.002	3	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	H(CCHH)	109.6964	1.037	9	109.6964	1.074	9	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(H)	H(CCHH)	109.4757	0.040	58	109.4757	0.002	58	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]O[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]O[6a])(CH3)2(H)	H(CCHH)	109.4554	0.038	12	109.4554	0.001	12	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	H(CCHH)	109.4654	0.041	18	109.4654	0.002	18	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]N[6a]2)(CC3)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]N[6a]2)(CC3)(CH3)(H)	H(CCHH)	109.4895	0.035	2	109.4895	0.001	2	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]N[6a]2)(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]N[6a]2)(CH3)2(H)	H(CCHH)	110.7955	1.141	6	110.7955	1.303	6	109.5307	0.497	54460	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	H(CCHH)	109.4768	0.038	6	109.4768	0.001	6	109.4972	0.692	664	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	H(CCHH)	109.4572	0.102	24	109.4572	0.010	24	109.4972	0.692	664	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NC3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NC3)(H)	H(CCHH)	109.4619	0.126	12	109.4619	0.016	12	109.4972	0.692	664	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	H(CCHH)	109.4996	0.859	622	109.4996	0.738	622	109.4972	0.692	664	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C(CC[6a]HP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(H)	H(CCHH)	C(CC[6a]HP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(H)	H(CCHH)	109.4890	0.016	3	109.4890	0.000	3	109.4890	0.000	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:	C(CC[6a]C[3]H)(H)3	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	H(CCHH)	C(CC[6a]C[3]H)(H)3	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	H(CCHH)	109.4574	0.022	5	109.4574	0.000	5	109.4574	0.000	5	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:F-1:	C-4:	C(CC[6a]C[6]F)(H)3	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	H(CCHH)	C(CC[6a]C[6]F)(H)3	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	H(CCHH)	109.4647	0.031	3	109.4647	0.001	3	109.4647	0.001	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	H(CCHH)	C(CC[6a]C[6]H)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(H)	H(CCHH)	109.4743	0.019	10	109.4743	0.000	10	109.4743	0.000	10	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:Ge-4:C-4:H-1:	C-4:	C(CC[6a]GeH)(H)3	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	H(CCHH)	C(CC[6a]GeH)(H)3	C(C[6a]C[6a]2)(GeC3)(CH3)(H)	H(CCHH)	109.4883	0.036	3	109.4883	0.001	3	109.4883	0.001	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	H(CCHH)	109.4423	0.036	6	109.4423	0.001	6	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	H(CCHH)	109.4408	0.031	4	109.4408	0.001	4	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NCoHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NCoHH)(CH3)(H)	H(CCHH)	109.4855	0.047	6	109.4855	0.002	6	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NIrHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NIrHH)(CH3)(H)	H(CCHH)	109.4498	0.980	9	109.4498	0.960	9	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPdCC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPdCC)(CH3)(H)	H(CCHH)	109.4769	0.053	132	109.4769	0.003	132	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPdHH)(CH3)(H)	H(CCHH)	109.4798	0.042	21	109.4798	0.002	21	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPtCC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPtCC)(CH3)(H)	H(CCHH)	109.4617	0.046	38	109.4617	0.002	38	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPtHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NPtHH)(CH3)(H)	H(CCHH)	109.4726	0.046	5	109.4726	0.002	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NRu2H)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NRu2H)(CH3)(H)	H(CCHH)	109.4386	0.036	5	109.4386	0.001	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NRuHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a,6a]C[6a])(NRuHH)(CH3)(H)	H(CCHH)	109.4549	0.038	15	109.4549	0.001	15	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NAlHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NAlHH)(CH3)(H)	H(CCHH)	109.4677	0.038	3	109.4677	0.001	3	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	H(CCHH)	109.4327	0.011	3	109.4327	0.000	3	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	H(CCHH)	109.0385	0.587	6	109.0385	0.344	6	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(CCHH)	109.5934	0.512	34	109.5934	0.262	34	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	H(CCHH)	109.4916	0.065	9	109.4916	0.004	9	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	H(CCHH)	109.4961	0.041	9	109.4961	0.002	9	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	H(CCHH)	109.4643	0.028	12	109.4643	0.001	12	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]IrH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NC[6]IrH)(CH3)(H)	H(CCHH)	109.4463	0.068	4	109.4463	0.005	4	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCoHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCoHH)(CH3)(H)	H(CCHH)	110.1709	1.590	8	110.1709	2.530	8	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCuCH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCuCH)(CH3)(H)	H(CCHH)	109.4697	0.031	3	109.4697	0.001	3	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCuHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NCuHH)(CH3)(H)	H(CCHH)	109.4774	0.084	22	109.4774	0.007	22	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NIrCH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NIrCH)(CH3)(H)	H(CCHH)	109.4560	0.007	5	109.4560	0.000	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLi2C)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLi2C)(CH3)(H)	H(CCHH)	109.4680	0.061	23	109.4680	0.004	23	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLi2P)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NLi2P)(CH3)(H)	H(CCHH)	109.4634	0.018	5	109.4634	0.000	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NMg2C)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NMg2C)(CH3)(H)	H(CCHH)	109.4710	0.021	5	109.4710	0.000	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NNiCH)(CH3)(H)	H(CCHH)	109.4580	0.047	28	109.4580	0.002	28	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdCC)(CH3)(H)	H(CCHH)	109.4827	0.391	156	109.4827	0.153	156	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdCH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdCH)(CH3)(H)	H(CCHH)	109.4847	0.057	9	109.4847	0.003	9	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPdHH)(CH3)(H)	H(CCHH)	109.4680	0.084	135	109.4680	0.007	135	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPtCC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPtCC)(CH3)(H)	H(CCHH)	109.4596	0.050	5	109.4596	0.002	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NPtHH)(CH3)(H)	H(CCHH)	109.4638	0.068	42	109.4638	0.005	42	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRhCH)(CH3)(H)	H(CCHH)	109.4822	0.037	6	109.4822	0.001	6	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRuCC)(CH3)(H)	H(CCHH)	109.4908	0.028	10	109.4908	0.001	10	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRuHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NRuHH)(CH3)(H)	H(CCHH)	109.4700	0.031	3	109.4700	0.001	3	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnCC)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnCC)(CH3)(H)	H(CCHH)	109.4764	0.043	5	109.4764	0.002	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnCH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnCH)(CH3)(H)	H(CCHH)	109.7952	0.330	5	109.7952	0.109	5	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnHH)(CH3)(H)	H(CCHH)	C(CC[6a]HN)(H)3	C(C[6a]C[6a]2)(NZnHH)(CH3)(H)	H(CCHH)	109.4660	0.790	6	109.4660	0.625	6	109.4831	0.089	802	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[4]-4:C-4:H-1:	C-4:	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	H(CCHH)	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	H(CCHH)	109.4780	0.028	2	109.4780	0.001	2	109.4780	0.001	2	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N[5]-4:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2H)(CH3)(H)	H(CCHH)	109.4753	0.047	3	109.4753	0.002	3	109.4753	0.002	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(H)3	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(CH3)(H)	H(CCHH)	C(CC[6a]HP)(H)3	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Pt)(CH3)(H)	H(CCHH)	109.4417	0.015	3	109.4417	0.000	3	109.4650	0.001	33	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(H)3	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	H(CCHH)	C(CC[6a]HP)(H)3	C(C[6a]C[6a]2)(PC[6a]2Pd)(CH3)(H)	H(CCHH)	109.4673	0.037	30	109.4673	0.001	30	109.4650	0.001	33	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:H-1:	C-4:	C(CC[6a]HS)(H)3	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	H(CCHH)	C(CC[6a]HS)(H)3	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	H(CCHH)	109.4567	0.014	3	109.4567	0.000	3	109.4736	0.001	30	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:H-1:	C-4:	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	H(CCHH)	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SCOO)(CH3)(H)	H(CCHH)	109.4698	0.049	10	109.4698	0.002	10	109.4736	0.001	30	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:S-4:C-4:H-1:	C-4:	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	H(CCHH)	C(CC[6a]HS)(H)3	C(C[6a]C[6a]2)(SC[6a]OO)(CH3)(H)	H(CCHH)	109.4788	0.031	17	109.4788	0.001	17	109.4736	0.001	30	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:	C(CC[6a]SiH)(H)3	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	H(CCHH)	C(CC[6a]SiH)(H)3	C(C[6a]C[6a]2)(SiC3)(CH3)(H)	H(CCHH)	109.9444	1.753	8	109.9444	3.071	8	109.7698	1.844	13	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:	C(CC[6a]SiH)(H)3	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	H(CCHH)	C(CC[6a]SiH)(H)3	C(C[6a]C[6a]2)(SiC[6a]HH)(CH3)(H)	H(CCHH)	109.4900	0.004	2	109.4900	0.000	2	109.7698	1.844	13	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:	C(CC[6a]SiH)(H)3	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	H(CCHH)	C(CC[6a]SiH)(H)3	C(C[6a]C[6a]2)(SiC[6a]HO)(CH3)(H)	H(CCHH)	109.4910	0.013	3	109.4910	0.000	3	109.7698	1.844	13	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ga-3:C-4:C-4:H-1:	C-4:	C(CGaCH)(H)3	C(GaCC)(CH3)2(H)	H(CCHH)	C(CGaCH)(H)3	C(GaCC)(CH3)2(H)	H(CCHH)	109.4718	0.041	8	109.4718	0.002	8	109.4718	0.002	8	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NAlC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NAlC)(CH3)2(H)	H(CCHH)	109.4953	0.782	238	109.4953	0.611	238	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NAlP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NAlP)(CH3)2(H)	H(CCHH)	109.4633	0.059	9	109.4633	0.003	9	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NAuC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NAuC)(CH3)2(H)	H(CCHH)	109.4754	0.042	8	109.4754	0.002	8	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[3,3]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[3,3]C)(CH3)2(H)	H(CCHH)	109.4687	0.210	173	109.4687	0.044	173	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[4,4]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[4,4]C)(CH3)2(H)	H(CCHH)	110.3681	1.043	12	110.3681	1.087	12	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[4]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[4]C)(CH3)2(H)	H(CCHH)	109.4297	0.846	56	109.4297	0.715	56	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[5]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[5]C)(CH3)2(H)	H(CCHH)	109.7804	1.218	93	109.7804	1.483	93	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[6,6]C[4])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[6,6]C[4])(CH3)2(H)	H(CCHH)	109.4746	0.095	5	109.4746	0.009	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[6,6]C[5a])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[6,6]C[5a])(CH3)2(H)	H(CCHH)	109.4730	0.093	5	109.4730	0.009	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[6]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[6]C)(CH3)2(H)	H(CCHH)	109.4806	0.065	53	109.4806	0.004	53	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[6a]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[6a]C)(CH3)2(H)	H(CCHH)	110.8687	1.523	12	110.8687	2.318	12	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[3]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[3]C)(CH3)2(H)	H(CCHH)	109.5243	0.469	311	109.5243	0.220	311	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[4]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[4]C)(CH3)2(H)	H(CCHH)	109.3871	0.356	75	109.3871	0.127	75	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[4]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[4]H)(CH3)2(H)	H(CCHH)	109.4849	0.101	12	109.4849	0.010	12	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[4a]O)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[4a]O)(CH3)2(H)	H(CCHH)	109.4630	0.018	5	109.4630	0.000	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5]Al)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5]Al)(CCHH)(CH3)(H)	H(CCHH)	109.4470	0.038	2	109.4470	0.001	2	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5]Al)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5]Al)(CH3)2(H)	H(CCHH)	109.4694	0.030	5	109.4694	0.001	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5]B)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5]B)(CH3)2(H)	H(CCHH)	109.4775	0.051	8	109.4775	0.003	8	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5]C)(CH3)2(H)	H(CCHH)	109.4805	0.037	67	109.4805	0.001	67	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5]H)(CH3)2(H)	H(CCHH)	109.4816	0.961	56	109.4816	0.924	56	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5a]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5a]C)(CH3)2(H)	H(CCHH)	109.4746	0.037	19	109.4746	0.001	19	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5a]C[6a])(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5a]C[6a])(CCHH)(CH3)(H)	H(CCHH)	109.4540	0.041	2	109.4540	0.002	2	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5a]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5a]H)(CH3)2(H)	H(CCHH)	109.4737	0.034	19	109.4737	0.001	19	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5a]N)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5a]N)(CH3)2(H)	H(CCHH)	111.1658	2.110	6	111.1658	4.451	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[5a]S)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[5a]S)(CH3)2(H)	H(CCHH)	109.4657	0.041	8	109.4657	0.002	8	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]B)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]B)(CH3)2(H)	H(CCHH)	109.4767	0.027	4	109.4767	0.001	4	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]C)(CH3)2(H)	H(CCHH)	109.4715	0.032	16	109.4715	0.001	16	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]Cu)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]Cu)(CH3)2(H)	H(CCHH)	109.5044	0.021	5	109.5044	0.000	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4682	0.034	17	109.4682	0.001	17	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]H)(CH3)2(H)	H(CCHH)	109.3923	0.645	40	109.3923	0.416	40	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]Ta)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]Ta)(CH3)2(H)	H(CCHH)	109.4958	0.037	4	109.4958	0.001	4	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]W)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]W)(CH3)2(H)	H(CCHH)	109.4785	0.021	4	109.4785	0.000	4	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]2)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]2)(CH3)2(H)	H(CCHH)	110.5217	1.317	10	110.5217	1.733	10	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]Al)(CCCN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]Al)(CCCN)(CH3)(H)	H(CCHH)	109.4230	0.042	2	109.4230	0.002	2	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]C)(CC3)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]C)(CC3)(CH3)(H)	H(CCHH)	109.4830	0.030	3	109.4830	0.001	3	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCHH)	109.3224	1.126	33	109.3224	1.267	33	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]C)(CH3)2(H)	H(CCHH)	109.7728	0.751	200	109.7728	0.564	200	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]C)(CHHO)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]C)(CHHO)(CH3)(H)	H(CCHH)	110.1838	3.019	6	110.1838	9.115	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]C[6])(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]C[6])(CH3)2(H)	H(CCHH)	109.4904	0.040	9	109.4904	0.002	9	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]Ca)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]Ca)(CH3)2(H)	H(CCHH)	109.4840	0.020	5	109.4840	0.000	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]H)(CC3)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]H)(CC3)(CH3)(H)	H(CCHH)	109.4574	0.044	8	109.4574	0.002	8	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]H)(CCCH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]H)(CCCH)(CH3)(H)	H(CCHH)	109.4612	0.042	13	109.4612	0.002	13	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCHH)	109.4782	0.034	13	109.4782	0.001	13	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]H)(CCHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]H)(CCHN)(CH3)(H)	H(CCHH)	109.4710	0.007	2	109.4710	0.000	2	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]H)(CH3)2(H)	H(CCHH)	109.5204	0.897	121	109.5204	0.805	121	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]S)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]S)(CCHH)(CH3)(H)	H(CCHH)	109.4695	0.023	2	109.4695	0.001	2	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]Sb)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]Sb)(CH3)2(H)	H(CCHH)	109.4774	0.042	19	109.4774	0.002	19	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]Zn)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]Zn)(CH3)2(H)	H(CCHH)	109.4782	0.038	14	109.4782	0.001	14	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCaC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCaC)(CH3)2(H)	H(CCHH)	109.4990	0.107	11	109.4990	0.011	11	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCeC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCeC)(CH3)2(H)	H(CCHH)	109.4743	0.050	75	109.4743	0.003	75	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoC)(CC3)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoC)(CC3)(CH3)(H)	H(CCHH)	109.4673	0.051	4	109.4673	0.003	4	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCoC)(CH3)2(H)	H(CCHH)	109.9350	1.413	120	109.9350	1.996	120	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCrC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCrC)(CH3)2(H)	H(CCHH)	109.4699	0.046	138	109.4699	0.002	138	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCrP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCrP)(CH3)2(H)	H(CCHH)	109.9612	1.403	91	109.9612	1.967	91	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCuC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCuC)(CH3)2(H)	H(CCHH)	109.5093	0.585	115	109.5093	0.343	115	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCuP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCuP)(CH3)2(H)	H(CCHH)	109.9625	0.973	6	109.9625	0.947	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NDyC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NDyC)(CH3)2(H)	H(CCHH)	109.4691	0.056	42	109.4691	0.003	42	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NErC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NErC)(CH3)2(H)	H(CCHH)	109.4704	0.052	30	109.4704	0.003	30	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NFeC)(CC3)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NFeC)(CC3)(CH3)(H)	H(CCHH)	109.4781	0.021	7	109.4781	0.000	7	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NFeC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NFeC)(CH3)2(H)	H(CCHH)	109.4672	0.033	74	109.4672	0.001	74	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NFeP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NFeP)(CH3)2(H)	H(CCHH)	110.1738	1.300	153	110.1738	1.689	153	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NGaC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NGaC)(CH3)2(H)	H(CCHH)	109.4831	0.035	7	109.4831	0.001	7	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NGdC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NGdC)(CH3)2(H)	H(CCHH)	109.4761	0.046	34	109.4761	0.002	34	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NGeC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NGeC)(CH3)2(H)	H(CCHH)	109.4748	0.047	42	109.4748	0.002	42	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NHfC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NHfC)(CH3)2(H)	H(CCHH)	109.4757	0.055	131	109.4757	0.003	131	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NHfP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NHfP)(CH3)2(H)	H(CCHH)	109.4567	0.951	6	109.4567	0.904	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NIrC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NIrC)(CH3)2(H)	H(CCHH)	109.4709	0.196	307	109.4709	0.038	307	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NIrP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NIrP)(CH3)2(H)	H(CCHH)	110.6428	1.654	6	110.6428	2.736	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLiC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NLiC)(CH3)2(H)	H(CCHH)	109.4642	0.207	34	109.4642	0.043	34	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLiP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NLiP)(CH3)2(H)	H(CCHH)	109.4759	0.028	18	109.4759	0.001	18	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMgC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMgC)(CH3)2(H)	H(CCHH)	109.4702	0.039	95	109.4702	0.002	95	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMgSi)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMgSi)(CH3)2(H)	H(CCHH)	109.4617	0.411	12	109.4617	0.169	12	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMnC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMnC)(CH3)2(H)	H(CCHH)	109.4769	0.039	8	109.4769	0.002	8	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMnP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMnP)(CH3)2(H)	H(CCHH)	110.4478	1.190	18	110.4478	1.417	18	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMoC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMoC)(CH3)2(H)	H(CCHH)	109.4700	0.040	82	109.4700	0.002	82	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNb[3,3]P)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNb[3,3]P)(CH3)2(H)	H(CCHH)	110.3962	0.939	6	110.3962	0.881	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNdC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNdC)(CH3)2(H)	H(CCHH)	109.4652	0.062	37	109.4652	0.004	37	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNdP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNdP)(CH3)2(H)	H(CCHH)	109.4766	0.061	24	109.4766	0.004	24	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiC)(CC3)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiC)(CC3)(CH3)(H)	H(CCHH)	109.4676	0.071	25	109.4676	0.005	25	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNiC)(CH3)2(H)	H(CCHH)	109.4884	0.056	13	109.4884	0.003	13	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNiP)(CH3)2(H)	H(CCHH)	109.4575	0.047	14	109.4575	0.002	14	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NP[3]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NP[3]C)(CH3)2(H)	H(CCHH)	110.2862	1.736	12	110.2862	3.013	12	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NP[4]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NP[4]C)(CH3)2(H)	H(CCHH)	110.7790	1.816	49	110.7790	3.299	49	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NP[5]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NP[5]C)(CH3)2(H)	H(CCHH)	109.1573	1.236	33	109.1573	1.529	33	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NP[5]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NP[5]H)(CH3)2(H)	H(CCHH)	109.4952	0.031	5	109.4952	0.001	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NP[6,6]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NP[6,6]H)(CH3)2(H)	H(CCHH)	109.4711	0.031	18	109.4711	0.001	18	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NP[6]H)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NP[6]H)(CH3)2(H)	H(CCHH)	109.4869	0.055	35	109.4869	0.003	35	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NPdC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NPdC)(CH3)2(H)	H(CCHH)	109.4751	0.054	82	109.4751	0.003	82	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRhC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NRhC)(CH3)2(H)	H(CCHH)	109.4678	0.052	16	109.4678	0.003	16	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRhP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NRhP)(CH3)2(H)	H(CCHH)	110.1023	1.293	6	110.1023	1.671	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRuC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NRuC)(CH3)2(H)	H(CCHH)	109.4660	0.051	73	109.4660	0.003	73	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSbC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSbC)(CH3)2(H)	H(CCHH)	109.4703	0.020	3	109.4703	0.000	3	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NScC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NScC)(CH3)2(H)	H(CCHH)	109.4708	0.025	36	109.4708	0.001	36	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSiC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSiC)(CH3)2(H)	H(CCHH)	109.4751	0.441	60	109.4751	0.195	60	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSiZn)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSiZn)(CH3)2(H)	H(CCHH)	109.4603	0.424	6	109.4603	0.180	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSi[4,5]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSi[4,5]C)(CH3)2(H)	H(CCHH)	109.4460	0.071	5	109.4460	0.005	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSi[4]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSi[4]C)(CH3)2(H)	H(CCHH)	109.4791	0.029	11	109.4791	0.001	11	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSi[5]C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSi[5]C)(CH3)2(H)	H(CCHH)	109.4747	0.039	26	109.4747	0.002	26	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSnC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSnC)(CH3)2(H)	H(CCHH)	109.4792	0.209	51	109.4792	0.044	51	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSrC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSrC)(CH3)2(H)	H(CCHH)	109.4675	0.055	8	109.4675	0.003	8	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NTaC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NTaC)(CH3)2(H)	H(CCHH)	109.5781	0.534	190	109.5781	0.286	190	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NTaP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NTaP)(CH3)2(H)	H(CCHH)	110.3367	0.938	18	110.3367	0.880	18	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NThC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NThC)(CH3)2(H)	H(CCHH)	109.4662	0.051	105	109.4662	0.003	105	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NTi2)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NTi2)(CH3)2(H)	H(CCHH)	109.4790	0.028	6	109.4790	0.001	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NTiC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NTiC)(CH3)2(H)	H(CCHH)	109.4307	0.851	472	109.4307	0.725	472	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NTiP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NTiP)(CH3)2(H)	H(CCHH)	109.4972	0.067	5	109.4972	0.005	5	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NYbC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NYbC)(CH3)2(H)	H(CCHH)	109.4731	0.049	39	109.4731	0.002	39	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZnC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NZnC)(CH3)2(H)	H(CCHH)	109.5636	1.186	138	109.5636	1.406	138	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZnP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NZnP)(CH3)2(H)	H(CCHH)	109.4382	2.880	6	109.4382	8.292	6	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZrC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NZrC)(CH3)2(H)	H(CCHH)	109.4735	0.054	141	109.4735	0.003	141	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZrP)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NZrP)(CH3)2(H)	H(CCHH)	109.4782	0.509	17	109.4782	0.259	17	109.5658	0.542	5266	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:H-1:	C-4:	C(CN[3]CH)(H)3	C(N[3]C[3]P[3])(CH3)2(H)	H(CCHH)	C(CN[3]CH)(H)3	C(N[3]C[3]P[3])(CH3)2(H)	H(CCHH)	109.4970	0.029	5	109.4970	0.001	5	109.9180	1.035	58	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:H-1:	C-4:	C(CN[3]CH)(H)3	C(N[3]Nb[3,3]P[3])(CH3)2(H)	H(CCHH)	C(CN[3]CH)(H)3	C(N[3]Nb[3,3]P[3])(CH3)2(H)	H(CCHH)	110.0227	1.450	12	110.0227	2.104	12	109.9180	1.035	58	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:H-1:	C-4:	C(CN[3]CH)(H)3	C(N[3]Nb[3x3]P[3])(CH3)2(H)	H(CCHH)	C(CN[3]CH)(H)3	C(N[3]Nb[3x3]P[3])(CH3)2(H)	H(CCHH)	109.9387	0.933	41	109.9387	0.870	41	109.9180	1.035	58	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]B[4,6,6]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]B[4,6,6]C[4])(CH3)2(H)	H(CCHH)	109.4710	0.126	6	109.4710	0.016	6	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	H(CCHH)	109.3676	1.102	64	109.3676	1.214	64	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]C[4,5]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]C[4,5]C[4])(CH3)2(H)	H(CCHH)	109.4777	0.035	3	109.4777	0.001	3	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]C[4]2)(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]C[4]2)(CH3)2(H)	H(CCHH)	109.4693	0.428	28	109.4693	0.183	28	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]C[4]P[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]C[4]P[4])(CH3)2(H)	H(CCHH)	109.4642	0.037	5	109.4642	0.001	5	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Ga[4,4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Ga[4,4]C[4])(CH3)2(H)	H(CCHH)	109.4718	0.018	5	109.4718	0.000	5	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Ga[4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Ga[4]C[4])(CH3)2(H)	H(CCHH)	109.4660	0.031	6	109.4660	0.001	6	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	H(CCHH)	109.4807	0.045	58	109.4807	0.002	58	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]In[3x4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]In[3x4]C[4])(CH3)2(H)	H(CCHH)	109.4815	0.049	38	109.4815	0.002	38	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]In[4,4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]In[4,4]C[4])(CH3)2(H)	H(CCHH)	109.4649	0.038	7	109.4649	0.001	7	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]In[4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]In[4]C[4])(CH3)2(H)	H(CCHH)	109.4617	0.040	10	109.4617	0.002	10	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Nb[3,4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Nb[3,4]C[4])(CH3)2(H)	H(CCHH)	109.4905	0.038	4	109.4905	0.001	4	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	H(CCHH)	109.4606	0.037	10	109.4606	0.001	10	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]P[4,6]2)(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]P[4,6]2)(CH3)2(H)	H(CCHH)	109.4749	0.062	9	109.4749	0.004	9	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	H(CCHH)	109.4768	0.037	18	109.4768	0.001	18	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	H(CCHH)	109.4703	0.039	65	109.4703	0.001	65	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	H(CCHH)	109.4693	0.032	8	109.4693	0.001	8	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Si[4,5]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Si[4,5]C[4])(CH3)2(H)	H(CCHH)	109.4691	0.042	43	109.4691	0.002	43	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(H)3	C(N[4]Si[4]C[4])(CH3)2(H)	H(CCHH)	C(CN[4]CH)(H)3	C(N[4]Si[4]C[4])(CH3)2(H)	H(CCHH)	109.4733	0.019	11	109.4733	0.000	11	109.4562	0.208	398	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]B[5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]B[5]C[5])(CH3)2(H)	H(CCHH)	109.4645	0.034	15	109.4645	0.001	15	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]B[5]N[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]B[5]N[5])(CH3)2(H)	H(CCHH)	109.4712	0.582	52	109.4712	0.339	52	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,5]C[5])(CH3)2(H)	H(CCHH)	109.6308	0.520	17	109.6308	0.271	17	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,5]S[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,5]S[5])(CH3)2(H)	H(CCHH)	109.4624	0.029	5	109.4624	0.001	5	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	109.4680	0.011	2	109.4680	0.000	2	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CH3)2(H)	H(CCHH)	109.4692	0.037	19	109.4692	0.001	19	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	H(CCHH)	109.4640	0.038	3	109.4640	0.001	3	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6]P[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6]P[5])(CH3)2(H)	H(CCHH)	109.4774	0.055	41	109.4774	0.003	41	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	H(CCHH)	109.4584	0.033	9	109.4584	0.001	9	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5])(CH3)2(H)	H(CCHH)	109.4815	0.172	996	109.4815	0.030	996	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5,6a]Se[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5,6a]Se[5])(CH3)2(H)	H(CCHH)	109.4617	0.024	8	109.4617	0.001	8	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC3)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC3)(CH3)(H)	H(CCHH)	109.8727	1.580	6	109.8727	2.497	6	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CCHH)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CCHH)(CH3)(H)	H(CCHH)	109.4701	0.020	10	109.4701	0.000	10	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	H(CCHH)	109.4355	0.052	2	109.4355	0.003	2	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	H(CCHH)	109.4877	2.103	3	109.4877	4.421	3	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CFeHH)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CFeHH)(CH3)(H)	H(CCHH)	109.4677	0.309	3	109.4677	0.095	3	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)2(H)	H(CCHH)	109.5045	0.517	3991	109.5045	0.268	3991	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CIrHH)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CIrHH)(CH3)(H)	H(CCHH)	109.0947	0.541	3	109.0947	0.293	3	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CRuHH)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CRuHH)(CH3)(H)	H(CCHH)	109.4624	0.038	16	109.4624	0.001	16	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	H(CCHH)	109.4900	0.053	6	109.4900	0.003	6	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]N[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]N[5])(CH3)2(H)	H(CCHH)	109.4872	0.813	147	109.4872	0.661	147	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]P[5])(CC3)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]P[5])(CC3)(CH3)(H)	H(CCHH)	109.4725	0.009	2	109.4725	0.000	2	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]P[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]P[5])(CH3)2(H)	H(CCHH)	109.6372	0.631	46	109.6372	0.398	46	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]S[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]S[5])(CH3)2(H)	H(CCHH)	109.4180	0.102	4	109.4180	0.010	4	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]Ga[5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]Ga[5]C[5])(CH3)2(H)	H(CCHH)	109.4697	0.041	13	109.4697	0.002	13	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	H(CCHH)	109.4885	0.019	2	109.4885	0.000	2	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]P[3x5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]P[3x5]C[5])(CH3)2(H)	H(CCHH)	109.4847	0.036	10	109.4847	0.001	10	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]P[5,5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]P[5,5]C[5])(CH3)2(H)	H(CCHH)	109.4718	0.079	19	109.4718	0.006	19	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]P[5,6]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]P[5,6]C[5])(CH3)2(H)	H(CCHH)	109.4801	0.041	7	109.4801	0.002	7	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]Si[3,5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]Si[3,5]C[5])(CH3)2(H)	H(CCHH)	109.4805	0.035	4	109.4805	0.001	4	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]Si[5,5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]Si[5,5]C[5])(CH3)2(H)	H(CCHH)	109.4445	0.061	6	109.4445	0.004	6	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]Si[5]C[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]Si[5]C[5])(CH3)2(H)	H(CCHH)	109.4738	0.028	12	109.4738	0.001	12	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]Si[5]N[5])(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]Si[5]N[5])(CH3)2(H)	H(CCHH)	109.4422	0.043	5	109.4422	0.002	5	109.4998	0.230	5484	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5]N[5]H)(H)3	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	C(CC[5]N[5]H)(H)3	C(N[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	109.4723	0.041	6	109.4723	0.002	6	109.4723	0.002	6	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-3:S-4:C-4:H-1:	C-4:	C(CN[5]HS)(H)3	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	H(CCHH)	C(CN[5]HS)(H)3	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	H(CCHH)	109.4580	0.098	3	109.4580	0.010	3	109.4580	0.010	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]B[5a]C[5a])(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]B[5a]C[5a])(CH3)2(H)	H(CCHH)	109.4890	0.036	9	109.4890	0.001	9	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	H(CCHH)	109.4654	0.046	12	109.4654	0.002	12	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	H(CCHH)	109.4753	0.024	3	109.4753	0.001	3	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]2)(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]2)(CH3)2(H)	H(CCHH)	109.5932	0.517	19	109.5932	0.267	19	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	H(CCHH)	109.4520	0.023	5	109.4520	0.001	5	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCHH)	109.4870	0.034	9	109.4870	0.001	9	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	H(CCHH)	109.4669	0.326	175	109.4669	0.106	175	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHH)	109.4580	0.041	3	109.4580	0.002	3	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	H(CCHH)	109.4887	0.015	3	109.4887	0.000	3	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	H(CCHH)	109.4574	0.037	5	109.4574	0.001	5	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a]2)(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a]2)(CH3)2(H)	H(CCHH)	109.6354	0.550	87	109.6354	0.303	87	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCHH)	109.4853	0.025	3	109.4853	0.001	3	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CH3)2(H)	H(CCHH)	109.5344	0.700	43	109.5344	0.490	43	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	H(CCHH)	109.4438	0.029	6	109.4438	0.001	6	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	H(CCHH)	109.4873	0.009	3	109.4873	0.000	3	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(H)3	C(N[5a]N[5a]2)(CH3)2(H)	H(CCHH)	C(CN[5a]CH)(H)3	C(N[5a]N[5a]2)(CH3)2(H)	H(CCHH)	109.4884	0.050	5	109.4884	0.002	5	109.5191	0.185	390	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CN[5a]C[5]H)(H)3	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	C(CN[5a]C[5]H)(H)3	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	109.4873	0.053	3	109.4873	0.003	3	109.7924	1.245	18	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CN[5a]C[5]H)(H)3	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	C(CN[5a]C[5]H)(H)3	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	111.3170	2.481	3	111.3170	6.156	3	109.7924	1.245	18	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CN[5a]C[5]H)(H)3	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	C(CN[5a]C[5]H)(H)3	C(N[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)(H)	H(CCHH)	109.4876	0.208	12	109.4876	0.043	12	109.7924	1.245	18	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]B[3x6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]B[3x6]C[6])(CH3)2(H)	H(CCHH)	109.4766	0.198	31	109.4766	0.039	31	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]B[5,6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]B[5,6]C[6])(CH3)2(H)	H(CCHH)	109.4694	0.024	7	109.4694	0.001	7	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]B[6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]B[6]C[6])(CH3)2(H)	H(CCHH)	109.4733	0.030	32	109.4733	0.001	32	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[4,5,6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[4,5,6]C[6])(CH3)2(H)	H(CCHH)	109.4620	0.030	4	109.4620	0.001	4	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6,6a]As[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6,6a]As[6])(CH3)2(H)	H(CCHH)	109.4721	0.044	10	109.4721	0.002	10	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6,6a]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6,6a]C[6])(CH3)2(H)	H(CCHH)	109.5758	0.527	95	109.5758	0.278	95	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CCHH)(CH3)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CCHH)(CH3)(H)	H(CCHH)	109.4782	0.061	6	109.4782	0.004	6	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CH3)2(H)	H(CCHH)	109.5593	0.935	277	109.5593	0.874	277	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CHHO)(CH3)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CHHO)(CH3)(H)	H(CCHH)	109.4814	0.028	5	109.4814	0.001	5	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CHHP)(CH3)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CHHP)(CH3)(H)	H(CCHH)	109.4547	0.364	3	109.4547	0.132	3	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]N[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]N[6])(CH3)2(H)	H(CCHH)	109.4693	0.583	221	109.4693	0.340	221	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]S[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]S[6])(CH3)2(H)	H(CCHH)	109.4787	0.032	11	109.4787	0.001	11	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]Ga[6,6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]Ga[6,6]C[6])(CH3)2(H)	H(CCHH)	109.4748	0.024	5	109.4748	0.001	5	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]Ga[6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]Ga[6]C[6])(CH3)2(H)	H(CCHH)	109.4558	0.029	11	109.4558	0.001	11	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]Ge[6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]Ge[6]C[6])(CH3)2(H)	H(CCHH)	109.4605	0.414	51	109.4605	0.172	51	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]P[6,6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]P[6,6]C[6])(CH3)2(H)	H(CCHH)	109.4629	0.023	7	109.4629	0.001	7	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]Si[6,6]C[6])(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]Si[6,6]C[6])(CH3)2(H)	H(CCHH)	109.4682	0.018	5	109.4682	0.000	5	109.5141	0.454	781	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCHH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCHH)	109.4859	0.572	12	109.4859	0.327	12	109.4724	0.037	101	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	H(CCHH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	H(CCHH)	109.4706	0.034	89	109.4706	0.001	89	109.4724	0.037	101	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OAl2)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OAl2)(CH3)2(H)	H(CCHH)	109.4663	0.050	67	109.4663	0.002	67	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OAlCr)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OAlCr)(CH3)2(H)	H(CCHH)	109.4767	0.039	10	109.4767	0.002	10	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OAlNi)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OAlNi)(CH3)2(H)	H(CCHH)	109.4503	0.054	6	109.4503	0.003	6	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a]Ir)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a]Ir)(CH3)2(H)	H(CCHH)	109.4732	0.333	12	109.4732	0.111	12	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OC[6a]Ru)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OC[6a]Ru)(CH3)2(H)	H(CCHH)	109.4617	0.076	7	109.4617	0.006	7	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OCaH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OCaH)(CH3)2(H)	H(CCHH)	109.4664	0.041	11	109.4664	0.002	11	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OCoH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OCoH)(CH3)2(H)	H(CCHH)	109.4698	0.058	20	109.4698	0.003	20	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OCu2)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OCu2)(CH3)2(H)	H(CCHH)	109.4585	0.041	13	109.4585	0.002	13	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(ODyC)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(ODyC)(CH3)2(H)	H(CCHH)	109.5054	0.042	8	109.5054	0.002	8	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OFe2)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OFe2)(CH3)2(H)	H(CCHH)	109.4711	0.047	14	109.4711	0.002	14	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OLiB)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OLiB)(CH3)2(H)	H(CCHH)	109.4717	0.035	9	109.4717	0.001	9	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OMgH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OMgH)(CH3)2(H)	H(CCHH)	109.4797	0.032	8	109.4797	0.001	8	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(ONbSn)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(ONbSn)(CH3)2(H)	H(CCHH)	109.9017	0.698	12	109.9017	0.488	12	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(ONiH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(ONiH)(CH3)2(H)	H(CCHH)	109.4645	0.031	6	109.4645	0.001	6	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OPtB)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OPtB)(CH3)2(H)	H(CCHH)	109.4681	0.058	8	109.4681	0.003	8	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OSiZr)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OSiZr)(CH3)2(H)	H(CCHH)	109.4739	0.038	7	109.4739	0.001	7	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OSn2)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OSn2)(CH3)2(H)	H(CCHH)	109.4480	0.662	26	109.4480	0.439	26	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OSnH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OSnH)(CH3)2(H)	H(CCHH)	109.5771	0.337	11	109.5771	0.113	11	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OThH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OThH)(CH3)2(H)	H(CCHH)	109.4673	0.027	4	109.4673	0.001	4	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OTi2)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OTi2)(CH3)2(H)	H(CCHH)	109.4862	0.065	20	109.4862	0.004	20	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OTiH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OTiH)(CH3)2(H)	H(CCHH)	109.4622	0.029	5	109.4622	0.001	5	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OZn2)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OZn2)(CH3)2(H)	H(CCHH)	109.4498	0.031	9	109.4498	0.001	9	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OZnH)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OZnH)(CH3)2(H)	H(CCHH)	109.4462	0.064	6	109.4462	0.004	6	109.4887	0.072	299	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O[4]-3:C-4:C-4:H-1:	C-4:	C(CO[4]CH)(H)3	C(O[4]In[4,3x5]2)(CH3)2(H)	H(CCHH)	C(CO[4]CH)(H)3	C(O[4]In[4,3x5]2)(CH3)2(H)	H(CCHH)	109.4528	0.044	18	109.4528	0.002	18	109.4605	0.308	30	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	O[4]-3:C-4:C-4:H-1:	C-4:	C(CO[4]CH)(H)3	C(O[4]In[4]2)(CH3)2(H)	H(CCHH)	C(CO[4]CH)(H)3	C(O[4]In[4]2)(CH3)2(H)	H(CCHH)	109.4720	0.900	12	109.4720	0.809	12	109.4605	0.308	30	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	H(CCHH)	110.4294	3.372	48	110.4294	11.373	48	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]C)(CH3)2(H)	H(CCHH)	109.4698	0.033	46	109.4698	0.001	46	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]C)(CH3)2(H)	H(CCHH)	110.5131	3.005	21	110.5131	9.028	21	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2)(CBHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2)(CBHH)(CH3)(H)	H(CCHH)	109.4697	0.044	19	109.4697	0.002	19	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2)(CCHH)(CH3)(H)	H(CCHH)	109.4223	0.022	3	109.4223	0.000	3	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2)(CH3)2(H)	H(CCHH)	109.4701	0.041	21	109.4701	0.002	21	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]C)(CH3)2(H)	H(CCHH)	109.4944	0.243	502	109.4944	0.059	502	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMoP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMoP)(CH3)2(H)	H(CCHH)	109.4802	0.029	4	109.4802	0.001	4	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[5]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[5]C)(CH3)2(H)	H(CCHH)	109.4631	0.058	7	109.4631	0.003	7	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[6]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[6]C)(CH3)2(H)	H(CCHH)	109.4733	0.030	10	109.4733	0.001	10	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PP[5]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PP[5]C)(CH3)2(H)	H(CCHH)	109.5011	0.056	16	109.5011	0.003	16	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSbP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSbP)(CH3)2(H)	H(CCHH)	109.4710	0.047	10	109.4710	0.002	10	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSi[4]C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSi[4]C)(CH3)2(H)	H(CCHH)	110.9697	2.049	12	110.9697	4.200	12	109.6071	1.214	719	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]As[5])(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]As[5])(CH3)2(H)	H(CCHH)	109.4631	0.045	7	109.4631	0.002	7	110.0975	2.681	17	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]P[5])(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]P[5])(CH3)2(H)	H(CCHH)	109.4595	0.032	4	109.4595	0.001	4	110.0975	2.681	17	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]P[3,5]C[5])(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]P[3,5]C[5])(CH3)2(H)	H(CCHH)	111.2630	2.461	6	111.2630	6.058	6	110.0975	2.681	17	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6]-3:C-4:C-4:H-1:	C-4:	C(CP[6]CH)(H)3	C(P[6]Se[6]2)(CH3)2(H)	H(CCHH)	C(CP[6]CH)(H)3	C(P[6]Se[6]2)(CH3)2(H)	H(CCHH)	109.4642	0.038	4	109.4642	0.001	4	109.4642	0.001	4	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[5]O)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5]O)(CH3)2(H)	H(CCHH)	109.4645	0.123	6	109.4645	0.015	6	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[5a]O)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5a]O)(CH3)2(H)	H(CCHH)	109.4650	0.050	5	109.4650	0.003	5	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]B)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]B)(CH3)2(H)	H(CCHH)	109.4485	0.041	15	109.4485	0.002	15	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]Ni)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]Ni)(CH3)2(H)	H(CCHH)	109.4683	0.021	3	109.4683	0.000	3	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]O)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]O)(CH3)2(H)	H(CCHH)	109.4522	0.036	5	109.4522	0.001	5	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]Ru)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]Ru)(CH3)2(H)	H(CCHH)	109.4685	0.103	24	109.4685	0.011	24	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SCoC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SCoC)(CH3)2(H)	H(CCHH)	109.4798	0.037	14	109.4798	0.001	14	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SCuC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SCuC)(CH3)2(H)	H(CCHH)	110.2073	1.392	19	110.2073	1.938	19	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SFe2)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SFe2)(CH3)2(H)	H(CCHH)	109.4746	0.487	10	109.4746	0.237	10	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SIr2)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SIr2)(CH3)2(H)	H(CCHH)	109.4977	0.255	44	109.4977	0.065	44	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SMnPt)(CCCH)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(SMnPt)(CCCH)(CH3)(H)	H(CCHH)	109.4127	0.243	3	109.4127	0.059	3	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SMo2)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SMo2)(CH3)2(H)	H(CCHH)	109.4716	0.050	20	109.4716	0.002	20	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SMoC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SMoC)(CH3)2(H)	H(CCHH)	109.4732	0.039	18	109.4732	0.001	18	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SN[5]N)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SN[5]N)(CH3)2(H)	H(CCHH)	109.4806	0.025	5	109.4806	0.001	5	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SNi2)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SNi2)(CH3)2(H)	H(CCHH)	109.4766	0.039	11	109.4766	0.002	11	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SPd2)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SPd2)(CH3)2(H)	H(CCHH)	109.4684	0.058	9	109.4684	0.003	9	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SPdC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SPdC)(CH3)2(H)	H(CCHH)	109.4716	0.056	36	109.4716	0.003	36	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SPtC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SPtC)(CH3)2(H)	H(CCHH)	109.4907	0.065	9	109.4907	0.004	9	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SReC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SReC)(CH3)2(H)	H(CCHH)	109.4540	0.049	5	109.4540	0.002	5	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SRh2)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SRh2)(CH3)2(H)	H(CCHH)	109.4425	0.179	31	109.4425	0.032	31	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SRu2)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SRu2)(CH3)2(H)	H(CCHH)	109.4586	0.060	40	109.4586	0.004	40	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SSnC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SSnC)(CH3)2(H)	H(CCHH)	109.4715	0.018	4	109.4715	0.000	4	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(STaC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(STaC)(CH3)2(H)	H(CCHH)	109.4567	0.048	9	109.4567	0.002	9	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(STeC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(STeC)(CH3)2(H)	H(CCHH)	109.4787	0.035	15	109.4787	0.001	15	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(STiC)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(STiC)(CH3)2(H)	H(CCHH)	109.4992	0.034	6	109.4992	0.001	6	109.5082	0.141	366	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S[3]-3:C-4:C-4:H-1:	C-4:	C(CS[3]CH)(H)3	C(S[3]Nb[3,3]S[3])(CH3)2(H)	H(CCHH)	C(CS[3]CH)(H)3	C(S[3]Nb[3,3]S[3])(CH3)2(H)	H(CCHH)	109.4297	0.068	13	109.4297	0.005	13	109.4297	0.005	13	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S[5]-3:C-4:C-4:H-1:	C-4:	C(CS[5]CH)(H)3	C(S[5]C[5,6a]B[5])(CH3)2(H)	H(CCHH)	C(CS[5]CH)(H)3	C(S[5]C[5,6a]B[5])(CH3)2(H)	H(CCHH)	109.4747	0.048	3	109.4747	0.002	3	109.4703	0.003	49	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S[5]-3:C-4:C-4:H-1:	C-4:	C(CS[5]CH)(H)3	C(S[5]In[5,5]C[5])(CH3)2(H)	H(CCHH)	C(CS[5]CH)(H)3	C(S[5]In[5,5]C[5])(CH3)2(H)	H(CCHH)	109.4639	0.059	27	109.4639	0.003	27	109.4703	0.003	49	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S[5]-3:C-4:C-4:H-1:	C-4:	C(CS[5]CH)(H)3	C(S[5]Nb[5,5]C[5])(CH3)2(H)	H(CCHH)	C(CS[5]CH)(H)3	C(S[5]Nb[5,5]C[5])(CH3)2(H)	H(CCHH)	109.4788	0.042	11	109.4788	0.002	11	109.4703	0.003	49	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S[5]-3:C-4:C-4:H-1:	C-4:	C(CS[5]CH)(H)3	C(S[5]Nb[5]C[5])(CH3)2(H)	H(CCHH)	C(CS[5]CH)(H)3	C(S[5]Nb[5]C[5])(CH3)2(H)	H(CCHH)	109.4786	0.040	8	109.4786	0.002	8	109.4703	0.003	49	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	S[6]-3:C-4:C-4:H-1:	C-4:	C(CS[6]CH)(H)3	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	H(CCHH)	C(CS[6]CH)(H)3	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	H(CCHH)	109.4730	0.015	3	109.4730	0.000	3	109.4730	0.000	3	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:C-4:H-1:	C-4:	C(CSeCH)(H)3	C(SeFe2)(CCHH)(CH3)(H)	H(CCHH)	C(CSeCH)(H)3	C(SeFe2)(CCHH)(CH3)(H)	H(CCHH)	109.4816	0.054	5	109.4816	0.003	5	109.4815	0.033	11	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:C-4:H-1:	C-4:	C(CSeCH)(H)3	C(SeFe2)(CH3)2(H)	H(CCHH)	C(CSeCH)(H)3	C(SeFe2)(CH3)2(H)	H(CCHH)	109.4813	0.253	6	109.4813	0.064	6	109.4815	0.033	11	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCC)(CH3)2(H)	H(CCHH)	109.4809	0.038	31	109.4809	0.001	31	109.4758	0.002	37	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]Si[5])(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]Si[5])(CH3)2(H)	H(CCHH)	109.4493	0.045	6	109.4493	0.002	6	109.4758	0.002	37	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:I-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)2(I)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	H(CCHI)	C(CC[6a]CH)(H)2(I)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	H(CCHI)	108.8560	0.057	2	108.8560	0.003	2	108.8560	0.003	2	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:O-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)2(O)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	C(CN[5]CH)(H)2(O)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	109.0725	0.021	2	109.0725	0.000	2	109.0725	0.000	2	109.5305	0.477	73743	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	H(CBrCH)	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	H(CBrCH)	109.4285	0.015	2	109.4285	0.000	2	109.1368	0.034	12	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	H(CBrCH)	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	H(CBrCH)	109.1031	0.145	8	109.1031	0.021	8	109.1368	0.034	12	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:Br-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	H(CBrCH)	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	H(CBrCH)	108.9795	0.018	2	108.9795	0.000	2	109.1368	0.034	12	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:Cl-1:Cl-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(Cl)2(H)	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	H(CCl2C)	C(CC[6a]CO)(Cl)2(H)	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	H(CCl2C)	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:F-1:F-1:H-1:	C[5a]-3:C-4:C-4:O-2:	C-4:	C(CC[5a]CO)(F)2(H)	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	H(CCFF)	C(CC[5a]CO)(F)2(H)	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	H(CCFF)	109.4290	0.000	1	109.4290	0.000	1	109.6835	0.130	2	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:F-1:F-1:H-1:	C[5a]-3:C-4:C-4:O-2:	C-4:	C(CC[5a]CO)(F)2(H)	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	H(CCFF)	C(CC[5a]CO)(F)2(H)	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	H(CCFF)	109.9380	0.000	1	109.9380	0.000	1	109.6835	0.130	2	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:F-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(F)(H)2	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	H(CCFH)	C(CC[6a]CO)(F)(H)2	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	H(CCFH)	109.7623	0.056	3	109.7623	0.003	3	109.7623	0.003	3	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]N)(CCHH)(CH3)(CC)	H(CCHH)	C(CC3)(H)3	C(CC[6a]N)(CCHH)(CH3)(CC)	H(CCHH)	109.4785	0.005	2	109.4785	0.000	2	109.4738	0.000	5	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]O)(CH3)2(CC)	H(CCHH)	C(CC3)(H)3	C(CC[6a]O)(CH3)2(CC)	H(CCHH)	109.4707	0.011	3	109.4707	0.000	3	109.4738	0.000	5	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]C)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]C)(CH3)2(OH)	H(CCHH)	110.3457	1.348	6	110.3457	1.816	6	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]O)(CCHH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]O)(CCHH)(CH3)(OH)	H(CCHH)	109.4814	0.036	5	109.4814	0.001	5	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]C)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]C)(CH3)2(OH)	H(CCHH)	109.4720	0.023	5	109.4720	0.001	5	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]O)(CCCH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]O)(CCCH)(CH3)(OH)	H(CCHH)	109.4830	0.016	3	109.4830	0.000	3	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCuC)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CCuC)(CH3)2(OH)	H(CCHH)	109.4728	0.044	9	109.4728	0.002	9	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[5]O)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CN[5]O)(CH3)2(OC)	H(CCHH)	109.4760	0.027	8	109.4760	0.001	8	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CSeC)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CSeC)(CH3)2(OH)	H(CCHH)	109.4741	0.056	15	109.4741	0.003	15	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CSiC)(CH3)2(OGe)	H(CCHH)	C(CCCO)(H)3	C(CSiC)(CH3)2(OGe)	H(CCHH)	109.4628	0.037	5	109.4628	0.001	5	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CSiC)(CH3)2(OSi)	H(CCHH)	C(CCCO)(H)3	C(CSiC)(CH3)2(OSi)	H(CCHH)	109.5030	0.056	6	109.5030	0.003	6	109.5612	0.217	62	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CC[6a]N)(CH3)2(SC)	H(CCHH)	C(CCCS)(H)3	C(CC[6a]N)(CH3)2(SC)	H(CCHH)	109.4772	0.020	4	109.4772	0.000	4	109.4772	0.000	4	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:P-4:O-2:	C-4:	C(CCOP)(H)3	C(CFeO)(CH3)(PC3)(OC)	H(CCHH)	C(CCOP)(H)3	C(CFeO)(CH3)(PC3)(OC)	H(CCHH)	109.4842	0.046	13	109.4842	0.002	13	109.4842	0.002	13	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:O-2:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[4]2)(CH3)2(OSi)	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[4]2)(CH3)2(OSi)	H(CCHH)	109.9731	1.114	19	109.9731	1.241	19	109.9731	1.241	19	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,5]O[5])(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,5]O[5])(CH3)2(OH)	H(CCHH)	109.4636	0.053	5	109.4636	0.003	5	109.4661	0.001	74	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	H(CCHH)	109.4777	0.044	3	109.4777	0.002	3	109.4661	0.001	74	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	H(CCHH)	109.4456	0.035	5	109.4456	0.001	5	109.4661	0.001	74	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2)(CCHH)(CH3)(OH)	H(CCHH)	109.4710	0.006	2	109.4710	0.000	2	109.4661	0.001	74	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	H(CCHH)	109.4540	0.014	3	109.4540	0.000	3	109.4661	0.001	74	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(CH3)2(OP)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(CH3)2(OP)	H(CCHH)	109.4679	0.035	56	109.4679	0.001	56	109.4661	0.001	74	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:S-2:	C-4:	C(CC[5]CS)(H)3	C(C[5]N[5]2)(CH3)2(SS)	H(CCHH)	C(CC[5]CS)(H)3	C(C[5]N[5]2)(CH3)2(SS)	H(CCHH)	109.5822	0.216	6	109.5822	0.047	6	109.5822	0.047	6	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:N-2:	C-4:	C(CC[5a]CN)(H)3	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	H(CCHH)	C(CC[5a]CN)(H)3	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	H(CCHH)	109.4803	0.026	3	109.4803	0.001	3	109.4596	0.001	8	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:N-2:	C-4:	C(CC[5a]CN)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(NN)	H(CCHH)	C(CC[5a]CN)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(NN)	H(CCHH)	109.4472	0.037	5	109.4472	0.001	5	109.4596	0.001	8	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:O-2:	C-4:	C(CC[5a]CO)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(OH)	H(CCHH)	C(CC[5a]CO)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(OH)	H(CCHH)	109.4661	0.029	10	109.4661	0.001	10	109.4670	0.001	13	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:O-2:	C-4:	C(CC[5a]CO)(H)3	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	H(CCHH)	C(CC[5a]CO)(H)3	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	H(CCHH)	109.4700	0.029	3	109.4700	0.001	3	109.4670	0.001	13	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]2)(CHHO)(CH3)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]2)(CHHO)(CH3)(OH)	H(CCHH)	109.4757	0.034	3	109.4757	0.001	3	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	H(CCHH)	109.4787	0.050	9	109.4787	0.003	9	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	H(CCHH)	109.4735	0.019	2	109.4735	0.000	2	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	H(CCHH)	109.4650	0.008	3	109.4650	0.000	3	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(OIr)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(OIr)	H(CCHH)	109.4726	0.092	150	109.4726	0.008	150	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ONi)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ONi)	H(CCHH)	109.4751	0.050	9	109.4751	0.002	9	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(OP)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(OP)	H(CCHH)	109.4558	0.056	20	109.4558	0.003	20	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ORh)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ORh)	H(CCHH)	110.4513	1.784	18	110.4513	3.183	18	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ORu)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ORu)	H(CCHH)	109.4710	0.036	7	109.4710	0.001	7	109.5511	0.324	221	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	H(CCHH)	109.4990	0.012	3	109.4990	0.000	3	109.4892	0.019	15	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CN)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CN)	H(CCHH)	109.4867	0.156	12	109.4867	0.024	12	109.4892	0.019	15	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-2:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(HCo)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(HCo)	H(CCHH)	109.4810	0.037	4	109.4810	0.001	4	109.4939	0.003	13	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-2:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(HY)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(HY)	H(CCHH)	109.4997	0.065	9	109.4997	0.004	9	109.4939	0.003	13	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-2:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	H(CCHH)	109.4511	0.029	8	109.4511	0.001	8	109.4665	0.002	56	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-2:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	H(CCHH)	109.4420	0.049	2	109.4420	0.002	2	109.4665	0.002	56	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-2:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NC)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NC)	H(CCHH)	109.4716	0.049	40	109.4716	0.002	40	109.4665	0.002	56	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-2:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NN)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NN)	H(CCHH)	109.4612	0.031	6	109.4612	0.001	6	109.4665	0.002	56	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	H(CCHH)	109.4823	0.038	6	109.4823	0.001	6	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	H(CCHH)	109.4827	0.065	3	109.4827	0.004	3	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	H(CCHH)	109.4601	0.050	10	109.4601	0.003	10	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	H(CCHH)	110.4925	2.553	8	110.4925	6.519	8	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	H(CCHH)	109.4735	0.006	2	109.4735	0.000	2	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	H(CCHH)	109.4960	0.036	3	109.4960	0.001	3	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	H(CCHH)	109.4480	0.031	2	109.4480	0.001	2	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	H(CCHH)	109.4758	0.023	5	109.4758	0.001	5	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	H(CCHH)	109.4813	0.035	7	109.4813	0.001	7	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	H(CCHH)	109.5099	0.125	18	109.5099	0.016	18	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	H(CCHH)	109.4710	0.000	1	109.4710	0.000	1	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	H(CCHH)	109.4774	0.039	7	109.4774	0.002	7	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	H(CCHH)	109.4800	0.024	3	109.4800	0.001	3	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	H(CCHH)	109.4758	0.011	6	109.4758	0.000	6	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	H(CCHH)	109.5360	0.335	5	109.5360	0.113	5	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	H(CCHH)	110.0664	0.536	7	110.0664	0.287	7	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	H(CCHH)	110.8377	0.307	3	110.8377	0.094	3	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	H(CCHH)	109.4700	0.013	2	109.4700	0.000	2	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OC)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OC)	H(CCHH)	109.4810	0.042	14	109.4810	0.002	14	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OCr)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OCr)	H(CCHH)	109.4643	0.053	15	109.4643	0.003	15	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OCu)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OCu)	H(CCHH)	109.4893	0.041	6	109.4893	0.002	6	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OFe)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OFe)	H(CCHH)	109.4553	0.042	7	109.4553	0.002	7	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OH)	H(CCHH)	109.4408	0.879	109	109.4408	0.773	109	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OO)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OO)	H(CCHH)	110.1007	1.080	18	110.1007	1.167	18	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OSi)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OSi)	H(CCHH)	109.5044	0.024	5	109.5044	0.001	5	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	H(CCHH)	110.5183	0.603	3	110.5183	0.364	3	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	H(CCHH)	109.4500	0.064	6	109.4500	0.004	6	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	H(CCHH)	109.4730	0.024	3	109.4730	0.001	3	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	H(CCHH)	109.4760	0.024	2	109.4760	0.001	2	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	H(CCHH)	109.4636	0.016	5	109.4636	0.000	5	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	H(CCHH)	109.4888	0.024	5	109.4888	0.001	5	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CRuCC)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CRuCC)(CH3)(OH)	H(CCHH)	109.4486	0.033	5	109.4486	0.001	5	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	H(CCHH)	109.4860	0.024	2	109.4860	0.001	2	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	H(CCHH)	109.4655	0.028	32	109.4655	0.001	32	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(OH)	H(CCHH)	109.4680	0.000	1	109.4680	0.000	1	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	H(CCHH)	108.5603	0.804	3	108.5603	0.646	3	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(H)3	C(C[6a]C[6a]O[6a])(CH3)2(OH)	H(CCHH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]O[6a])(CH3)2(OH)	H(CCHH)	109.4688	0.038	5	109.4688	0.001	5	109.5466	0.529	344	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:S-2:	C-4:	C(CC[6a]CS)(H)3	C(C[6a]C[6a]2)(CH3)2(SC)	H(CCHH)	C(CC[6a]CS)(H)3	C(C[6a]C[6a]2)(CH3)2(SC)	H(CCHH)	109.4714	0.026	5	109.4714	0.001	5	109.4714	0.001	5	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:P-4:N-2:	C-4:	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	H(CCHH)	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	H(CCHH)	110.3117	0.707	3	110.3117	0.500	3	110.3117	0.500	3	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:P-4:O-2:	C-4:	C(CC[6a]OP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	H(CCHH)	C(CC[6a]OP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	H(CCHH)	109.4744	0.019	5	109.4744	0.000	5	109.4744	0.000	5	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C-2:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	H(CCHH)	110.0159	1.145	14	110.0159	1.312	14	110.0159	1.312	14	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-2:	C-4:	C(CC[6a]C[6]O)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	H(CCHH)	C(CC[6a]C[6]O)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(OH)	H(CCHH)	109.4647	0.045	3	109.4647	0.002	3	109.4647	0.002	3	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:O-2:	C-4:	C(CC[6a]OP)(H)3	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	H(CCHH)	C(CC[6a]OP)(H)3	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	H(CCHH)	109.4950	0.039	3	109.4950	0.002	3	109.4950	0.002	3	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:P[6]-4:C-4:O-2:	C-4:	C(CC[6a]P[6]O)(H)3	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	H(CCHH)	C(CC[6a]P[6]O)(H)3	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	H(CCHH)	109.4467	0.050	3	109.4467	0.003	3	109.4467	0.003	3	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-2:	C-4:	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CN)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CN)	H(CCHH)	109.4525	0.036	6	109.4525	0.001	6	109.4525	0.001	6	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-2:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)2(CH)	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)2(CH)	H(CCHH)	109.4870	0.032	5	109.4870	0.001	5	109.4870	0.001	5	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:O-2:	C-4:	C(CN[5]CO)(H)3	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	H(CCHH)	C(CN[5]CO)(H)3	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	H(CCHH)	109.4133	0.072	4	109.4133	0.005	4	109.4485	0.003	11	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:O-2:	C-4:	C(CN[5]CO)(H)3	C(N[5]C[5]N[5])(CH3)2(OMo)	H(CCHH)	C(CN[5]CO)(H)3	C(N[5]C[5]N[5])(CH3)2(OMo)	H(CCHH)	109.4686	0.034	7	109.4686	0.001	7	109.4485	0.003	11	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-2:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6,6a]2)(CH3)2(CN)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6,6a]2)(CH3)2(CN)	H(CCHH)	104.7662	1.682	6	104.7662	2.830	6	107.6999	6.452	16	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-2:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CCHN)(CH3)(CC)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CCHN)(CH3)(CC)	H(CCHH)	109.4560	0.022	5	109.4560	0.000	5	107.6999	6.452	16	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:2:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-2:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CH3)2(CC)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CH3)2(CC)	H(CCHH)	109.4644	0.024	5	109.4644	0.001	5	107.6999	6.452	16	109.5104	0.499	945	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]C)(CIrHH)(CH3)(CCC)	H(CCHH)	C(CC3)(H)3	C(CC[6a]C)(CIrHH)(CH3)(CCC)	H(CCHH)	109.4548	0.056	5	109.4548	0.003	5	109.4680	0.002	25	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]O)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]O)(CH3)2(COO)	H(CCHH)	109.4713	0.035	20	109.4713	0.001	20	109.4680	0.002	25	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]N)(CH3)2(NHO)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]N)(CH3)2(NHO)	H(CCHH)	109.5058	0.057	5	109.5058	0.003	5	109.4793	0.002	27	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]O)(CH3)2(NHO)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]O)(CH3)2(NHO)	H(CCHH)	109.4728	0.024	5	109.4728	0.001	5	109.4793	0.002	27	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CN[5]O)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CN[5]O)(CH3)2(NCH)	H(CCHH)	109.4735	0.041	17	109.4735	0.002	17	109.4793	0.002	27	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:C-3:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	H(CCHH)	109.5065	0.036	4	109.5065	0.001	4	109.5065	0.001	4	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	H(CCHH)	109.4615	0.020	6	109.4615	0.000	6	109.4711	0.001	21	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	H(CCHH)	109.4730	0.029	5	109.4730	0.001	5	109.4711	0.001	21	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CH3)2(CCO)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CH3)2(CCO)	H(CCHH)	109.4878	0.022	5	109.4878	0.000	5	109.4711	0.001	21	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]2)(CH3)2(CNO)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]2)(CH3)2(CNO)	H(CCHH)	109.4640	0.021	5	109.4640	0.000	5	109.4711	0.001	21	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)2(CCH)	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)2(CCH)	H(CCHH)	109.4790	0.048	5	109.4790	0.002	5	109.4635	0.001	61	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	H(CCHH)	109.4543	0.026	6	109.4543	0.001	6	109.4635	0.001	61	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]2)(CH3)2(CCO)	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]2)(CH3)2(CCO)	H(CCHH)	109.4732	0.039	5	109.4732	0.002	5	109.4635	0.001	61	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	H(CCHH)	109.4613	0.042	35	109.4613	0.002	35	109.4635	0.001	61	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	H(CCHH)	109.4543	0.036	3	109.4543	0.001	3	109.4635	0.001	61	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	H(CCHH)	109.4681	0.032	7	109.4681	0.001	7	109.4635	0.001	61	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:N-3:	C-4:	C(CC[5a]CN)(H)3	C(C[5a]N[5a]2)(CH3)2(NCH)	H(CCHH)	C(CC[5a]CN)(H)3	C(C[5a]N[5a]2)(CH3)2(NCH)	H(CCHH)	109.4762	0.032	6	109.4762	0.001	6	109.4724	0.001	10	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:N-3:	C-4:	C(CC[5a]CN)(H)3	C(C[5a]N[5a]2)(CH3)2(NHN)	H(CCHH)	C(CC[5a]CN)(H)3	C(C[5a]N[5a]2)(CH3)2(NHN)	H(CCHH)	109.4668	0.031	4	109.4668	0.001	4	109.4724	0.001	10	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	H(CCHH)	109.4743	0.024	3	109.4743	0.001	3	109.4890	2.049	12	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(CHH)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(CHH)	H(CCHH)	109.4997	2.123	6	109.4997	4.508	6	109.4890	2.049	12	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(COO)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(COO)	H(CCHH)	109.4823	0.014	3	109.4823	0.000	3	109.4890	2.049	12	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:N-3:	C-4:	C(CC[6]CN)(H)3	C(C[6]N[6]O[6])(CH3)2(NCH)	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]N[6]O[6])(CH3)2(NCH)	H(CCHH)	109.4600	0.042	4	109.4600	0.002	4	109.4600	0.002	4	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	H(CCHH)	109.7961	1.465	11	109.7961	2.145	11	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(COO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(COO)	H(CCHH)	109.4610	0.011	3	109.4610	0.000	3	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)2(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)2(CCH)	H(CCHH)	109.4692	0.015	5	109.4692	0.000	5	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6,6a])(CH3)2(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6,6a])(CH3)2(CCH)	H(CCHH)	109.6684	0.888	16	109.6684	0.788	16	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)2(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)2(CCH)	H(CCHH)	109.4636	0.033	19	109.4636	0.001	19	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	H(CCHH)	109.4618	0.037	6	109.4618	0.001	6	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	H(CCHH)	109.4786	0.018	7	109.4786	0.000	7	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	H(CCHH)	109.4900	0.010	2	109.4900	0.000	2	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	H(CCHH)	109.4683	0.023	3	109.4683	0.001	3	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2H)(CH3)(CHN)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2H)(CH3)(CHN)	H(CCHH)	109.4723	0.012	3	109.4723	0.000	3	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	H(CCHH)	109.4810	0.015	3	109.4810	0.000	3	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	H(CCHH)	109.4608	0.015	5	109.4608	0.000	5	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	H(CCHH)	109.4893	0.027	3	109.4893	0.001	3	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCH)	H(CCHH)	109.4808	0.127	6	109.4808	0.016	6	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCN)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCN)	H(CCHH)	110.6733	1.585	12	110.6733	2.511	12	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCO)	H(CCHH)	110.1148	1.545	83	110.1148	2.388	83	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CHH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CHH)	H(CCHH)	108.0498	5.081	36	108.0498	25.816	36	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CHW)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CHW)	H(CCHH)	109.4766	0.045	18	109.4766	0.002	18	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CNO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CNO)	H(CCHH)	109.4780	0.016	5	109.4780	0.000	5	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(COO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(COO)	H(CCHH)	110.4954	3.377	56	110.4954	11.404	56	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	H(CCHH)	109.4520	0.047	4	109.4520	0.002	4	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	H(CCHH)	109.4746	0.046	5	109.4746	0.002	5	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(CHH)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(CHH)	H(CCHH)	108.4662	6.121	6	108.4662	37.465	6	109.7070	6.799	317	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	H(CCHH)	109.6437	3.051	3	109.6437	9.310	3	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	H(CCHH)	109.4510	0.040	2	109.4510	0.002	2	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	H(CCHH)	109.4750	0.010	2	109.4750	0.000	2	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	H(CCHH)	109.4868	0.027	5	109.4868	0.001	5	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	H(CCHH)	110.8913	1.653	3	110.8913	2.733	3	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	H(CCHH)	109.4660	0.039	11	109.4660	0.001	11	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	H(CCHH)	109.4810	0.013	2	109.4810	0.000	2	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NCH)	H(CCHH)	109.5458	1.034	66	109.5458	1.070	66	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NHS)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NHS)	H(CCHH)	109.4390	0.030	3	109.4390	0.001	3	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NOO)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NOO)	H(CCHH)	107.5905	4.249	6	107.5905	18.053	6	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	H(CCHH)	109.4795	0.037	2	109.4795	0.001	2	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	H(CCHH)	109.4540	0.020	3	109.4540	0.000	3	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	H(CCHH)	109.4635	0.043	6	109.4635	0.002	6	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	H(CCHH)	109.4614	0.034	31	109.4614	0.001	31	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	H(CCHH)	109.4849	0.041	7	109.4849	0.002	7	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]N[6a]2)(CH3)2(NCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]N[6a]2)(CH3)2(NCH)	H(CCHH)	109.4762	0.030	34	109.4762	0.001	34	109.4616	1.144	186	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:C-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	H(CCHH)	109.6710	1.441	3	109.6710	2.075	3	109.6710	2.075	3	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:P-4:N-3:	C-4:	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	H(CCHH)	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	H(CCHH)	109.4347	0.079	3	109.4347	0.006	3	109.4347	0.006	3	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[3]-4:C-4:C-3:	C-4:	C(CC[6a]C[3]C)(H)3	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	H(CCHH)	C(CC[6a]C[3]C)(H)3	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	H(CCHH)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C-4:N-3:	C-4:	C(CC[6a]C[5]N)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	H(CCHH)	C(CC[6a]C[5]N)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	H(CCHH)	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-3:	C-4:	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	H(CCHH)	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)(CCH)	H(CCHH)	109.4680	0.042	5	109.4680	0.002	5	109.4680	0.002	5	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:C-3:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	H(CCHH)	109.4720	0.015	3	109.4720	0.000	3	109.4720	0.000	3	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:N-3:	C-4:	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	H(CCHH)	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	H(CCHH)	109.4730	0.015	3	109.4730	0.000	3	109.4765	0.000	6	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:N-3:	C-4:	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	H(CCHH)	C(CC[6a]NP)(H)3	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	H(CCHH)	109.4800	0.020	3	109.4800	0.000	3	109.4765	0.000	6	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NAlN)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NAlN)(CH3)2(CCN)	H(CCHH)	109.5018	0.066	4	109.5018	0.004	4	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]Al)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Al)(CH3)2(CCN)	H(CCHH)	109.4627	0.048	27	109.4627	0.002	27	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]C)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]C)(CH3)2(CNO)	H(CCHH)	109.4723	0.025	6	109.4723	0.001	6	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)(CNO)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)(CNO)	H(CCHH)	109.4663	0.034	10	109.4663	0.001	10	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CCO)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CCO)	H(CCHH)	109.4751	0.052	8	109.4751	0.003	8	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CNO)	H(CCHH)	109.4862	0.053	5	109.4862	0.003	5	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]Pd)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Pd)(CH3)2(CCN)	H(CCHH)	109.4743	0.038	6	109.4743	0.001	6	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]S)(CH3)2(CCC)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]S)(CH3)2(CCC)	H(CCHH)	109.4724	0.015	5	109.4724	0.000	5	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	H(CCHH)	109.4507	0.042	3	109.4507	0.002	3	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCoC)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NCoC)(CH3)2(CNO)	H(CCHH)	109.4716	0.047	17	109.4716	0.002	17	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCrC)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NCrC)(CH3)2(CNO)	H(CCHH)	109.4651	0.108	12	109.4651	0.012	12	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCuC)(CH3)2(COO)	H(CCHH)	C(CCCN)(H)3	C(NCuC)(CH3)2(COO)	H(CCHH)	110.3593	0.813	3	110.3593	0.660	3	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NFeC)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NFeC)(CH3)2(CNO)	H(CCHH)	109.4644	0.048	18	109.4644	0.002	18	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NMnC)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NMnC)(CH3)2(CNO)	H(CCHH)	109.4939	0.059	8	109.4939	0.003	8	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NPdC)(CH3)2(CHN)	H(CCHH)	C(CCCN)(H)3	C(NPdC)(CH3)2(CHN)	H(CCHH)	109.4896	0.056	13	109.4896	0.003	13	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NTcC)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NTcC)(CH3)2(CCN)	H(CCHH)	110.8377	2.440	19	110.8377	5.955	19	109.6467	0.869	164	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-3:	C-4:	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)2(CNO)	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)2(CNO)	H(CCHH)	109.4762	0.019	10	109.4762	0.000	10	109.4762	0.000	10	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-3:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	H(CCHH)	110.1242	2.272	12	110.1242	5.161	12	109.9925	4.129	15	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-3:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	H(CCHH)	109.4660	0.010	3	109.4660	0.000	3	109.9925	4.129	15	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-3:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	H(CCHH)	109.4647	0.050	3	109.4647	0.003	3	109.4754	0.002	16	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-3:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	H(CCHH)	109.4778	0.049	13	109.4778	0.002	13	109.4754	0.002	16	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C-4:C-4:C-3:	C-4:	C(CN[6,6]CC)(H)3	C(N[6,6]C[6,6]2)(CH3)2(CNO)	H(CCHH)	C(CN[6,6]CC)(H)3	C(N[6,6]C[6,6]2)(CH3)2(CNO)	H(CCHH)	109.4707	0.005	4	109.4707	0.000	4	109.4707	0.000	4	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-4:C-3:	C-4:	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	H(CCHH)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	H(CCHH)	109.4545	0.040	4	109.4545	0.002	4	109.4545	0.002	4	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OAl2)(CH3)2(CCN)	H(CCHH)	C(CCCO)(H)3	C(OAl2)(CH3)2(CCN)	H(CCHH)	109.4688	0.033	4	109.4688	0.001	4	109.4804	0.001	30	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OCo2)(CH3)2(CCO)	H(CCHH)	C(CCCO)(H)3	C(OCo2)(CH3)2(CCO)	H(CCHH)	109.4842	0.042	9	109.4842	0.002	9	109.4804	0.001	30	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OFeC)(CH3)2(COO)	H(CCHH)	C(CCCO)(H)3	C(OFeC)(CH3)2(COO)	H(CCHH)	109.4988	0.030	5	109.4988	0.001	5	109.4804	0.001	30	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OLiC)(CH3)2(CCO)	H(CCHH)	C(CCCO)(H)3	C(OLiC)(CH3)2(CCO)	H(CCHH)	109.4755	0.005	2	109.4755	0.000	2	109.4804	0.001	30	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(ONiH)(CH3)2(COO)	H(CCHH)	C(CCCO)(H)3	C(ONiH)(CH3)2(COO)	H(CCHH)	109.4710	0.027	5	109.4710	0.001	5	109.4804	0.001	30	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-3:	C-4:	C(CCCO)(H)3	C(OPdH)(CH3)2(CCN)	H(CCHH)	C(CCCO)(H)3	C(OPdH)(CH3)2(CCN)	H(CCHH)	109.4756	0.022	5	109.4756	0.001	5	109.4804	0.001	30	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SCo2)(CH3)2(CCN)	H(CCHH)	C(CCCS)(H)3	C(SCo2)(CH3)2(CCN)	H(CCHH)	109.4767	0.040	9	109.4767	0.002	9	109.4723	0.001	12	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SFeO)(CH3)2(CCN)	H(CCHH)	C(CCCS)(H)3	C(SFeO)(CH3)2(CCN)	H(CCHH)	109.4593	0.031	3	109.4593	0.001	3	109.4723	0.001	12	109.5881	2.758	944	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:Br-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(Br)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	H(CBrCH)	C(CN[5a]CC)(Br)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	H(CBrCH)	108.7890	0.010	2	108.7890	0.000	2	108.7890	0.000	2	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(CH3)2	H(CClCH)	C(CC[6a]CC)(Cl)(H)2	C(C[6a]C[6a]2)(CClHH)(CH3)2	H(CClCH)	109.0165	0.030	2	109.0165	0.001	2	108.9955	0.001	4	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(Cl)(H)2	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	H(CClCH)	C(CC[6a]CC)(Cl)(H)2	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	H(CClCH)	108.9745	0.005	2	108.9745	0.000	2	108.9955	0.001	4	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:Cl-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(Cl)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	H(CClCH)	C(CN[5a]CC)(Cl)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	H(CClCH)	108.9420	0.007	2	108.9420	0.000	2	108.9420	0.000	2	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:F-1:F-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(F)2(H)	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	H(CCFF)	C(CC[5a]CC)(F)2(H)	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	H(CCFF)	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:F-1:F-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(F)2(H)	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	H(CCFF)	C(CC[6a]CC)(F)2(H)	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	H(CCFF)	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BC[5]S)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BC[5]S)(CH3)3	H(CCHH)	109.4652	0.012	4	109.4652	0.000	4	109.4752	0.001	45	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BC[5]Se)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BC[5]Se)(CH3)3	H(CCHH)	109.4722	0.032	6	109.4722	0.001	6	109.4752	0.001	45	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BC[6a]N)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BC[6a]N)(CH3)3	H(CCHH)	109.4730	0.044	7	109.4730	0.002	7	109.4752	0.001	45	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BClB)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BClB)(CH3)3	H(CCHH)	109.4855	0.043	6	109.4855	0.002	6	109.4752	0.001	45	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BCrMn)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BCrMn)(CH3)3	H(CCHH)	109.4765	0.037	6	109.4765	0.001	6	109.4752	0.001	45	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BCuMn)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BCuMn)(CH3)3	H(CCHH)	109.4669	0.037	9	109.4669	0.001	9	109.4752	0.001	45	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BN[6]Mn)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BN[6]Mn)(CH3)3	H(CCHH)	109.4864	0.034	7	109.4864	0.001	7	109.4752	0.001	45	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-3:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]N[4]2)(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]N[4]2)(CH3)3	H(CCHH)	109.4804	0.034	5	109.4804	0.001	5	109.4804	0.001	5	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[5a]-3:C-4:C-4:C-4:	C-4:	C(CB[5a]CC)(H)3	C(B[5a]N[5a]2)(CH3)3	H(CCHH)	C(CB[5a]CC)(H)3	C(B[5a]N[5a]2)(CH3)3	H(CCHH)	109.4635	0.045	4	109.4635	0.002	4	109.4635	0.002	4	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[6a]-3:C-4:C-4:C-4:	C-4:	C(CB[6a]CC)(H)3	C(B[6a]C[6a]2)(CH3)3	H(CCHH)	C(CB[6a]CC)(H)3	C(B[6a]C[6a]2)(CH3)3	H(CCHH)	109.4780	0.029	26	109.4780	0.001	26	109.4780	0.001	26	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAgC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAgC)(CH3)3	H(CCHH)	109.4674	0.065	10	109.4674	0.004	10	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAlO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAlO)(CH3)3	H(CCHH)	110.6130	1.619	9	110.6130	2.623	9	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAlP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAlP)(CH3)3	H(CCHH)	109.4600	0.041	6	109.4600	0.002	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAuC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAuC)(CH3)3	H(CCHH)	109.4744	0.051	8	109.4744	0.003	8	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[3]C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[3]C)(CH3)3	H(CCHH)	109.4284	1.167	52	109.4284	1.362	52	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[3]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[3]O)(CH3)3	H(CCHH)	110.6086	1.242	16	110.6086	1.542	16	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[3x3,4,3x5,14x6]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[3x3,4,3x5,14x6]N)(CH3)3	H(CCHH)	109.4686	0.036	43	109.4686	0.001	43	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[4]C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[4]C)(CH3)3	H(CCHH)	109.5004	0.040	8	109.5004	0.002	8	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[4]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[4]H)(CH3)3	H(CCHH)	109.4693	0.042	28	109.4693	0.002	28	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[4]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[4]N)(CH3)3	H(CCHH)	109.4705	0.033	6	109.4705	0.001	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[4]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[4]O)(CH3)3	H(CCHH)	109.4605	0.048	6	109.4605	0.002	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]C)(CH3)3	H(CCHH)	109.6409	1.908	39	109.6409	3.641	39	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]H)(CH3)3	H(CCHH)	109.4625	0.035	57	109.4625	0.001	57	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]I)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]I)(CH3)3	H(CCHH)	109.1492	0.615	5	109.1492	0.379	5	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]N)(CH3)3	H(CCHH)	109.4704	0.039	14	109.4704	0.002	14	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]O)(CCHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[5]O)(CCHO)(CH3)2	H(CCHH)	109.4728	0.026	6	109.4728	0.001	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]O)(CH3)3	H(CCHH)	109.5074	0.224	49	109.5074	0.050	49	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]P[5])(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]P[5])(CH3)3	H(CCHH)	109.4699	0.035	7	109.4699	0.001	7	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]2)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]2)(CH3)3	H(CCHH)	109.4596	0.045	10	109.4596	0.002	10	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]C)(CH3)3	H(CCHH)	110.8220	1.718	18	110.8220	2.951	18	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]C[5])(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]C[5])(CH3)3	H(CCHH)	109.4995	0.048	6	109.4995	0.002	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]O)(CH3)3	H(CCHH)	109.4678	0.048	87	109.4678	0.002	87	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5x3,5x5,20x6]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5x3,5x5,20x6]N)(CH3)3	H(CCHH)	109.4910	0.028	5	109.4910	0.001	5	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]H)(CH3)3	H(CCHH)	109.4718	0.032	39	109.4718	0.001	39	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]I)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]I)(CH3)3	H(CCHH)	110.0718	4.524	18	110.0718	20.470	18	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]O)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6]O)(CCHH)(CH3)2	H(CCHH)	109.4418	0.048	5	109.4418	0.002	5	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]O)(CCHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6]O)(CCHO)(CH3)2	H(CCHH)	109.4800	0.157	5	109.4800	0.025	5	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]O)(CH3)3	H(CCHH)	109.4692	0.025	10	109.4692	0.001	10	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]P[5])(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]P[5])(CH3)3	H(CCHH)	109.4778	0.028	5	109.4778	0.001	5	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]C)(CH3)3	H(CCHH)	109.9542	1.812	69	109.9542	3.284	69	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]C[4])(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]C[4])(CH3)3	H(CCHH)	109.4723	0.007	3	109.4723	0.000	3	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]C[5])(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]C[5])(CH3)3	H(CCHH)	109.4721	0.027	35	109.4721	0.001	35	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]H)(CH3)3	H(CCHH)	109.4860	0.046	8	109.4860	0.002	8	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]N)(CH3)3	H(CCHH)	109.4492	0.572	76	109.4492	0.328	76	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]O)(CH3)3	H(CCHH)	109.6843	0.575	66	109.6843	0.331	66	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CClN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CClN)(CH3)3	H(CCHH)	109.4673	0.042	15	109.4673	0.002	15	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCrH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCrH)(CH3)3	H(CCHH)	109.4497	0.045	6	109.4497	0.002	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCuC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCuC)(CH3)3	H(CCHH)	109.4807	0.031	7	109.4807	0.001	7	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CGe[6]P)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CGe[6]P)(CH3)3	H(CCHH)	109.4634	0.042	7	109.4634	0.002	7	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CIrP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CIrP)(CH3)3	H(CCHH)	109.4658	0.062	28	109.4658	0.004	28	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMgP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMgP)(CH3)3	H(CCHH)	109.4763	0.051	16	109.4763	0.003	16	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMoC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMoC)(CH3)3	H(CCHH)	109.6972	1.709	16	109.6972	2.922	16	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMoH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMoH)(CH3)3	H(CCHH)	109.4840	0.044	11	109.4840	0.002	11	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMoN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMoN)(CH3)3	H(CCHH)	109.4765	0.044	8	109.4765	0.002	8	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[4]S)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[4]S)(CH3)3	H(CCHH)	109.5597	0.849	39	109.5597	0.721	39	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5]N)(CH3)3	H(CCHH)	109.4640	0.050	29	109.4640	0.002	29	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5]O)(CH3)3	H(CCHH)	109.5233	0.527	192	109.5233	0.277	192	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5]S)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5]S)(CH3)3	H(CCHH)	109.4648	0.027	13	109.4648	0.001	13	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5a]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5a]N)(CH3)3	H(CCHH)	109.4777	0.037	6	109.4777	0.001	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5a]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5a]O)(CH3)3	H(CCHH)	109.4676	0.043	53	109.4676	0.002	53	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[6]N)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[6]N)(CH3)3	H(CCHH)	109.4820	0.038	7	109.4820	0.001	7	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[6]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[6]O)(CH3)3	H(CCHH)	110.2169	1.818	14	110.2169	3.307	14	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNiO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNiO)(CH3)3	H(CCHH)	109.4778	0.028	8	109.4778	0.001	8	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CP[5,5]C[6])(CH3)3	H(CCHH)	C(CC3)(H)3	C(CP[5,5]C[6])(CH3)3	H(CCHH)	109.4543	0.040	8	109.4543	0.002	8	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPtC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CPtC)(CH3)3	H(CCHH)	109.4848	0.104	40	109.4848	0.011	40	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CReC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CReC)(CH3)3	H(CCHH)	109.4523	0.070	32	109.4523	0.005	32	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRhC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRhC)(CH3)3	H(CCHH)	109.4743	0.047	6	109.4743	0.002	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRhN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRhN)(CH3)3	H(CCHH)	109.4713	0.035	6	109.4713	0.001	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRuC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRuC)(CH3)3	H(CCHH)	109.4744	0.063	14	109.4744	0.004	14	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSi2)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSi2)(CH3)3	H(CCHH)	109.4826	0.043	12	109.4826	0.002	12	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSiC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSiC)(CH3)3	H(CCHH)	109.4682	0.032	6	109.4682	0.001	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSi[6]O)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSi[6]O)(CH3)3	H(CCHH)	109.4607	0.029	6	109.4607	0.001	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTaN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTaN)(CH3)3	H(CCHH)	109.4642	0.022	11	109.4642	0.000	11	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTiC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTiC)(CH3)3	H(CCHH)	109.3218	1.995	33	109.3218	3.981	33	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTiH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTiH)(CH3)3	H(CCHH)	110.8659	1.827	18	110.8659	3.337	18	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTiP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTiP)(CH3)3	H(CCHH)	109.4870	0.040	6	109.4870	0.002	6	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CZrC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CZrC)(CH3)3	H(CCHH)	109.4715	0.043	22	109.4715	0.002	22	109.5762	0.915	1529	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:N-4:	C-4:	C(CCCN)(H)3	C(CC[6a]N)(CH3)2(NH3)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]N)(CH3)2(NH3)	H(CCHH)	109.4599	0.025	8	109.4599	0.001	8	109.4599	0.001	8	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:P-4:	C-4:	C(CCCP)(H)3	C(CC[5]C)(CH3)2(PC3)	H(CCHH)	C(CCCP)(H)3	C(CC[5]C)(CH3)2(PC3)	H(CCHH)	109.4895	0.026	4	109.4895	0.001	4	109.4895	0.001	4	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CC[6a]C)(NCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CC[6a]C)(NCHH)(CH3)2	H(CCHH)	109.4671	0.025	10	109.4671	0.001	10	109.4671	0.001	10	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:S-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CC[6a]N)(SCOO)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CC[6a]N)(SCOO)(CH3)2	H(CCHH)	109.4795	0.033	4	109.4795	0.001	4	109.4795	0.001	4	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:Si-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(CC[5]H)(SiCCO)(CH3)2	H(CCHH)	C(CSiCC)(H)3	C(CC[5]H)(SiCCO)(CH3)2	H(CCHH)	109.4734	0.035	5	109.4734	0.001	5	109.4734	0.001	5	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3,6]P[3])(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3,6]P[3])(CH3)3	H(CCHH)	109.4836	0.031	5	109.4836	0.001	5	109.6634	3.560	28	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]2)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]2)(CH3)3	H(CCHH)	110.0719	3.425	9	110.0719	11.732	9	109.6634	3.560	28	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]P[3])(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]P[3])(CH3)3	H(CCHH)	109.4651	0.060	14	109.4651	0.004	14	109.6634	3.560	28	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3a]-3:C-4:C-4:C-4:	C-4:	C(CC[3a]CC)(H)3	C(C[3a]C[3a]2)(CCHH)(CH3)2	H(CCHH)	C(CC[3a]CC)(H)3	C(C[3a]C[3a]2)(CCHH)(CH3)2	H(CCHH)	109.7365	2.796	95	109.7365	7.820	95	109.7365	7.820	95	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4,6]C[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4,6]C[4])(CH3)3	H(CCHH)	109.4740	0.020	6	109.4740	0.000	6	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4,6]P[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4,6]P[4])(CH3)3	H(CCHH)	109.4908	0.082	13	109.4908	0.007	13	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]2)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]2)(CH3)3	H(CCHH)	110.1043	1.316	26	110.1043	1.731	26	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]N[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]N[4])(CH3)3	H(CCHH)	109.4832	0.025	6	109.4832	0.001	6	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]P[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]P[4])(CH3)3	H(CCHH)	109.4582	0.072	20	109.4582	0.005	20	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]N[4]2)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]N[4]2)(CH3)3	H(CCHH)	109.4758	0.049	108	109.4758	0.002	108	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]P[4,4]P[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]P[4,4]P[4])(CH3)3	H(CCHH)	109.4585	0.076	24	109.4585	0.006	24	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]P[4,5]C[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]P[4,5]C[4])(CH3)3	H(CCHH)	109.4689	0.051	16	109.4689	0.003	16	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]P[4,6,6]C[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]P[4,6,6]C[4])(CH3)3	H(CCHH)	109.4910	0.056	9	109.4910	0.003	9	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]S[4,5]C[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]S[4,5]C[4])(CH3)3	H(CCHH)	109.4824	0.027	7	109.4824	0.001	7	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]Si[4]C[4])(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]Si[4]C[4])(CH3)3	H(CCHH)	109.7209	0.415	24	109.7209	0.172	24	109.5598	0.224	259	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	H(CCHH)	109.4566	0.039	7	109.4566	0.002	7	109.4683	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[4,5,5,6]C[5,6])(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[4,5,5,6]C[5,6])(CH3)3	H(CCHH)	109.4737	0.037	9	109.4737	0.001	9	109.4683	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	H(CCHH)	109.5023	0.030	6	109.5023	0.001	6	109.4683	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]P[3x5,6]P[5,6])(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]P[3x5,6]P[5,6])(CH3)3	H(CCHH)	109.4532	0.030	6	109.4532	0.001	6	109.4683	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	H(CCHH)	109.4672	0.053	13	109.4672	0.003	13	109.4683	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	H(CCHH)	109.4662	0.039	31	109.4662	0.001	31	109.4683	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[5,6]C[5]C)(H)3	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	H(CCHH)	C(CC[5,6]C[5]C)(H)3	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	H(CCHH)	110.2730	0.483	6	110.2730	0.233	6	110.2730	0.233	6	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]B[4,5]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]B[4,5]C[5])(CH3)3	H(CCHH)	109.4906	0.031	8	109.4906	0.001	8	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[3x5]N[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[3x5]N[5])(CH3)3	H(CCHH)	109.4667	0.039	12	109.4667	0.002	12	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5])(CH3)3	H(CCHH)	109.4756	0.066	27	109.4756	0.004	27	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]P[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]P[5])(CH3)3	H(CCHH)	109.4494	0.047	19	109.4494	0.002	19	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6,6]2)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6,6]2)(CH3)3	H(CCHH)	109.4678	0.031	5	109.4678	0.001	5	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5])(CH3)3	H(CCHH)	109.4793	0.024	6	109.4793	0.001	6	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]P[3,5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]P[3,5])(CH3)3	H(CCHH)	109.4582	0.030	6	109.4582	0.001	6	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]P[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]P[5])(CH3)3	H(CCHH)	109.4835	0.037	6	109.4835	0.001	6	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5,5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5,5])(CH3)3	H(CCHH)	109.4806	0.033	7	109.4806	0.001	7	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5])(CH3)3	H(CCHH)	109.4813	0.030	6	109.4813	0.001	6	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CC[5]CC)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CC[5]CC)(CH3)2	H(CCHH)	109.4999	0.055	9	109.4999	0.003	9	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CH3)3	H(CCHH)	109.4692	0.042	257	109.4692	0.002	257	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	H(CCHH)	109.4530	0.032	5	109.4530	0.001	5	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CH3)3	H(CCHH)	109.5736	0.716	1258	109.5736	0.513	1258	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CPdHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CPdHH)(CH3)2	H(CCHH)	109.4658	0.034	16	109.4658	0.001	16	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5])(CH3)3	H(CCHH)	109.4696	0.050	71	109.4696	0.003	71	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5])(CH3)3	H(CCHH)	109.4654	0.070	67	109.4654	0.005	67	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	H(CCHH)	109.4523	0.030	3	109.4523	0.001	3	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]S[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]S[5])(CH3)3	H(CCHH)	109.4667	0.040	6	109.4667	0.002	6	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5x3,6x5,20x6]N[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5x3,6x5,20x6]N[5])(CH3)3	H(CCHH)	109.4585	0.042	23	109.4585	0.002	23	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]Ge[5]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]Ge[5]C[5])(CH3)3	H(CCHH)	109.4572	0.035	6	109.4572	0.001	6	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[3,5]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[3,5]C[5])(CH3)3	H(CCHH)	109.4757	0.058	63	109.4757	0.003	63	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,5]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,5]C[5])(CH3)3	H(CCHH)	109.4724	0.032	37	109.4724	0.001	37	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,5]N[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,5]N[5])(CH3)3	H(CCHH)	109.4574	0.049	13	109.4574	0.002	13	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,5a]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,5a]C[5])(CH3)3	H(CCHH)	109.4714	0.035	10	109.4714	0.001	10	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,6,6a]C[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,6,6a]C[5])(CH3)3	H(CCHH)	109.4624	0.039	11	109.4624	0.002	11	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]2)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]2)(CH3)3	H(CCHH)	109.4815	0.057	141	109.4815	0.003	141	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	H(CCHH)	109.4798	0.037	10	109.4798	0.001	10	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CH3)3	H(CCHH)	109.7768	1.261	47	109.7768	1.589	47	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CPdHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CPdHH)(CH3)2	H(CCHH)	109.4677	0.052	24	109.4677	0.003	24	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]P[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]P[5])(CH3)3	H(CCHH)	109.4709	0.061	117	109.4709	0.004	117	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]O[5]P[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]O[5]P[5])(CH3)3	H(CCHH)	109.4724	0.021	7	109.4724	0.000	7	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]P[3,5]P[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]P[3,5]P[5])(CH3)3	H(CCHH)	109.4658	0.055	25	109.4658	0.003	25	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]P[5,5,6,6]P[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]P[5,5,6,6]P[5])(CH3)3	H(CCHH)	109.4576	0.038	10	109.4576	0.001	10	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]P[5]2)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]P[5]2)(CH3)3	H(CCHH)	109.4293	0.124	24	109.4293	0.015	24	109.5313	0.309	2362	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	H(CCHH)	109.4658	0.050	10	109.4658	0.002	10	109.4658	0.002	10	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	H(CCHH)	109.4636	0.028	7	109.4636	0.001	7	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)3	H(CCHH)	109.4734	0.037	103	109.4734	0.001	103	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCHH)	109.6765	1.895	6	109.6765	3.590	6	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	H(CCHH)	109.4976	0.042	5	109.4976	0.002	5	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]N[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]N[5a])(CH3)3	H(CCHH)	109.4680	0.037	56	109.4680	0.001	56	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]2)(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]2)(CH3)3	H(CCHH)	109.6375	0.571	79	109.6375	0.326	79	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	H(CCHH)	110.4987	0.669	12	110.4987	0.447	12	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	H(CCHH)	109.4700	0.004	2	109.4700	0.000	2	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CH3)3	H(CCHH)	109.6593	1.067	1093	109.6593	1.139	1093	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	H(CCHH)	109.4464	0.031	5	109.4464	0.001	5	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CH3)3	H(CCHH)	109.4734	0.035	23	109.4734	0.001	23	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	H(CCHH)	109.4691	0.040	11	109.4691	0.002	11	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]C[5a]S[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]S[5a])(CH3)3	H(CCHH)	109.4426	0.424	30	109.4426	0.180	30	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]N[5,5a]N[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]N[5,5a]N[5a])(CH3)3	H(CCHH)	109.4680	0.048	22	109.4680	0.002	22	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]N[5a,6,6a]C[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]N[5a,6,6a]C[5a])(CH3)3	H(CCHH)	109.4635	0.048	10	109.4635	0.002	10	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]N[5a,6]C[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]N[5a,6]C[5a])(CH3)3	H(CCHH)	109.4713	0.045	26	109.4713	0.002	26	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]N[5a]2)(CC3)(CH3)2	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]N[5a]2)(CC3)(CH3)2	H(CCHH)	109.4483	0.015	4	109.4483	0.000	4	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]N[5a]2)(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]N[5a]2)(CH3)3	H(CCHH)	109.4781	0.149	59	109.4781	0.022	59	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]N[5a]O[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]N[5a]O[5a])(CH3)3	H(CCHH)	109.4775	0.025	20	109.4775	0.001	20	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(H)3	C(C[5a]N[5a]S[5a])(CH3)3	H(CCHH)	C(CC[5a]CC)(H)3	C(C[5a]N[5a]S[5a])(CH3)3	H(CCHH)	109.4726	0.032	7	109.4726	0.001	7	109.6179	0.835	1580	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	H(CCHH)	109.4841	0.029	7	109.4841	0.001	7	109.4742	0.002	85	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	H(CCHH)	109.4751	0.032	18	109.4751	0.001	18	109.4742	0.002	85	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]Fe)(CH3)2	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]Fe)(CH3)2	H(CCHH)	109.4784	0.076	18	109.4784	0.006	18	109.4742	0.002	85	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(CCHH)	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	H(CCHH)	109.4704	0.033	42	109.4704	0.001	42	109.4742	0.002	85	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C-4:	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	H(CCHH)	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	H(CCHH)	109.4689	0.035	29	109.4689	0.001	29	109.4712	0.001	37	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[6]-4:C-4:C-4:	C-4:	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a]N[5a])(C[6]C[6]2Sm)(CH3)2	H(CCHH)	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a]N[5a])(C[6]C[6]2Sm)(CH3)2	H(CCHH)	109.4797	0.043	8	109.4797	0.002	8	109.4712	0.001	37	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:C-4:C-4:	C-4:	C(CC[6,6]CC)(H)3	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	H(CCHH)	C(CC[6,6]CC)(H)3	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	H(CCHH)	109.4698	0.043	12	109.4698	0.002	12	109.4701	0.001	23	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:C-4:C-4:	C-4:	C(CC[6,6]CC)(H)3	C(C[6,6]P[3,6,6]P[6,6])(CH3)3	H(CCHH)	C(CC[6,6]CC)(H)3	C(C[6,6]P[3,6,6]P[6,6])(CH3)3	H(CCHH)	109.4807	0.033	6	109.4807	0.001	6	109.4701	0.001	23	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6,6]-3:C-4:C-4:C-4:	C-4:	C(CC[6,6]CC)(H)3	C(C[6,6]P[4,3x6]P[6,6])(CH3)3	H(CCHH)	C(CC[6,6]CC)(H)3	C(C[6,6]P[4,3x6]P[6,6])(CH3)3	H(CCHH)	109.4582	0.035	5	109.4582	0.001	5	109.4701	0.001	23	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6])(CH3)3	H(CCHH)	109.4651	0.068	46	109.4651	0.005	46	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[5,6]P[3x6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[5,6]P[3x6])(CH3)3	H(CCHH)	109.4705	0.032	6	109.4705	0.001	6	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[5a,6]2)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[5a,6]2)(CH3)3	H(CCHH)	109.4560	0.035	7	109.4560	0.001	7	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	H(CCHH)	109.4710	0.033	16	109.4710	0.001	16	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6,6]C[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6,6]C[6])(CH3)3	H(CCHH)	110.0773	2.145	56	110.0773	4.601	56	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6,6a]C[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6,6a]C[6])(CH3)3	H(CCHH)	109.4706	0.072	9	109.4706	0.005	9	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCHH)	109.4879	0.632	23	109.4879	0.400	23	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	H(CCHH)	109.4716	0.031	5	109.4716	0.001	5	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)3	H(CCHH)	109.5452	0.670	5086	109.5452	0.449	5086	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CHHW)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CHHW)(CH3)2	H(CCHH)	109.4662	0.032	6	109.4662	0.001	6	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CYbHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CYbHH)(CH3)2	H(CCHH)	109.4876	0.035	8	109.4876	0.001	8	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CClHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CClHH)(CH3)2	H(CCHH)	109.4890	0.026	4	109.4890	0.001	4	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CH3)3	H(CCHH)	109.4999	0.484	492	109.4999	0.234	492	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHH)	109.4727	0.068	31	109.4727	0.005	31	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHP)2(CH3)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHP)2(CH3)	H(CCHH)	109.4800	0.034	3	109.4800	0.001	3	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHS)2(CH3)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHS)2(CH3)	H(CCHH)	109.4684	0.015	5	109.4684	0.000	5	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CPdHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CPdHH)(CH3)2	H(CCHH)	109.4836	0.045	15	109.4836	0.002	15	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CPtHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CPtHH)(CH3)2	H(CCHH)	109.4823	0.034	10	109.4823	0.001	10	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]O[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]O[6])(CH3)3	H(CCHH)	109.4464	0.394	77	109.4464	0.155	77	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]Ge[6]C[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]Ge[6]C[6])(CH3)3	H(CCHH)	109.4712	0.043	6	109.4712	0.002	6	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]N[4,6]C[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]N[4,6]C[6])(CH3)3	H(CCHH)	109.4842	0.025	5	109.4842	0.001	5	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]N[6]2)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]N[6]2)(CH3)3	H(CCHH)	109.6829	1.217	22	109.6829	1.481	22	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]N[6]O[6])(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]N[6]O[6])(CH3)3	H(CCHH)	109.4620	0.046	7	109.4620	0.002	7	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]P[6]2)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]P[6]2)(CH3)3	H(CCHH)	109.4577	0.041	10	109.4577	0.002	10	109.5430	0.457	5955	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	H(CCHH)	109.4767	0.053	12	109.4767	0.003	12	109.4767	0.003	12	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)3	H(CCHH)	109.4767	0.044	31	109.4767	0.002	31	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)3	H(CCHH)	109.6328	0.863	498	109.6328	0.744	498	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]N[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]N[6a])(CH3)3	H(CCHH)	109.4673	1.611	4	109.4673	2.595	4	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]O[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]O[6a])(CH3)3	H(CCHH)	109.8638	0.860	5	109.8638	0.740	5	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)3	H(CCHH)	109.6489	0.602	126	109.6489	0.362	126	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]N[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]N[6a])(CH3)3	H(CCHH)	109.4761	0.031	9	109.4761	0.001	9	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)3	H(CCHH)	109.4842	0.763	449	109.4842	0.582	449	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	H(CCHH)	109.4832	0.044	40	109.4832	0.002	40	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)3	H(CCHH)	109.7967	1.547	63	109.7967	2.394	63	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	H(CCHH)	109.4707	0.051	7	109.4707	0.003	7	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)2	H(CCHH)	109.4647	0.024	4	109.4647	0.001	4	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCHH)	109.4925	0.361	301	109.4925	0.130	301	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)2	H(CCHH)	109.4680	0.031	4	109.4680	0.001	4	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHW)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHW)(CH3)2	H(CCHH)	109.4710	0.058	4	109.4710	0.003	4	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	H(CCHH)	109.4505	0.047	4	109.4505	0.002	4	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	H(CCHH)	109.4680	0.041	2	109.4680	0.002	2	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	H(CCHH)	109.4645	0.028	2	109.4645	0.001	2	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	H(CCHH)	109.4642	0.030	5	109.4642	0.001	5	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	H(CCHH)	109.4850	0.058	11	109.4850	0.003	11	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	H(CCHH)	109.4440	0.000	1	109.4440	0.000	1	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	H(CCHH)	109.4760	0.043	3	109.4760	0.002	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	H(CCHH)	109.4840	0.034	3	109.4840	0.001	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	H(CCHH)	109.4890	0.016	3	109.4890	0.000	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	H(CCHH)	109.4810	0.010	2	109.4810	0.000	2	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	H(CCHH)	109.4665	0.153	6	109.4665	0.023	6	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	H(CCHH)	109.4773	0.017	3	109.4773	0.000	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	H(CCHH)	108.5217	1.380	3	108.5217	1.905	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CClHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CClHH)(CH3)2	H(CCHH)	109.4500	0.012	4	109.4500	0.000	4	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCoHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCoHH)(CH3)2	H(CCHH)	109.4663	0.041	18	109.4663	0.002	18	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)3	H(CCHH)	109.5804	1.085	32139	109.5804	1.177	32139	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	H(CCHH)	109.4863	0.044	3	109.4863	0.002	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)2	H(CCHH)	109.4858	0.030	11	109.4858	0.001	11	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)2	H(CCHH)	110.5810	0.927	6	110.5810	0.859	6	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CMnHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CMnHH)(CH3)2	H(CCHH)	109.4783	0.027	7	109.4783	0.001	7	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	H(CCHH)	109.4657	0.064	6	109.4657	0.004	6	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	H(CCHH)	109.4637	0.033	9	109.4637	0.001	9	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNiHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNiHH)(CH3)2	H(CCHH)	109.4628	0.048	24	109.4628	0.002	24	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPdHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPdHH)(CH3)2	H(CCHH)	109.4662	0.113	80	109.4662	0.013	80	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPtHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPtHH)(CH3)2	H(CCHH)	109.4613	0.051	6	109.4613	0.003	6	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CSnHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CSnHH)(CH3)2	H(CCHH)	109.4674	0.053	173	109.4674	0.003	173	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CTaHH)(CH3)2	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CTaHH)(CH3)2	H(CCHH)	109.4753	0.061	6	109.4753	0.004	6	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	H(CCHH)	109.4490	0.058	3	109.4490	0.003	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CH3)3	H(CCHH)	109.8095	1.332	151	109.8095	1.776	151	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHH)	109.4589	0.030	8	109.4589	0.001	8	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	H(CCHH)	109.4630	0.026	3	109.4630	0.001	3	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]C[6a]O[6a])(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]O[6a])(CH3)3	H(CCHH)	109.4773	0.030	13	109.4773	0.001	13	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(C[6a]N[6a]2)(CH3)3	H(CCHH)	C(CC[6a]CC)(H)3	C(C[6a]N[6a]2)(CH3)3	H(CCHH)	109.9643	1.162	31	109.9643	1.351	31	109.5796	1.139	34294	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	H(CCHH)	109.4597	0.019	3	109.4597	0.000	3	109.4597	0.000	3	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:P-4:C-4:	C-4:	C(CC[6a]CP)(H)3	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	H(CCHH)	C(CC[6a]CP)(H)3	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	H(CCHH)	109.4990	0.059	2	109.4990	0.004	2	109.4990	0.004	2	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2U)(CH3)2	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2U)(CH3)2	H(CCHH)	109.4589	0.058	16	109.4589	0.003	16	109.4672	0.003	22	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2Y)(CH3)2	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2Y)(CH3)2	H(CCHH)	109.4893	0.047	6	109.4893	0.002	6	109.4672	0.003	22	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C-4:	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	H(CCHH)	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	H(CCHH)	109.4755	0.028	2	109.4755	0.001	2	109.5960	4.811	138	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C-4:	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(CCHH)	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	H(CCHH)	109.5978	2.210	136	109.5978	4.882	136	109.5960	4.811	138	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	H(CCHH)	109.4425	0.028	6	109.4425	0.001	6	109.4784	0.054	59	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]SnH)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]SnH)(CH3)2	H(CCHH)	109.5098	0.025	5	109.5098	0.001	5	109.4784	0.054	59	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NIrHH)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NIrHH)(CH3)2	H(CCHH)	109.4792	0.252	42	109.4792	0.063	42	109.4784	0.054	59	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-4:C-4:	C-4:	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NRhHH)(CH3)2	H(CCHH)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NRhHH)(CH3)2	H(CCHH)	109.4828	0.312	6	109.4828	0.098	6	109.4784	0.054	59	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:Si-4:C-4:C-4:	C-4:	C(CC[6a]SiC)(H)3	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	H(CCHH)	C(CC[6a]SiC)(H)3	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	H(CCHH)	109.4975	0.044	6	109.4975	0.002	6	109.4975	0.002	6	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-3:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaCC)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaCC)(CH3)3	H(CCHH)	109.4649	0.044	62	109.4649	0.002	62	109.4651	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-3:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaCP)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaCP)(CH3)3	H(CCHH)	109.4665	0.023	10	109.4665	0.001	10	109.4651	0.002	72	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[6]-3:C-4:C-4:C-4:	C-4:	C(CGe[6]CC)(H)3	C(Ge[6]N[6,6a]N[6])(CH3)3	H(CCHH)	C(CGe[6]CC)(H)3	C(Ge[6]N[6,6a]N[6])(CH3)3	H(CCHH)	109.4863	0.062	9	109.4863	0.004	9	109.4863	0.004	9	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAlB)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAlB)(CH3)3	H(CCHH)	109.4693	0.030	8	109.4693	0.001	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAlC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAlC)(CH3)3	H(CCHH)	109.4696	0.274	92	109.4696	0.075	92	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAlP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAlP)(CH3)3	H(CCHH)	109.4729	0.034	44	109.4729	0.001	44	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAlSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAlSi)(CH3)3	H(CCHH)	109.4733	0.033	21	109.4733	0.001	21	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NB[5]2)(CCCH)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NB[5]2)(CCCH)2(CH3)	H(CCHH)	109.4460	0.053	3	109.4460	0.003	3	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NB[5]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NB[5]C)(CH3)3	H(CCHH)	109.4724	0.035	19	109.4724	0.001	19	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NB[5a]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NB[5a]H)(CH3)3	H(CCHH)	109.4430	0.024	5	109.4430	0.001	5	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NBiC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NBiC)(CH3)3	H(CCHH)	109.4559	1.212	96	109.4559	1.469	96	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[3,5]Hf)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[3,5]Hf)(CH3)3	H(CCHH)	109.4676	0.027	5	109.4676	0.001	5	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[3]Hf)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[3]Hf)(CH3)3	H(CCHH)	109.4778	0.030	6	109.4778	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]H)(CH3)3	H(CCHH)	109.4700	0.015	4	109.4700	0.000	4	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[4]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[4]H)(CH3)3	H(CCHH)	109.4721	0.046	12	109.4721	0.002	12	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[4]Zr)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[4]Zr)(CH3)3	H(CCHH)	109.4724	0.115	40	109.4724	0.013	40	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]Al)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]Al)(CH3)3	H(CCHH)	109.4668	0.028	8	109.4668	0.001	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]C)(CH3)3	H(CCHH)	109.4783	0.032	15	109.4783	0.001	15	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]Cu)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]Cu)(CH3)3	H(CCHH)	109.4670	0.019	5	109.4670	0.000	5	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]H)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[5]H)(CCHH)(CH3)2	H(CCHH)	109.9666	2.424	5	109.9666	5.874	5	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]H)(CH3)3	H(CCHH)	109.7895	1.124	146	109.7895	1.264	146	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]O)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]O)(CH3)3	H(CCHH)	109.0812	1.954	17	109.0812	3.817	17	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]Pd)(CHHO)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[5]Pd)(CHHO)(CH3)2	H(CCHH)	109.4623	0.039	6	109.4623	0.002	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]Si)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]Si)(CH3)3	H(CCHH)	109.4733	0.048	7	109.4733	0.002	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]Ti)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]Ti)(CH3)3	H(CCHH)	109.4785	0.027	8	109.4785	0.001	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5]Zn)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5]Zn)(CH3)3	H(CCHH)	109.4722	0.039	9	109.4722	0.002	9	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5a]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5a]C)(CH3)3	H(CCHH)	109.4637	0.044	15	109.4637	0.002	15	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5a]H)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[5a]H)(CCHH)(CH3)2	H(CCHH)	109.4724	0.030	11	109.4724	0.001	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5a]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5a]H)(CH3)3	H(CCHH)	109.4702	0.040	181	109.4702	0.002	181	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5a]O)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5a]O)(CH3)3	H(CCHH)	110.1498	1.656	26	110.1498	2.741	26	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5x3,3x5,11x6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5x3,3x5,11x6]H)(CH3)3	H(CCHH)	109.4849	0.044	9	109.4849	0.002	9	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[5x3,5x5,5x6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[5x3,5x5,5x6]H)(CH3)3	H(CCHH)	109.4792	0.062	28	109.4792	0.004	28	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]2)(CHHO)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NC[6]2)(CHHO)2(CH3)	H(CCHH)	109.4950	0.017	2	109.4950	0.000	2	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]H)(CH3)3	H(CCHH)	109.4803	0.051	101	109.4803	0.003	101	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]O)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]O)(CH3)3	H(CCHH)	109.4080	1.906	144	109.4080	3.633	144	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]Ti)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]Ti)(CH3)3	H(CCHH)	109.4751	0.032	8	109.4751	0.001	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]V)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]V)(CH3)3	H(CCHH)	109.4807	0.052	38	109.4807	0.003	38	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]Zr)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]Zr)(CH3)3	H(CCHH)	109.4589	0.047	14	109.4589	0.002	14	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]Al)(CCHN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Al)(CCHN)(CH3)2	H(CCHH)	109.4388	0.046	5	109.4388	0.002	5	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]B)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]B)(CH3)3	H(CCHH)	109.4620	0.032	6	109.4620	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]C)(CH3)3	H(CCHH)	109.4778	0.087	26	109.4778	0.008	26	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]Co)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Co)(CH3)3	H(CCHH)	109.4742	0.035	11	109.4742	0.001	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]Fe)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Fe)(CH3)3	H(CCHH)	109.4711	0.031	8	109.4711	0.001	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	H(CCHH)	109.4753	0.034	80	109.4753	0.001	80	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]H)(CH3)3	H(CCHH)	109.4764	0.060	114	109.4764	0.004	114	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]Mo)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Mo)(CH3)3	H(CCHH)	109.4677	0.043	166	109.4677	0.002	166	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]Nb)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Nb)(CH3)3	H(CCHH)	109.4803	0.031	10	109.4803	0.001	10	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]Ni)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Ni)(CH3)3	H(CCHH)	109.4698	0.038	10	109.4698	0.001	10	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]O)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]O)(CH3)3	H(CCHH)	109.6319	1.678	380	109.6319	2.817	380	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]Sn)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6a]Sn)(CH3)3	H(CCHH)	109.8965	1.090	14	109.8965	1.188	14	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NClC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NClC)(CH3)3	H(CCHH)	109.4638	0.028	6	109.4638	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCoC)(CH3)3	H(CCHH)	109.4716	0.033	33	109.4716	0.001	33	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoN)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCoN)(CH3)3	H(CCHH)	109.4756	0.038	46	109.4756	0.001	46	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCoSi)(CH3)3	H(CCHH)	110.1424	3.211	27	110.1424	10.308	27	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCrC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCrC)(CH3)3	H(CCHH)	109.4663	0.046	81	109.4663	0.002	81	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCrP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCrP)(CH3)3	H(CCHH)	109.4782	0.050	33	109.4782	0.003	33	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCrSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCrSi)(CH3)3	H(CCHH)	109.4676	0.043	42	109.4676	0.002	42	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCuC)(CH3)3	H(CCHH)	109.4680	0.046	29	109.4680	0.002	29	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NDyC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NDyC)(CH3)3	H(CCHH)	109.4671	0.057	7	109.4671	0.003	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NErC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NErC)(CH3)3	H(CCHH)	109.4709	0.059	8	109.4709	0.004	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NEuC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NEuC)(CH3)3	H(CCHH)	109.4464	0.050	11	109.4464	0.002	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFe2)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NFe2)(CH3)3	H(CCHH)	109.4690	0.044	31	109.4690	0.002	31	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFeC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NFeC)(CH3)3	H(CCHH)	110.0549	1.770	77	110.0549	3.134	77	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFeN)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NFeN)(CH3)3	H(CCHH)	109.4667	0.062	28	109.4667	0.004	28	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFeSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NFeSi)(CH3)3	H(CCHH)	109.4874	0.037	8	109.4874	0.001	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NGaSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NGaSi)(CH3)3	H(CCHH)	110.4814	1.996	26	110.4814	3.983	26	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NGdC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NGdC)(CH3)3	H(CCHH)	109.4775	0.063	12	109.4775	0.004	12	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NGeC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NGeC)(CH3)3	H(CCHH)	109.4661	0.041	9	109.4661	0.002	9	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NHfC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NHfC)(CH3)3	H(CCHH)	109.4606	0.037	26	109.4606	0.001	26	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NHfIr)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NHfIr)(CH3)3	H(CCHH)	109.4014	0.169	9	109.4014	0.029	9	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NHfSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NHfSi)(CH3)3	H(CCHH)	109.4684	0.040	29	109.4684	0.002	29	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NInSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NInSi)(CH3)3	H(CCHH)	109.4873	0.048	12	109.4873	0.002	12	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NIrC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NIrC)(CH3)3	H(CCHH)	109.4798	0.082	13	109.4798	0.007	13	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NIrH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NIrH)(CH3)3	H(CCHH)	109.4524	0.038	5	109.4524	0.001	5	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NIrTi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NIrTi)(CH3)3	H(CCHH)	109.4521	0.041	7	109.4521	0.002	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLiC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLiC)(CH3)3	H(CCHH)	109.4838	0.048	26	109.4838	0.002	26	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLiP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLiP)(CH3)3	H(CCHH)	109.4774	0.074	23	109.4774	0.006	23	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLiS)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLiS)(CH3)3	H(CCHH)	109.4756	0.021	11	109.4756	0.000	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLiSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLiSi)(CH3)3	H(CCHH)	109.4940	0.039	7	109.4940	0.002	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLiU)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLiU)(CH3)3	H(CCHH)	109.4735	0.047	10	109.4735	0.002	10	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLuP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLuP)(CH3)3	H(CCHH)	109.4855	0.055	15	109.4855	0.003	15	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMgC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMgC)(CH3)3	H(CCHH)	109.4671	0.048	34	109.4671	0.002	34	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMgP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMgP)(CH3)3	H(CCHH)	109.4412	0.159	27	109.4412	0.025	27	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMgS)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMgS)(CH3)3	H(CCHH)	109.4729	0.048	12	109.4729	0.002	12	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMgSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMgSi)(CH3)3	H(CCHH)	109.4797	0.037	10	109.4797	0.001	10	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMnC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMnC)(CH3)3	H(CCHH)	109.4653	0.035	11	109.4653	0.001	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMoC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMoC)(CH3)3	H(CCHH)	109.4788	0.047	32	109.4788	0.002	32	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMoH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMoH)(CH3)3	H(CCHH)	109.4600	0.031	6	109.4600	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMoP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMoP)(CH3)3	H(CCHH)	109.4487	0.047	6	109.4487	0.002	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMoSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMoSi)(CH3)3	H(CCHH)	109.4699	0.048	14	109.4699	0.002	14	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNbH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNbH)(CH3)3	H(CCHH)	109.4635	0.015	4	109.4635	0.000	4	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[4,6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[4,6]H)(CH3)3	H(CCHH)	109.4773	0.035	6	109.4773	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[5x3]Rh)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[5x3]Rh)(CH3)3	H(CCHH)	109.4658	0.034	6	109.4658	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[6]B[5])(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[6]B[5])(CH3)3	H(CCHH)	109.4877	0.052	11	109.4877	0.003	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[6]H)(CH3)3	H(CCHH)	109.4659	0.038	9	109.4659	0.001	9	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[6]Li)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[6]Li)(CH3)3	H(CCHH)	109.4993	0.038	6	109.4993	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNb[6]Si)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNb[6]Si)(CH3)3	H(CCHH)	109.4672	0.036	13	109.4672	0.001	13	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNiC)(CH3)3	H(CCHH)	109.6293	0.690	71	109.6293	0.476	71	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiN)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNiN)(CH3)3	H(CCHH)	109.4673	0.039	33	109.4673	0.001	33	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNiP)(CH3)3	H(CCHH)	109.4835	0.047	13	109.4835	0.002	13	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NOsC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NOsC)(CH3)3	H(CCHH)	109.4592	0.059	18	109.4592	0.003	18	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]Al)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]Al)(CH3)3	H(CCHH)	109.4643	0.043	6	109.4643	0.002	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]H)(CH3)3	H(CCHH)	109.4685	0.047	294	109.4685	0.002	294	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]Mg)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]Mg)(CH3)3	H(CCHH)	109.4698	0.062	23	109.4698	0.004	23	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]Ni)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]Ni)(CH3)3	H(CCHH)	109.4710	0.042	11	109.4710	0.002	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]P)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]P)(CH3)3	H(CCHH)	109.4700	0.026	6	109.4700	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]Sb)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]Sb)(CH3)3	H(CCHH)	109.4791	0.052	37	109.4791	0.003	37	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]Ti)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]Ti)(CH3)3	H(CCHH)	109.4617	0.046	26	109.4617	0.002	26	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]Zr)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]Zr)(CH3)3	H(CCHH)	109.4824	0.048	11	109.4824	0.002	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[6]H)(CH3)3	H(CCHH)	109.4047	1.238	72	109.4047	1.532	72	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPdC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NPdC)(CH3)3	H(CCHH)	109.4711	0.042	100	109.4711	0.002	100	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPdSe)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NPdSe)(CH3)3	H(CCHH)	109.4514	0.064	11	109.4514	0.004	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPtC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NPtC)(CH3)3	H(CCHH)	109.4556	0.075	33	109.4556	0.006	33	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRhB)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NRhB)(CH3)3	H(CCHH)	109.4699	0.030	24	109.4699	0.001	24	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRhC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NRhC)(CH3)3	H(CCHH)	109.4858	0.041	16	109.4858	0.002	16	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRuC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NRuC)(CH3)3	H(CCHH)	110.3113	3.419	54	110.3113	11.689	54	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSb2)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSb2)(CH3)3	H(CCHH)	109.4477	0.080	46	109.4477	0.006	46	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSbB)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSbB)(CH3)3	H(CCHH)	109.4631	0.055	30	109.4631	0.003	30	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSbC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSbC)(CH3)3	H(CCHH)	109.4703	0.401	217	109.4703	0.161	217	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSbSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSbSi)(CH3)3	H(CCHH)	111.5771	1.718	16	111.5771	2.952	16	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NScC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NScC)(CH3)3	H(CCHH)	109.4787	0.034	6	109.4787	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NScP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NScP)(CH3)3	H(CCHH)	109.4516	0.061	21	109.4516	0.004	21	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NScSi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NScSi)(CH3)3	H(CCHH)	109.4764	0.031	14	109.4764	0.001	14	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSe2)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSe2)(CH3)3	H(CCHH)	109.4702	0.044	46	109.4702	0.002	46	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiB)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiB)(CH3)3	H(CCHH)	109.4668	0.022	20	109.4668	0.000	20	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiC)(CH3)3	H(CCHH)	109.4712	0.045	54	109.4712	0.002	54	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiH)(CH3)3	H(CCHH)	109.4563	0.082	19	109.4563	0.007	19	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiSn)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiSn)(CH3)3	H(CCHH)	109.4622	0.159	23	109.4622	0.025	23	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiTi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiTi)(CH3)3	H(CCHH)	109.7661	1.214	112	109.7661	1.473	112	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiZn)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiZn)(CH3)3	H(CCHH)	109.4758	0.021	5	109.4758	0.000	5	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiZr)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiZr)(CH3)3	H(CCHH)	109.4774	0.050	91	109.4774	0.002	91	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[4,5]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[4,5]C)(CH3)3	H(CCHH)	109.4764	0.030	11	109.4764	0.001	11	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[4]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[4]C)(CH3)3	H(CCHH)	109.4791	0.035	24	109.4791	0.001	24	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[4]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[4]H)(CH3)3	H(CCHH)	109.4655	0.021	12	109.4655	0.000	12	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[4]P)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[4]P)(CH3)3	H(CCHH)	109.4688	0.031	8	109.4688	0.001	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[5,5]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[5,5]C)(CH3)3	H(CCHH)	109.4870	0.025	6	109.4870	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[5]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[5]C)(CH3)3	H(CCHH)	109.4756	0.039	7	109.4756	0.001	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[5]Li)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[5]Li)(CH3)3	H(CCHH)	109.4784	0.039	7	109.4784	0.001	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[5]Si)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[5]Si)(CH3)3	H(CCHH)	109.4688	0.033	15	109.4688	0.001	15	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[6]C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[6]C)(CH3)3	H(CCHH)	109.4727	0.035	6	109.4727	0.001	6	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSi[6]H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSi[6]H)(CH3)3	H(CCHH)	109.4668	0.038	18	109.4668	0.001	18	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSmP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSmP)(CH3)3	H(CCHH)	109.4645	0.062	15	109.4645	0.004	15	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSn2)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSn2)(CH3)3	H(CCHH)	109.4604	0.047	7	109.4604	0.002	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSnC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSnC)(CH3)3	H(CCHH)	109.4738	0.052	77	109.4738	0.003	77	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSnP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSnP)(CH3)3	H(CCHH)	109.4911	0.439	8	109.4911	0.193	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSnS)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSnS)(CH3)3	H(CCHH)	109.4727	0.037	25	109.4727	0.001	25	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSnTe)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSnTe)(CH3)3	H(CCHH)	109.4802	0.050	10	109.4802	0.002	10	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSrC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSrC)(CH3)3	H(CCHH)	109.4809	0.040	9	109.4809	0.002	9	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NTaH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NTaH)(CH3)3	H(CCHH)	109.4700	0.033	20	109.4700	0.001	20	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NTe2)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NTe2)(CH3)3	H(CCHH)	109.4608	0.055	10	109.4608	0.003	10	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NTeC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NTeC)(CH3)3	H(CCHH)	109.3906	0.109	8	109.3906	0.012	8	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NTeH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NTeH)(CH3)3	H(CCHH)	109.4971	0.066	9	109.4971	0.004	9	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NThC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NThC)(CH3)3	H(CCHH)	109.4661	0.042	20	109.4661	0.002	20	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NTiC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NTiC)(CH3)3	H(CCHH)	109.4660	0.211	88	109.4660	0.044	88	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NTiP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NTiP)(CH3)3	H(CCHH)	109.4803	0.032	10	109.4803	0.001	10	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NYbC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NYbC)(CH3)3	H(CCHH)	109.4773	0.088	42	109.4773	0.008	42	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZnC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZnC)(CH3)3	H(CCHH)	109.4740	0.061	21	109.4740	0.004	21	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZnP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZnP)(CH3)3	H(CCHH)	109.4827	0.042	15	109.4827	0.002	15	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZnS)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZnS)(CH3)3	H(CCHH)	109.4403	0.030	7	109.4403	0.001	7	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZrC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZrC)(CH3)3	H(CCHH)	109.7929	1.131	122	109.7929	1.280	122	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZrH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZrH)(CH3)3	H(CCHH)	109.4848	0.271	18	109.4848	0.074	18	109.5414	0.795	5136	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]B[3]C[3])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]B[3]C[3])(CH3)3	H(CCHH)	109.4750	0.032	5	109.4750	0.001	5	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]C[3]2)(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]C[3]2)(CH3)3	H(CCHH)	109.4761	0.040	16	109.4761	0.002	16	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	H(CCHH)	109.4651	0.043	15	109.4651	0.002	15	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	H(CCHH)	109.4947	0.065	17	109.4947	0.004	17	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	H(CCHH)	109.4649	0.056	22	109.4649	0.003	22	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[3,5,5]C[3,5])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[3,5,5]C[3,5])(CH3)3	H(CCHH)	109.4709	0.043	10	109.4709	0.002	10	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]B[3,5])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]B[3,5])(CH3)3	H(CCHH)	109.4439	0.038	7	109.4439	0.001	7	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]C[3])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]C[3])(CH3)3	H(CCHH)	109.4655	0.032	10	109.4655	0.001	10	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[3]C[3])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[3]C[3])(CH3)3	H(CCHH)	109.4780	0.064	6	109.4780	0.004	6	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[3x3]2)(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[3x3]2)(CH3)3	H(CCHH)	109.4599	0.032	9	109.4599	0.001	9	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Nb[6x3]C[3,3])(CH3)3	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Nb[6x3]C[3,3])(CH3)3	H(CCHH)	109.4135	0.082	4	109.4135	0.007	4	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(H)3	C(N[3]Si[3]C[3])(CCHH)(CH3)2	H(CCHH)	C(CN[3]CC)(H)3	C(N[3]Si[3]C[3])(CCHH)(CH3)2	H(CCHH)	109.4352	0.044	5	109.4352	0.002	5	109.4676	0.003	126	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4,6]-3:C-4:C-4:C-4:	C-4:	C(CN[4,6]CC)(H)3	C(N[4,6]P[4,6,6]2)(CH3)3	H(CCHH)	C(CN[4,6]CC)(H)3	C(N[4,6]P[4,6,6]2)(CH3)3	H(CCHH)	109.4625	0.044	30	109.4625	0.002	30	109.4625	0.002	30	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]As[4,4]B[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]As[4,4]B[4])(CH3)3	H(CCHH)	109.4794	0.055	15	109.4794	0.003	15	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]As[4]B[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]As[4]B[4])(CH3)3	H(CCHH)	109.4772	0.070	13	109.4772	0.005	13	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]B[4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]B[4]C[4])(CH3)3	H(CCHH)	109.4733	0.041	20	109.4733	0.002	20	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]B[4]P[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]B[4]P[4])(CH3)3	H(CCHH)	109.4664	0.027	5	109.4664	0.001	5	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]C[4,6]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]C[4,6]C[4])(CH3)3	H(CCHH)	109.4762	0.042	10	109.4762	0.002	10	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)3	H(CCHH)	109.4696	0.028	28	109.4696	0.001	28	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]C[4]O[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]C[4]O[4])(CH3)3	H(CCHH)	109.4548	0.289	19	109.4548	0.083	19	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)3	H(CCHH)	109.4735	0.053	8	109.4735	0.003	8	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ga[4]P[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ga[4]P[4])(CH3)3	H(CCHH)	109.4676	0.046	5	109.4676	0.002	5	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	H(CCHH)	109.4712	0.049	157	109.4712	0.002	157	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	H(CCHH)	109.4776	0.140	61	109.4776	0.020	61	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ge[4]S[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ge[4]S[4])(CH3)3	H(CCHH)	109.4719	0.038	31	109.4719	0.001	31	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	H(CCHH)	109.4771	0.052	83	109.4771	0.003	83	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]In[4,4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]In[4,4]C[4])(CH3)3	H(CCHH)	109.4746	0.026	10	109.4746	0.001	10	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Nb[4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Nb[4]C[4])(CH3)3	H(CCHH)	109.4480	0.049	8	109.4480	0.002	8	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4,5]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4,5]C[4])(CH3)3	H(CCHH)	109.4886	0.028	7	109.4886	0.001	7	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4,5]P[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4,5]P[4])(CH3)3	H(CCHH)	109.4544	0.061	24	109.4544	0.004	24	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4,6]Si[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4,6]Si[4])(CH3)3	H(CCHH)	109.4925	0.034	8	109.4925	0.001	8	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	H(CCHH)	109.4727	0.050	957	109.4727	0.003	957	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Se[4]2)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Se[4]2)(CH3)3	H(CCHH)	109.4748	0.029	8	109.4748	0.001	8	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Se[4]S[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Se[4]S[4])(CH3)3	H(CCHH)	109.4732	0.055	16	109.4732	0.003	16	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[3,3,4,5]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[3,3,4,5]C[4])(CH3)3	H(CCHH)	109.4889	0.035	9	109.4889	0.001	9	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	H(CCHH)	110.1143	1.455	78	110.1143	2.118	78	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)3	H(CCHH)	109.4731	0.050	23	109.4731	0.003	23	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6,6]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6,6]C[4])(CH3)3	H(CCHH)	109.4831	0.032	8	109.4831	0.001	8	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6]C[4])(CH3)3	H(CCHH)	109.4652	0.063	11	109.4652	0.004	11	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	H(CCHH)	109.6900	0.927	98	109.6900	0.859	98	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4,5,6,6]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4,5,6,6]C[4])(CH3)3	H(CCHH)	109.4711	0.055	10	109.4711	0.003	10	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4,5]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4,5]C[4])(CH3)3	H(CCHH)	109.4588	0.041	29	109.4588	0.002	29	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4,6,6]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4,6,6]C[4])(CH3)3	H(CCHH)	109.4685	0.051	42	109.4685	0.003	42	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4]2)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4]2)(CH3)3	H(CCHH)	109.4676	0.027	19	109.4676	0.001	19	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	H(CCHH)	109.4803	0.452	1093	109.4803	0.204	1093	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	H(CCHH)	109.4715	0.050	99	109.4715	0.003	99	109.4988	0.170	3012	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5,5]-3:C-4:C-4:C-4:	C-4:	C(CN[5,5]CC)(H)3	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	H(CCHH)	C(CN[5,5]CC)(H)3	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	H(CCHH)	109.4553	0.036	9	109.4553	0.001	9	109.4561	0.001	21	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5,5]-3:C-4:C-4:C-4:	C-4:	C(CN[5,5]CC)(H)3	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	H(CCHH)	C(CN[5,5]CC)(H)3	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	H(CCHH)	109.4567	0.039	12	109.4567	0.001	12	109.4561	0.001	21	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]As[5]Si[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]As[5]Si[5])(CH3)3	H(CCHH)	110.5171	1.252	18	110.5171	1.568	18	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]B[5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]B[5]C[5])(CH3)3	H(CCHH)	109.4670	0.108	100	109.4670	0.012	100	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[3,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[3,5]C[5])(CH3)3	H(CCHH)	109.4536	0.049	16	109.4536	0.002	16	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[4,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[4,5]C[5])(CH3)3	H(CCHH)	109.5020	0.129	13	109.5020	0.017	13	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5,5]C[5])(CH3)3	H(CCHH)	109.4643	0.033	52	109.4643	0.001	52	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5,6]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5,6]C[5])(CH3)3	H(CCHH)	109.4651	0.037	55	109.4651	0.001	55	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5,6]O[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5,6]O[5])(CH3)3	H(CCHH)	109.4720	0.030	6	109.4720	0.001	6	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5,6a]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5,6a]C[5])(CH3)3	H(CCHH)	109.7643	1.373	52	109.7643	1.885	52	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5,6a]Ge[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5,6a]Ge[5])(CH3)3	H(CCHH)	109.4653	0.072	21	109.4653	0.005	21	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5,6a]Se[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5,6a]Se[5])(CH3)3	H(CCHH)	109.4394	0.051	7	109.4394	0.003	7	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CCHH)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CCHH)(CH3)2	H(CCHH)	109.4713	0.014	3	109.4713	0.000	3	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CH3)3	H(CCHH)	109.5117	0.734	3384	109.5117	0.539	3384	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CHHO)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CHHO)(CH3)2	H(CCHH)	109.4654	0.041	17	109.4654	0.002	17	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CIrHH)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CIrHH)(CH3)2	H(CCHH)	109.4840	0.051	24	109.4840	0.003	24	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(COPP)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(COPP)(CH3)2	H(CCHH)	109.4778	0.014	4	109.4778	0.000	4	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRhHH)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRhHH)(CH3)2	H(CCHH)	110.3716	1.590	18	110.3716	2.528	18	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRuHH)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRuHH)(CH3)2	H(CCHH)	109.4662	0.027	13	109.4662	0.001	13	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]N[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]N[5])(CH3)3	H(CCHH)	109.4671	0.488	117	109.4671	0.238	117	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]O[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]O[5])(CH3)3	H(CCHH)	109.4668	0.341	19	109.4668	0.117	19	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]P[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]P[5])(CH3)3	H(CCHH)	109.6129	1.073	101	109.6129	1.151	101	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]S[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]S[5])(CH3)3	H(CCHH)	109.4755	0.029	24	109.4755	0.001	24	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Ga[4,5,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Ga[4,5,5]C[5])(CH3)3	H(CCHH)	109.4874	0.118	64	109.4874	0.014	64	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Ga[5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Ga[5]C[5])(CH3)3	H(CCHH)	109.4806	0.053	65	109.4806	0.003	65	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Ge[5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Ge[5]C[5])(CH3)3	H(CCHH)	109.4750	0.054	105	109.4750	0.003	105	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	H(CCHH)	109.4565	0.059	6	109.4565	0.004	6	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]N[5,5,6]Ga[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]N[5,5,6]Ga[5])(CH3)3	H(CCHH)	109.4777	0.056	7	109.4777	0.003	7	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]N[5]2)(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]N[5]2)(CH3)3	H(CCHH)	109.4581	0.049	47	109.4581	0.002	47	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	H(CCHH)	109.4547	0.038	7	109.4547	0.001	7	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Nb[5,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Nb[5,5]C[5])(CH3)3	H(CCHH)	109.4672	0.052	10	109.4672	0.003	10	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]P[4,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]P[4,5]C[5])(CH3)3	H(CCHH)	109.4880	0.035	6	109.4880	0.001	6	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Se[5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Se[5]C[5])(CH3)3	H(CCHH)	109.4682	0.052	69	109.4682	0.003	69	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Se[5]C[5])(CHHO)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Se[5]C[5])(CHHO)(CH3)2	H(CCHH)	110.4497	2.512	11	110.4497	6.312	11	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Si[3,3,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Si[3,3,5]C[5])(CH3)3	H(CCHH)	109.4771	0.026	7	109.4771	0.001	7	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Si[3,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Si[3,5]C[5])(CH3)3	H(CCHH)	109.4659	0.050	14	109.4659	0.002	14	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Si[3x5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Si[3x5]C[5])(CH3)3	H(CCHH)	109.4825	0.043	11	109.4825	0.002	11	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Si[4,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Si[4,5]C[5])(CH3)3	H(CCHH)	109.4763	0.017	9	109.4763	0.000	9	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Si[5,5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Si[5,5]C[5])(CH3)3	H(CCHH)	109.4742	0.025	13	109.4742	0.001	13	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Si[5]C[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Si[5]C[5])(CH3)3	H(CCHH)	109.4802	0.037	62	109.4802	0.001	62	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Si[5]P[5])(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Si[5]P[5])(CH3)3	H(CCHH)	109.9229	1.216	18	109.9229	1.479	18	109.5193	0.495	4595	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]B[5a,6a]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]B[5a,6a]C[5a])(CH3)3	H(CCHH)	109.8623	1.988	26	109.8623	3.952	26	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]B[5a]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]B[5a]C[5a])(CH3)3	H(CCHH)	109.6566	0.647	35	109.6566	0.418	35	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5,5a]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5,5a]C[5a])(CH3)3	H(CCHH)	109.4752	0.017	6	109.4752	0.000	6	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,5a]2)(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,5a]2)(CH3)3	H(CCHH)	109.4679	0.053	16	109.4679	0.003	16	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,5a]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,5a]C[5a])(CH3)3	H(CCHH)	109.4730	0.025	9	109.4730	0.001	9	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)3	H(CCHH)	109.4572	0.028	12	109.4572	0.001	12	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)3	H(CCHH)	109.4586	0.037	7	109.4586	0.001	7	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCHH)	109.4715	0.037	8	109.4715	0.001	8	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)3	H(CCHH)	109.4671	0.040	55	109.4671	0.002	55	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]N[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]N[5a])(CH3)3	H(CCHH)	109.4698	0.022	4	109.4698	0.000	4	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a]2)(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a]2)(CH3)3	H(CCHH)	109.5221	0.947	172	109.5221	0.897	172	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	H(CCHH)	109.6769	1.803	14	109.6769	3.251	14	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CH3)3	H(CCHH)	109.4797	1.333	157	109.4797	1.776	157	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	H(CCHH)	109.4610	0.010	3	109.4610	0.000	3	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	H(CCHH)	110.4607	1.669	10	110.4607	2.784	10	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]Ge[5a]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]Ge[5a]C[5a])(CH3)3	H(CCHH)	109.4655	0.045	56	109.4655	0.002	56	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]N[5a]2)(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]N[5a]2)(CH3)3	H(CCHH)	109.9354	1.382	16	109.9354	1.910	16	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(H)3	C(N[5a]Si[5a]C[5a])(CH3)3	H(CCHH)	C(CN[5a]CC)(H)3	C(N[5a]Si[5a]C[5a])(CH3)3	H(CCHH)	109.9122	0.659	18	109.9122	0.434	18	109.5578	1.068	624	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C-4:C-4:C-4:	C-4:	C(CN[6,6]CC)(H)3	C(N[6,6]C[3x6]N[6,6])(CH3)3	H(CCHH)	C(CN[6,6]CC)(H)3	C(N[6,6]C[3x6]N[6,6])(CH3)3	H(CCHH)	109.4701	0.034	41	109.4701	0.001	41	109.4757	0.002	54	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C-4:C-4:C-4:	C-4:	C(CN[6,6]CC)(H)3	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	H(CCHH)	C(CN[6,6]CC)(H)3	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	H(CCHH)	109.4932	0.076	13	109.4932	0.006	13	109.4757	0.002	54	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]B[6]C[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]B[6]C[6])(CH3)3	H(CCHH)	110.4853	1.764	65	110.4853	3.110	65	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6,6a]2)(CHHO)(CH3)2	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6,6a]2)(CHHO)(CH3)2	H(CCHH)	109.4688	0.018	5	109.4688	0.000	5	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6,6a]C[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6,6a]C[6])(CH3)3	H(CCHH)	109.4716	0.026	7	109.4716	0.001	7	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CH3)3	H(CCHH)	109.4873	0.410	129	109.4873	0.168	129	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CHHN)2(CH3)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CHHN)2(CH3)	H(CCHH)	109.4640	0.016	2	109.4640	0.000	2	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]N[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]N[6])(CH3)3	H(CCHH)	109.4690	0.017	5	109.4690	0.000	5	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]O[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]O[6])(CH3)3	H(CCHH)	109.4735	0.051	11	109.4735	0.003	11	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]P[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]P[6])(CH3)3	H(CCHH)	109.4612	0.027	8	109.4612	0.001	8	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]Ge[6]C[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]Ge[6]C[6])(CH3)3	H(CCHH)	109.4718	0.070	23	109.4718	0.005	23	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]Nb[6]C[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]Nb[6]C[6])(CH3)3	H(CCHH)	109.4946	0.051	8	109.4946	0.003	8	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]P[6]S[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]P[6]S[6])(CH3)3	H(CCHH)	106.3006	6.170	18	106.3006	38.066	18	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]Se[6]2)(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]Se[6]2)(CH3)3	H(CCHH)	109.4633	0.055	8	109.4633	0.003	8	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]Si[4,6]C[6])(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]Si[4,6]C[6])(CH3)3	H(CCHH)	109.4795	0.060	6	109.4795	0.004	6	109.5086	3.794	295	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-4:C-4:	C-4:	C(CN[6a]CC)(H)3	C(N[6a]B[6a]C[6a])(CH3)3	H(CCHH)	C(CN[6a]CC)(H)3	C(N[6a]B[6a]C[6a])(CH3)3	H(CCHH)	110.6214	1.760	27	110.6214	3.097	27	109.9586	1.634	63	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-4:C-4:	C-4:	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)2	H(CCHH)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)2	H(CCHH)	109.4754	0.017	5	109.4754	0.000	5	109.9586	1.634	63	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-4:C-4:	C-4:	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CH3)3	H(CCHH)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CH3)3	H(CCHH)	109.4595	0.025	25	109.4595	0.001	25	109.9586	1.634	63	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6a]-3:C-4:C-4:C-4:	C-4:	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)3	H(CCHH)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)3	H(CCHH)	109.4587	0.027	6	109.4587	0.001	6	109.9586	1.634	63	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OAl2)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OAl2)(CH3)3	H(CCHH)	109.4862	0.043	12	109.4862	0.002	12	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OAlMg)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OAlMg)(CH3)3	H(CCHH)	109.4864	0.044	14	109.4864	0.002	14	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OBiC)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OBiC)(CH3)3	H(CCHH)	109.4799	0.346	40	109.4799	0.120	40	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OCrLi)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OCrLi)(CH3)3	H(CCHH)	109.4632	0.054	12	109.4632	0.003	12	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(ODyC)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(ODyC)(CH3)3	H(CCHH)	109.4566	0.036	7	109.4566	0.001	7	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OFe2)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OFe2)(CH3)3	H(CCHH)	109.4808	0.024	8	109.4808	0.001	8	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OFeLi)(CC3)2(CH3)	H(CCHH)	C(CCCO)(H)3	C(OFeLi)(CC3)2(CH3)	H(CCHH)	109.4723	0.058	3	109.4723	0.003	3	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OInSn)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OInSn)(CH3)3	H(CCHH)	109.4844	0.050	12	109.4844	0.003	12	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLiMg)(CF3)2(CH3)	H(CCHH)	C(CCCO)(H)3	C(OLiMg)(CF3)2(CH3)	H(CCHH)	109.4550	0.036	4	109.4550	0.001	4	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLiPb)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLiPb)(CH3)3	H(CCHH)	109.4893	0.056	11	109.4893	0.003	11	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLiSi)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLiSi)(CH3)3	H(CCHH)	109.4708	0.026	9	109.4708	0.001	9	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLuSi)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLuSi)(CH3)3	H(CCHH)	109.4522	0.049	13	109.4522	0.002	13	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OMg2)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OMg2)(CH3)3	H(CCHH)	109.4775	0.037	28	109.4775	0.001	28	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OMgC)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OMgC)(CH3)3	H(CCHH)	109.4641	0.038	12	109.4641	0.001	12	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OMoSi)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OMoSi)(CH3)3	H(CCHH)	109.4898	0.058	6	109.4898	0.003	6	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(ONdSi)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(ONdSi)(CH3)3	H(CCHH)	109.4820	0.033	6	109.4820	0.001	6	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OSbC)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OSbC)(CH3)3	H(CCHH)	109.4860	0.201	24	109.4860	0.040	24	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OSiYb)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OSiYb)(CH3)3	H(CCHH)	109.4665	0.081	42	109.4665	0.007	42	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OSn2)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OSn2)(CH3)3	H(CCHH)	109.4800	0.040	7	109.4800	0.002	7	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OZn2)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OZn2)(CH3)3	H(CCHH)	110.0512	1.492	76	110.0512	2.225	76	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OZrC)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OZrC)(CH3)3	H(CCHH)	109.4683	0.042	7	109.4683	0.002	7	109.5993	0.548	353	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	O[4]-3:C-4:C-4:C-4:	C-4:	C(CO[4]CC)(H)3	C(O[4]In[4]2)(CHHO)(CH3)2	H(CCHH)	C(CO[4]CC)(H)3	C(O[4]In[4]2)(CHHO)(CH3)2	H(CCHH)	109.4674	0.035	5	109.4674	0.001	5	109.4674	0.001	5	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PAlC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PAlC)(CH3)3	H(CCHH)	109.4743	0.045	27	109.4743	0.002	27	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PB[6]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PB[6]C)(CH3)3	H(CCHH)	109.4878	0.056	21	109.4878	0.003	21	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBiSb)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBiSb)(CH3)3	H(CCHH)	109.4737	0.035	6	109.4737	0.001	6	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]C)(CH3)3	H(CCHH)	109.4749	0.036	9	109.4749	0.001	9	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]S)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]S)(CH3)3	H(CCHH)	109.4733	0.028	8	109.4733	0.001	8	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]B)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]B)(CH3)3	H(CCHH)	109.5001	0.831	14	109.5001	0.690	14	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]C)(CH3)3	H(CCHH)	109.4968	1.481	86	109.4968	2.192	86	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]Cl)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]Cl)(CH3)3	H(CCHH)	111.9044	1.543	9	111.9044	2.381	9	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]H)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]H)(CH3)3	H(CCHH)	110.8501	2.301	9	110.8501	5.297	9	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]Si)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]Si)(CH3)3	H(CCHH)	109.4637	0.037	51	109.4637	0.001	51	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]2)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]2)(CH3)3	H(CCHH)	109.3584	0.973	5	109.3584	0.946	5	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]C)(CH3)3	H(CCHH)	109.4684	0.038	20	109.4684	0.001	20	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]O)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]O)(CH3)3	H(CCHH)	110.1352	2.691	13	110.1352	7.239	13	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2)(CH3)3	H(CCHH)	109.4650	0.030	47	109.4650	0.001	47	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]B)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]B)(CH3)3	H(CCHH)	109.4708	0.020	9	109.4708	0.000	9	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]C)(CCHH)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(PC[6a]C)(CCHH)(CH3)2	H(CCHH)	109.4588	0.020	6	109.4588	0.000	6	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]C)(CH3)3	H(CCHH)	109.4730	0.049	89	109.4730	0.002	89	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]Cl)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]Cl)(CH3)3	H(CCHH)	110.9321	1.699	18	110.9321	2.886	18	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]N)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]N)(CH3)3	H(CCHH)	109.4761	0.041	23	109.4761	0.002	23	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]P)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]P)(CH3)3	H(CCHH)	109.4812	0.049	13	109.4812	0.002	13	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PClGe)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PClGe)(CH3)3	H(CCHH)	109.4757	0.028	6	109.4757	0.001	6	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PClN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PClN)(CH3)3	H(CCHH)	109.4552	0.026	5	109.4552	0.001	5	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PGaC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PGaC)(CH3)3	H(CCHH)	109.4533	0.049	7	109.4533	0.002	7	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PGa[4]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PGa[4]C)(CH3)3	H(CCHH)	109.4901	0.056	18	109.4901	0.003	18	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PGe[4]2)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PGe[4]2)(CH3)3	H(CCHH)	109.4748	0.035	5	109.4748	0.001	5	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PGe[4]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PGe[4]C)(CH3)3	H(CCHH)	109.4787	0.029	10	109.4787	0.001	10	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5]C)(CH3)3	H(CCHH)	109.4742	0.051	114	109.4742	0.003	114	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5a]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5a]C)(CH3)3	H(CCHH)	109.4698	0.033	27	109.4698	0.001	27	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[6]C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[6]C)(CH3)3	H(CCHH)	109.9958	1.104	42	109.9958	1.219	42	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[6]P)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[6]P)(CH3)3	H(CCHH)	109.4629	0.048	10	109.4629	0.002	10	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(POsC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(POsC)(CH3)3	H(CCHH)	109.4573	0.038	6	109.4573	0.001	6	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSeC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSeC)(CH3)3	H(CCHH)	109.4848	0.047	17	109.4848	0.002	17	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PTiP)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PTiP)(CH3)3	H(CCHH)	109.4744	0.040	9	109.4744	0.002	9	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PZrC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PZrC)(CH3)3	H(CCHH)	109.4696	0.039	10	109.4696	0.002	10	109.5935	0.732	769	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[3]-3:C-4:C-4:C-4:	C-4:	C(CP[3]CC)(H)3	C(P[3]C[3]P[3])(CH3)3	H(CCHH)	C(CP[3]CC)(H)3	C(P[3]C[3]P[3])(CH3)3	H(CCHH)	109.4560	0.022	6	109.4560	0.000	6	109.4560	0.000	6	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]As[4]P[4])(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]As[4]P[4])(CH3)3	H(CCHH)	109.4556	0.032	10	109.4556	0.001	10	109.6224	1.165	132	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4]2)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4]2)(CH3)3	H(CCHH)	109.4652	0.047	21	109.4652	0.002	21	109.6224	1.165	132	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4]P[4])(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4]P[4])(CH3)3	H(CCHH)	109.4884	0.021	5	109.4884	0.000	5	109.6224	1.165	132	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]Ga[4]P[4])(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]Ga[4]P[4])(CH3)3	H(CCHH)	109.4729	0.040	14	109.4729	0.002	14	109.6224	1.165	132	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]P[4]2)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]P[4]2)(CH3)3	H(CCHH)	109.7166	1.364	82	109.7166	1.859	82	109.6224	1.165	132	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5])(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5])(CH3)3	H(CCHH)	109.4396	0.048	7	109.4396	0.002	7	109.4674	0.002	40	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]P[5])(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]P[5])(CH3)3	H(CCHH)	109.4570	0.043	8	109.4570	0.002	8	109.4674	0.002	40	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]2)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]2)(CH3)3	H(CCHH)	109.4774	0.034	8	109.4774	0.001	8	109.4674	0.002	40	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]Ge[5,6]C[5])(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]Ge[5,6]C[5])(CH3)3	H(CCHH)	109.4845	0.063	6	109.4845	0.004	6	109.4674	0.002	40	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]N[5]P[5])(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]N[5]P[5])(CH3)3	H(CCHH)	109.4786	0.038	5	109.4786	0.001	5	109.4674	0.002	40	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-3:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]P[5]2)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]P[5]2)(CH3)3	H(CCHH)	109.4738	0.038	6	109.4738	0.001	6	109.4674	0.002	40	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-3:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]2)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]2)(CH3)3	H(CCHH)	109.4714	0.033	7	109.4714	0.001	7	109.4657	0.058	60	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-3:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]P[6])(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]P[6])(CH3)3	H(CCHH)	109.4660	0.272	47	109.4660	0.074	47	109.4657	0.058	60	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-3:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]Se[6]2)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]Se[6]2)(CH3)3	H(CCHH)	109.4568	0.028	6	109.4568	0.001	6	109.4657	0.058	60	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SAlLi)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SAlLi)(CH3)3	H(CCHH)	109.4459	0.084	20	109.4459	0.007	20	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[5]O)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[5]O)(CH3)3	H(CCHH)	109.7098	1.520	34	109.7098	2.311	34	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[5]Pd)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[5]Pd)(CH3)3	H(CCHH)	109.4621	0.046	30	109.4621	0.002	30	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[5]Pt)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[5]Pt)(CH3)3	H(CCHH)	109.4620	0.050	38	109.4620	0.002	38	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[5]W)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[5]W)(CH3)3	H(CCHH)	109.4844	0.063	9	109.4844	0.004	9	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]Cu)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]Cu)(CH3)3	H(CCHH)	109.4679	0.033	21	109.4679	0.001	21	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]O)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]O)(CH3)3	H(CCHH)	109.5383	1.290	117	109.5383	1.665	117	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]Pd)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]Pd)(CH3)3	H(CCHH)	109.4782	0.049	20	109.4782	0.002	20	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]Ru)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]Ru)(CH3)3	H(CCHH)	109.4830	0.055	8	109.4830	0.003	8	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCoC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SCoC)(CH3)3	H(CCHH)	109.4717	0.053	206	109.4717	0.003	206	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCoPt)(CCHN)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(SCoPt)(CCHN)(CH3)2	H(CCHH)	109.4271	0.201	18	109.4271	0.040	18	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCrC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SCrC)(CH3)3	H(CCHH)	109.4694	0.048	34	109.4694	0.002	34	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCu2)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SCu2)(CH3)3	H(CCHH)	109.4678	0.032	33	109.4678	0.001	33	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCuC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SCuC)(CH3)3	H(CCHH)	109.4805	0.167	19	109.4805	0.028	19	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SFe2)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SFe2)(CH3)3	H(CCHH)	109.4794	0.041	18	109.4794	0.002	18	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SFeC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SFeC)(CH3)3	H(CCHH)	109.4648	0.046	111	109.4648	0.002	111	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SFeNi)(CHHN)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(SFeNi)(CHHN)(CH3)2	H(CCHH)	111.0761	2.047	14	111.0761	4.189	14	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SIr2)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SIr2)(CH3)3	H(CCHH)	109.5012	0.227	16	109.5012	0.051	16	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SIrC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SIrC)(CH3)3	H(CCHH)	109.4608	0.053	34	109.4608	0.003	34	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SMnC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SMnC)(CH3)3	H(CCHH)	109.4799	0.053	25	109.4799	0.003	25	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SN[3]O)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SN[3]O)(CH3)3	H(CCHH)	109.4684	0.035	55	109.4684	0.001	55	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SN[5]O)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SN[5]O)(CH3)3	H(CCHH)	109.5208	0.806	61	109.5208	0.649	61	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SN[6]O)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SN[6]O)(CH3)3	H(CCHH)	109.4735	0.037	29	109.4735	0.001	29	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SNiC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SNiC)(CH3)3	H(CCHH)	109.4758	0.038	26	109.4758	0.001	26	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SPdC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SPdC)(CH3)3	H(CCHH)	109.4715	0.050	104	109.4715	0.002	104	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SPtC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SPtC)(CH3)3	H(CCHH)	109.4607	0.055	9	109.4607	0.003	9	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SReC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SReC)(CH3)3	H(CCHH)	109.5130	0.070	8	109.5130	0.005	8	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SRuC)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SRuC)(CH3)3	H(CCHH)	109.7152	0.894	33	109.7152	0.798	33	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SZr2)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SZr2)(CH3)3	H(CCHH)	109.4516	0.049	13	109.4516	0.002	13	109.5123	0.371	1163	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:C-4:C-4:	C-4:	C(CSeCC)(H)3	C(SeCuC)(CH3)3	H(CCHH)	C(CSeCC)(H)3	C(SeCuC)(CH3)3	H(CCHH)	109.5959	1.141	118	109.5959	1.301	118	109.5858	1.191	129	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Se-3:C-4:C-4:C-4:	C-4:	C(CSeCC)(H)3	C(SePt2)(CH3)3	H(CCHH)	C(CSeCC)(H)3	C(SePt2)(CH3)3	H(CCHH)	109.4775	0.048	11	109.4775	0.002	11	109.5858	1.191	129	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCC)(CH3)3	H(CCHH)	109.4685	0.142	110	109.4685	0.020	110	109.4689	0.014	166	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2)(CH3)3	H(CCHH)	109.4488	0.021	6	109.4488	0.000	6	109.4689	0.014	166	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]C)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]C)(CH3)3	H(CCHH)	109.4826	0.040	22	109.4826	0.002	22	109.4689	0.014	166	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]Si[5])(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]Si[5])(CH3)3	H(CCHH)	109.4578	0.052	9	109.4578	0.003	9	109.4689	0.014	166	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiIrC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiIrC)(CH3)3	H(CCHH)	109.4674	0.042	9	109.4674	0.002	9	109.4689	0.014	166	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-3:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiRuC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiRuC)(CH3)3	H(CCHH)	109.4669	0.044	10	109.4669	0.002	10	109.4689	0.014	166	109.5614	0.899	63558	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-5:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CSmH3)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CSmH3)(CH3)(H)	H(CCHH)	109.4157	0.034	3	109.4157	0.001	3	109.4650	0.004	6	109.4650	0.004	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-5:C-4:H-1:	C-4:	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CYbH3)(CH3)(H)	H(CCHH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CYbH3)(CH3)(H)	H(CCHH)	109.5143	0.031	3	109.5143	0.001	3	109.4650	0.004	6	109.4650	0.004	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C-5:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5])(CTmH3)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5])(CTmH3)(CH3)2	H(CCHH)	109.4657	0.048	3	109.4657	0.002	3	109.4657	0.002	3	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-5:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCaH3)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCaH3)(CH3)2	H(CCHH)	109.4707	0.032	6	109.4707	0.001	6	109.4783	0.002	22	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-5:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3U)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3U)(CH3)2	H(CCHH)	109.4927	0.047	6	109.4927	0.002	6	109.4783	0.002	22	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-5:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3Y)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3Y)(CH3)2	H(CCHH)	109.4720	0.034	4	109.4720	0.001	4	109.4783	0.002	22	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-5:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CLuH3)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CLuH3)(CH3)2	H(CCHH)	109.4758	0.049	6	109.4758	0.002	6	109.4783	0.002	22	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-5:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CIrH3)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CIrH3)(CH3)2	H(CCHH)	109.4781	0.037	8	109.4781	0.001	8	109.7106	0.910	18	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-5:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRhH3)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRhH3)(CH3)2	H(CCHH)	110.1763	1.644	6	110.1763	2.703	6	109.7106	0.910	18	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-3:C-5:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRuH3)(CH3)2	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRuH3)(CH3)2	H(CCHH)	109.4767	0.026	4	109.4767	0.001	4	109.7106	0.910	18	109.5747	0.383	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	3:5:5:4:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-5:C-5:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CTaHHN)2(CH3)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CTaHHN)2(CH3)	H(CCHH)	109.5077	0.020	3	109.5077	0.000	3	109.5077	0.000	3	109.5077	0.000	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(Cl)2(H)	C(CCl2H)(Cl)3	H(CCl2C)	C(CCl3)(Cl)2(H)	C(CCl2H)(Cl)3	H(CCl2C)	108.1046	1.193	5	108.1046	1.423	5	108.1046	1.423	5	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(CCl2H)(Cl)2(H)	C(CCl2H)(Cl)2(H)	H(CCl2C)	C(CCl2H)(Cl)2(H)	C(CCl2H)(Cl)2(H)	H(CCl2C)	108.4539	0.959	52	108.4539	0.919	52	108.4539	0.919	52	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(Cl)2(H)	C(CCl2H)(Cl)(H)2	H(CCl2C)	C(CClHH)(Cl)2(H)	C(CCl2H)(Cl)(H)2	H(CCl2C)	108.3847	1.527	9	108.3847	2.332	9	108.3847	2.332	9	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(Cl)2(H)	C(CCl2H)(H)3	H(CCl2C)	C(CH3)(Cl)2(H)	C(CCl2H)(H)3	H(CCl2C)	114.7215	1.389	2	114.7215	1.931	2	114.7215	1.931	2	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(Cl)(H)2	C(CClHH)(Cl)3	H(CClCH)	C(CCl3)(Cl)(H)2	C(CClHH)(Cl)3	H(CClCH)	109.1272	0.258	5	109.1272	0.066	5	109.1272	0.066	5	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(CCl2H)(Cl)(H)2	C(CClHH)(Cl)2(H)	H(CClCH)	C(CCl2H)(Cl)(H)2	C(CClHH)(Cl)2(H)	H(CClCH)	109.4322	1.194	16	109.4322	1.427	16	109.4322	1.427	16	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(Cl)(H)2	C(CClHH)(Cl)(H)2	H(CClCH)	C(CClHH)(Cl)(H)2	C(CClHH)(Cl)(H)2	H(CClCH)	109.1739	1.550	584	109.1739	2.402	584	109.1739	2.402	584	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(Cl)(H)2	C(CClHH)(H)3	H(CClCH)	C(CH3)(Cl)(H)2	C(CClHH)(H)3	H(CClCH)	112.4974	2.137	8	112.4974	4.566	8	112.4974	4.566	8	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(H)3	C(CH3)(Cl)3	H(CCHH)	C(CCl3)(H)3	C(CH3)(Cl)3	H(CCHH)	108.6521	1.557	14	108.6521	2.423	14	108.6521	2.423	14	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(CCl2H)(H)3	C(CH3)(Cl)2(H)	H(CCHH)	C(CCl2H)(H)3	C(CH3)(Cl)2(H)	H(CCHH)	108.0002	1.541	4	108.0002	2.373	4	108.0002	2.373	4	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(H)3	C(CH3)(Cl)(H)2	H(CCHH)	C(CClHH)(H)3	C(CH3)(Cl)(H)2	H(CCHH)	109.3118	2.783	13	109.3118	7.745	13	109.3118	7.745	13	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CHHI)(H)3	C(CH3)(H)2(I)	H(CCHH)	C(CHHI)(H)3	C(CH3)(H)2(I)	H(CCHH)	109.4170	0.044	5	109.4170	0.002	5	109.4170	0.002	5	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:	C(CHHN)(H)3	C(CH3)(H)2(N)	H(CCHH)	C(CHHN)(H)3	C(CH3)(H)2(N)	H(CCHH)	109.3910	8.783	3	109.3910	77.142	3	109.3910	77.142	3	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(H)3	C(CH3)(H)2(O)	H(CCHH)	C(CHHO)(H)3	C(CH3)(H)2(O)	H(CCHH)	109.7032	1.898	169	109.7032	3.601	169	109.7032	3.601	169	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(H)2(I)	C(CHHI)(F)3	H(CCHI)	C(CF3)(H)2(I)	C(CHHI)(F)3	H(CCHI)	110.1902	0.820	4	110.1902	0.673	4	110.1902	0.673	4	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(H)2(I)	C(CHHI)(H)3	H(CCHI)	C(CH3)(H)2(I)	C(CHHI)(H)3	H(CCHI)	109.5500	0.085	4	109.5500	0.007	4	109.5500	0.007	4	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:N-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(H)2(N)	C(CHHN)(H)3	H(CCHN)	C(CH3)(H)2(N)	C(CHHN)(H)3	H(CCHN)	82.9847	4.373	2	82.9847	19.122	2	82.9847	19.122	2	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:N-1:	C-4:H-1:H-1:N-1:	C-4:	C(CHHN)(H)2(N)	C(CHHN)(H)2(N)	H(CCHN)	C(CHHN)(H)2(N)	C(CHHN)(H)2(N)	H(CCHN)	108.9992	0.740	14	108.9992	0.547	14	108.9992	0.547	14	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(H)2(O)	C(CHHO)(F)3	H(CCHO)	C(CF3)(H)2(O)	C(CHHO)(F)3	H(CCHO)	108.7365	0.555	4	108.7365	0.308	4	108.7365	0.308	4	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(H)2(O)	C(CHHO)(H)3	H(CCHO)	C(CH3)(H)2(O)	C(CHHO)(H)3	H(CCHO)	108.5537	2.396	116	108.5537	5.739	116	108.5537	5.739	116	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(H)2(O)	C(CHHO)(H)2(O)	H(CCHO)	C(CHHO)(H)2(O)	C(CHHO)(H)2(O)	H(CCHO)	109.0805	0.339	2	109.0805	0.115	2	109.0805	0.115	2	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:H-1:H-1:S-1:	C-4:	C(CHHS)(H)2(S)	C(CHHS)(H)2(S)	H(CCHS)	C(CHHS)(H)2(S)	C(CHHS)(H)2(S)	H(CCHS)	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	109.1252	4.612	1036	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(Br)(H)2	C(CBrHH)(OC)(H)2	H(CBrCH)	C(CHHO)(Br)(H)2	C(CBrHH)(OC)(H)2	H(CBrCH)	110.3213	2.877	26	110.3213	8.276	26	110.2175	7.488	29	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(Br)(H)2	C(CBrHH)(OC[6])(H)2	H(CBrCH)	C(CHHO)(Br)(H)2	C(CBrHH)(OC[6])(H)2	H(CBrCH)	109.3177	0.163	3	109.3177	0.027	3	110.2175	7.488	29	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(Br)(H)2	C(CBrHH)(SC[5])(H)2	H(CBrCH)	C(CHHS)(Br)(H)2	C(CBrHH)(SC[5])(H)2	H(CBrCH)	109.6297	0.172	6	109.6297	0.030	6	109.6297	0.030	6	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:C-1:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(C)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(C)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.0730	0.040	2	109.0730	0.002	2	109.0730	0.002	2	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:S-2:Cl-1:Cl-1:	C-4:	C(CCl2S)(Cl)2(H)	C(CCl2H)(SN[5])(Cl)2	H(CCl2C)	C(CCl2S)(Cl)2(H)	C(CCl2H)(SN[5])(Cl)2	H(CCl2C)	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NC)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NC)(H)2	H(CClCH)	111.5035	0.217	2	111.5035	0.047	2	111.5035	0.047	2	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(Cl)(H)2	C(CClHH)(OC)(H)2	H(CClCH)	C(CHHO)(Cl)(H)2	C(CClHH)(OC)(H)2	H(CClCH)	110.0348	2.290	22	110.0348	5.242	22	109.5842	2.794	48	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(Cl)(H)2	C(CClHH)(OC[5])(H)2	H(CClCH)	C(CHHO)(Cl)(H)2	C(CClHH)(OC[5])(H)2	H(CClCH)	108.0170	0.317	2	108.0170	0.100	2	109.5842	2.794	48	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(Cl)(H)2	C(CClHH)(OC[6])(H)2	H(CClCH)	C(CHHO)(Cl)(H)2	C(CClHH)(OC[6])(H)2	H(CClCH)	109.4965	1.582	4	109.4965	2.501	4	109.5842	2.794	48	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(Cl)(H)2	C(CClHH)(OP)(H)2	H(CClCH)	C(CHHO)(Cl)(H)2	C(CClHH)(OP)(H)2	H(CClCH)	109.2697	0.342	19	109.2697	0.117	19	109.5842	2.794	48	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(Cl)(H)2	C(CClHH)(OS)(H)2	H(CClCH)	C(CHHO)(Cl)(H)2	C(CClHH)(OS)(H)2	H(CClCH)	109.1310	0.000	1	109.1310	0.000	1	109.5842	2.794	48	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(Cl)(H)2	C(CClHH)(SC)(H)2	H(CClCH)	C(CHHS)(Cl)(H)2	C(CClHH)(SC)(H)2	H(CClCH)	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(F)2(H)	C(CFFH)(OC)(H)2	H(CCFF)	C(CHHO)(F)2(H)	C(CFFH)(OC)(H)2	H(CCFF)	111.1528	1.544	9	111.1528	2.384	9	110.8603	2.088	12	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(F)2(H)	C(CFFH)(OH)(H)2	H(CCFF)	C(CHHO)(F)2(H)	C(CFFH)(OH)(H)2	H(CCFF)	109.9827	0.637	3	109.9827	0.406	3	110.8603	2.088	12	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(F)(H)2	C(CFHH)(OC)(H)2	H(CCFH)	C(CHHO)(F)(H)2	C(CFHH)(OC)(H)2	H(CCFH)	109.5790	0.732	6	109.5790	0.535	6	109.4031	0.489	8	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(F)(H)2	C(CFHH)(OPd)(H)2	H(CCFH)	C(CHHO)(F)(H)2	C(CFHH)(OPd)(H)2	H(CCFH)	108.8755	0.076	2	108.8755	0.006	2	109.4031	0.489	8	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CC)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CC)(H)2	H(CCHH)	109.7770	0.713	32	109.7770	0.509	32	109.6441	0.316	163	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CMo)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CMo)(H)2	H(CCHH)	109.4733	0.035	6	109.4733	0.001	6	109.6441	0.316	163	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CN)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CN)(H)2	H(CCHH)	109.6219	0.535	122	109.6219	0.286	122	109.6441	0.316	163	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CO)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CO)(H)2	H(CCHH)	109.4710	0.083	3	109.4710	0.007	3	109.6441	0.316	163	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NC)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NC)(H)2	H(CCHH)	109.3626	4.903	86	109.3626	24.035	86	109.3695	22.451	92	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NMo)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NMo)(H)2	H(CCHH)	109.4677	0.045	6	109.4677	0.002	6	109.3695	22.451	92	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OAl)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OAl)(H)2	H(CCHH)	109.4805	0.026	4	109.4805	0.001	4	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OB)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OB)(H)2	H(CCHH)	109.4670	0.035	8	109.4670	0.001	8	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OC)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OC)(H)2	H(CCHH)	109.4992	0.937	20733	109.4992	0.879	20733	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OCa)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OCa)(H)2	H(CCHH)	109.4343	0.013	3	109.4343	0.000	3	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OCu)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OCu)(H)2	H(CCHH)	109.4809	0.052	12	109.4809	0.003	12	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OFe)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OFe)(H)2	H(CCHH)	109.4810	0.046	6	109.4810	0.002	6	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OH)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OH)(H)2	H(CCHH)	109.4980	0.709	2439	109.4980	0.503	2439	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OMn)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OMn)(H)2	H(CCHH)	109.4759	0.043	8	109.4759	0.002	8	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OMo)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OMo)(H)2	H(CCHH)	109.8485	1.638	6	109.8485	2.682	6	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(ON)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(ON)(H)2	H(CCHH)	109.4752	0.052	25	109.4752	0.003	25	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(ONb)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(ONb)(H)2	H(CCHH)	109.4470	0.048	2	109.4470	0.002	2	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(ONi)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(ONi)(H)2	H(CCHH)	109.7142	2.796	12	109.7142	7.819	12	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OO)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OO)(H)2	H(CCHH)	109.4667	0.060	9	109.4667	0.004	9	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OP)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OP)(H)2	H(CCHH)	109.4685	1.351	2044	109.4685	1.826	2044	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OPt)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OPt)(H)2	H(CCHH)	109.4705	0.035	2	109.4705	0.001	2	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(ORe)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(ORe)(H)2	H(CCHH)	109.4919	0.043	12	109.4919	0.002	12	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(ORu)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(ORu)(H)2	H(CCHH)	109.3925	0.079	6	109.3925	0.006	6	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OS)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OS)(H)2	H(CCHH)	109.3704	2.552	33	109.3704	6.511	33	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OSb)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OSb)(H)2	H(CCHH)	109.8679	4.321	28	109.8679	18.674	28	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OSi)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OSi)(H)2	H(CCHH)	109.4712	0.148	49	109.4712	0.022	49	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OSn)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OSn)(H)2	H(CCHH)	109.4373	0.354	34	109.4373	0.125	34	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OTi)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OTi)(H)2	H(CCHH)	109.4727	0.009	3	109.4727	0.000	3	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OV)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OV)(H)2	H(CCHH)	109.4727	0.058	3	109.4727	0.003	3	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OZn)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OZn)(H)2	H(CCHH)	109.4842	0.098	6	109.4842	0.010	6	109.4968	0.942	25487	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-2:H-1:H-1:	C-4:	C(CHHP)(H)3	C(CH3)(PO)(H)2	H(CCHH)	C(CHHP)(H)3	C(CH3)(PO)(H)2	H(CCHH)	108.9233	4.073	3	108.9233	16.592	3	108.9233	16.592	3	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SB)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SB)(H)2	H(CCHH)	109.4724	0.035	27	109.4724	0.001	27	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SC)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SC)(H)2	H(CCHH)	109.4791	0.641	235	109.4791	0.411	235	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SFe)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SFe)(H)2	H(CCHH)	109.6307	3.617	36	109.6307	13.085	36	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SIn)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SIn)(H)2	H(CCHH)	109.5293	0.083	3	109.5293	0.007	3	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SMo)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SMo)(H)2	H(CCHH)	109.9047	0.672	7	109.9047	0.451	7	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SNi)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SNi)(H)2	H(CCHH)	109.4855	0.029	2	109.4855	0.001	2	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SP)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SP)(H)2	H(CCHH)	109.4767	0.041	3	109.4767	0.002	3	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SPd)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SPd)(H)2	H(CCHH)	109.4690	0.088	3	109.4690	0.008	3	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SPt)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SPt)(H)2	H(CCHH)	109.4460	0.018	3	109.4460	0.000	3	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SRe)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SRe)(H)2	H(CCHH)	109.9922	1.031	9	109.9922	1.063	9	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SS)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SS)(H)2	H(CCHH)	109.4617	0.016	3	109.4617	0.000	3	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SZn)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SZn)(H)2	H(CCHH)	109.4846	0.092	5	109.4846	0.008	5	109.5174	1.700	336	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)2(I)	C(CHHI)(OC)(H)2	H(CCHI)	C(CHHO)(H)2(I)	C(CHHI)(OC)(H)2	H(CCHI)	109.6145	0.477	6	109.6145	0.228	6	109.6145	0.228	6	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:N-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(H)2(N)	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(H)2(N)	C(CHHN)(NC)(H)2	H(CCHN)	109.2975	0.284	4	109.2975	0.081	4	109.2975	0.081	4	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)2(O)	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(H)2(O)	C(CHHO)(OC)(H)2	H(CCHO)	113.7862	3.274	4	113.7862	10.718	4	111.4334	10.939	8	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)2(O)	C(CHHO)(OPt)(H)2	H(CCHO)	C(CHHO)(H)2(O)	C(CHHO)(OPt)(H)2	H(CCHO)	109.0805	0.211	4	109.0805	0.044	4	111.4334	10.939	8	109.4997	1.039	26208	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CC)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CC)(OH)(H)	H(CCHH)	109.4711	0.022	95	109.4711	0.000	95	109.4711	0.000	95	109.4675	0.115	100	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(H)3	C(CH3)(OC)2(H)	H(CCHH)	C(CHOO)(H)3	C(CH3)(OC)2(H)	H(CCHH)	109.3990	1.685	5	109.3990	2.838	5	109.3990	2.838	5	109.4675	0.115	100	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:Br-1:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(Br)(H)2	C(CBrHH)(OC[6])(CH3)(H)	H(CBrCH)	C(CCHO)(Br)(H)2	C(CBrHH)(OC[6])(CH3)(H)	H(CBrCH)	109.5545	0.022	2	109.5545	0.000	2	109.5545	0.000	2	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-2:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6]HH)(NC[6a])(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6]HH)(NC[6a])(CH3)(H)	H(CCHH)	110.6887	5.378	3	110.6887	28.924	3	110.6887	28.924	3	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CBrHH)(OC[6])(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CBrHH)(OC[6])(CH3)(H)	H(CCHH)	109.4707	0.049	3	109.4707	0.002	3	109.5783	0.082	12	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]HO)(OC[6a])(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]HO)(OC[6a])(CH3)(H)	H(CCHH)	109.4608	0.045	6	109.4608	0.002	6	109.5783	0.082	12	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]HO)(ON[6])(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]HO)(ON[6])(CH3)(H)	H(CCHH)	109.9207	0.460	3	109.9207	0.212	3	109.5783	0.082	12	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CC[6a]HN)(SC[6a])(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CC[6a]HN)(SC[6a])(CH3)(H)	H(CCHH)	109.4810	0.021	3	109.4810	0.000	3	109.4637	0.001	6	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CN[5]CH)(SC[6])(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CN[5]CH)(SC[6])(CH3)(H)	H(CCHH)	109.4463	0.037	3	109.4463	0.001	3	109.4637	0.001	6	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(CSeCH)(H)3	C(CCHN)(SeSe)(CH3)(H)	H(CCHH)	C(CSeCH)(H)3	C(CCHN)(SeSe)(CH3)(H)	H(CCHH)	109.4572	0.078	5	109.4572	0.006	5	109.4572	0.006	5	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	H(CCHH)	109.4688	0.030	6	109.4688	0.001	6	109.4688	0.001	6	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:S-2:C-4:H-1:	C-4:	C(CC[5]HS)(H)3	C(C[5]C[5]2Fe)(SC[6a])(CH3)(H)	H(CCHH)	C(CC[5]HS)(H)3	C(C[5]C[5]2Fe)(SC[6a])(CH3)(H)	H(CCHH)	109.4685	0.028	2	109.4685	0.001	2	109.4685	0.001	2	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-2:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(NC[6])(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(NC[6])(CH3)(H)	H(CCHH)	109.4938	0.036	6	109.4938	0.001	6	109.4938	0.001	6	109.5927	1.531	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-2:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CBrCH)(OC[6])(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CBrCH)(OC[6])(CH3)2	H(CCHH)	109.4888	0.053	5	109.4888	0.003	5	109.4888	0.003	5	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:O-2:C-4:C-4:	C-4:	C(CC[3]CO)(H)3	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	H(CCHH)	C(CC[3]CO)(H)3	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	H(CCHH)	109.4740	0.021	5	109.4740	0.000	5	109.4740	0.000	5	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:O-2:C-4:C-4:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	H(CCHH)	109.4770	0.043	5	109.4770	0.002	5	109.4770	0.002	5	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:O-2:C-4:C-4:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	H(CCHH)	109.4850	0.037	13	109.4850	0.001	13	109.4710	0.356	27	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:O-2:C-4:C-4:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(OC[6a])(CH3)2	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(OC[6a])(CH3)2	H(CCHH)	109.4766	0.013	8	109.4766	0.000	8	109.4710	0.356	27	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:O-2:C-4:C-4:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	H(CCHH)	109.4330	1.358	6	109.4330	1.844	6	109.4710	0.356	27	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:S-2:C-4:C-4:	C-4:	C(CC[5]CS)(H)3	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	H(CCHH)	C(CC[5]CS)(H)3	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	H(CCHH)	109.4855	0.042	15	109.4855	0.002	15	109.4855	0.002	15	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:2:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:O-2:C-4:C-4:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	H(CCHH)	109.4775	0.080	6	109.4775	0.006	6	109.4775	0.006	6	109.4772	0.150	63	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CBrHH)(CNO)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CBrHH)(CNO)(H)2	H(CBrCH)	109.5650	0.010	2	109.5650	0.000	2	109.5650	0.000	2	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Br)(H)2	C(CBrHH)(NCS)(H)2	H(CBrCH)	C(CHHN)(Br)(H)2	C(CBrHH)(NCS)(H)2	H(CBrCH)	109.6310	0.054	2	109.6310	0.003	2	109.6310	0.003	2	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(Cl)(H)2	C(CClHH)(CClH)(Cl)(H)	H(CClCH)	C(CClCH)(Cl)(H)2	C(CClHH)(CClH)(Cl)(H)	H(CClCH)	113.9535	8.868	2	113.9535	78.638	2	113.9535	78.638	2	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CNO)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CNO)(H)2	H(CClCH)	109.6068	0.604	18	109.6068	0.365	18	109.5950	0.186	40	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(COO)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(COO)(H)2	H(CClCH)	109.5854	0.224	22	109.5854	0.050	22	109.5950	0.186	40	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCC)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCC)(H)2	H(CClCH)	109.4068	0.169	18	109.4068	0.029	18	109.5218	0.217	51	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCH)(H)2	H(CClCH)	109.7949	0.802	11	109.7949	0.644	11	109.5218	0.217	51	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCN)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCN)(H)2	H(CClCH)	109.3770	0.224	3	109.3770	0.050	3	109.5218	0.217	51	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCP)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCP)(H)2	H(CClCH)	109.6333	0.245	4	109.6333	0.060	4	109.5218	0.217	51	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCS)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCS)(H)2	H(CClCH)	109.4943	0.489	9	109.4943	0.240	9	109.5218	0.217	51	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NHS)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NHS)(H)2	H(CClCH)	109.2160	0.091	4	109.2160	0.008	4	109.5218	0.217	51	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NReC)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NReC)(H)2	H(CClCH)	109.7835	0.016	2	109.7835	0.000	2	109.5218	0.217	51	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(Cl)(H)2	C(CClHH)(SCS)(H)2	H(CClCH)	C(CHHS)(Cl)(H)2	C(CClHH)(SCS)(H)2	H(CClCH)	109.4440	0.000	1	109.4440	0.000	1	109.1203	0.079	3	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(Cl)(H)2	C(CClHH)(SIr2)(H)2	H(CClCH)	C(CHHS)(Cl)(H)2	C(CClHH)(SIr2)(H)2	H(CClCH)	108.9585	0.029	2	108.9585	0.001	2	109.1203	0.079	3	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(F)(H)2	C(CFHH)(NCH)(H)2	H(CCFH)	C(CHHN)(F)(H)2	C(CFHH)(NCH)(H)2	H(CCFH)	111.3855	0.436	2	111.3855	0.190	2	110.5815	0.926	4	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(F)(H)2	C(CFHH)(NHS)(H)2	H(CCFH)	C(CHHN)(F)(H)2	C(CFHH)(NHS)(H)2	H(CCFH)	109.7775	0.032	2	109.7775	0.001	2	110.5815	0.926	4	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:B-3:H-1:H-1:	C-4:	C(CBHH)(H)3	C(CH3)(BCC)(H)2	H(CCHH)	C(CBHH)(H)3	C(CH3)(BCC)(H)2	H(CCHH)	109.4503	0.051	10	109.4503	0.003	10	109.4670	0.003	13	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:B-3:H-1:H-1:	C-4:	C(CBHH)(H)3	C(CH3)(BCW)(H)2	H(CCHH)	C(CBHH)(H)3	C(CH3)(BCW)(H)2	H(CCHH)	109.5227	0.049	3	109.5227	0.002	3	109.4670	0.003	13	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CH3)(CCH)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CH3)(CCH)(Br)(H)	H(CCHH)	109.5037	0.017	3	109.5037	0.000	3	109.4720	0.009	6	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CH3)(COO)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CH3)(COO)(Br)(H)	H(CCHH)	109.4403	0.141	3	109.4403	0.020	3	109.4720	0.009	6	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CH3)(CNO)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CH3)(CNO)(Cl)(H)	H(CCHH)	109.4730	0.038	3	109.4730	0.001	3	109.4517	0.003	12	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CH3)(COO)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CH3)(COO)(Cl)(H)	H(CCHH)	109.4446	0.056	9	109.4446	0.003	9	109.4517	0.003	12	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CH3)(CNO)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CH3)(CNO)(F)(H)	H(CCHH)	109.4657	0.024	4	109.4657	0.001	4	109.4722	0.000	6	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CH3)(COS)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CH3)(COS)(F)(H)	H(CCHH)	109.4850	0.006	2	109.4850	0.000	2	109.4722	0.000	6	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CBC)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CBC)(H)2	H(CCHH)	109.4700	0.037	3	109.4700	0.001	3	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCC)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCC)(H)2	H(CCHH)	109.5125	0.611	181	109.5125	0.373	181	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCH)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCH)(H)2	H(CCHH)	109.4774	0.552	106	109.4774	0.305	106	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCI)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCI)(H)2	H(CCHH)	107.7217	1.232	3	107.7217	1.518	3	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCN)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCN)(H)2	H(CCHH)	109.6569	0.522	173	109.6569	0.273	173	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCO)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCO)(H)2	H(CCHH)	109.6571	0.845	159	109.6571	0.713	159	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCP)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCP)(H)2	H(CCHH)	109.4858	0.040	10	109.4858	0.002	10	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCS)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCS)(H)2	H(CCHH)	110.3614	1.699	8	110.3614	2.888	8	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CCW)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CCW)(H)2	H(CCHH)	109.4397	0.064	3	109.4397	0.004	3	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CHH)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CHH)(H)2	H(CCHH)	109.4434	0.361	69	109.4434	0.130	69	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CHN)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CHN)(H)2	H(CCHH)	109.1602	1.082	9	109.1602	1.170	9	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CHO)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CHO)(H)2	H(CCHH)	109.4485	0.048	6	109.4485	0.002	6	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CHP)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CHP)(H)2	H(CCHH)	109.4735	0.005	2	109.4735	0.000	2	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CNN)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CNN)(H)2	H(CCHH)	109.4706	0.042	139	109.4706	0.002	139	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CNO)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CNO)(H)2	H(CCHH)	109.5616	1.503	284	109.5616	2.260	284	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CNS)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CNS)(H)2	H(CCHH)	109.5071	0.252	12	109.5071	0.063	12	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CNW)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CNW)(H)2	H(CCHH)	109.4372	0.029	6	109.4372	0.001	6	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(COO)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(COO)(H)2	H(CCHH)	109.6003	0.994	243	109.6003	0.989	243	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)(CSS)(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)(CSS)(H)2	H(CCHH)	109.3572	0.278	20	109.3572	0.077	20	109.5560	0.840	1436	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NBC)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NBC)(H)2	H(CCHH)	109.4732	0.037	41	109.4732	0.001	41	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NCC)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NCC)(H)2	H(CCHH)	109.5261	0.710	2861	109.5261	0.504	2861	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NCH)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NCH)(H)2	H(CCHH)	109.5156	0.726	627	109.5156	0.527	627	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NCN)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NCN)(H)2	H(CCHH)	109.9812	2.005	19	109.9812	4.019	19	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NCO)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NCO)(H)2	H(CCHH)	109.4784	0.050	12	109.4784	0.002	12	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NCP)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NCP)(H)2	H(CCHH)	109.5807	1.018	446	109.5807	1.037	446	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NCS)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NCS)(H)2	H(CCHH)	109.7351	1.821	40	109.7351	3.315	40	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NCW)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NCW)(H)2	H(CCHH)	110.0172	5.590	6	110.0172	31.250	6	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NHH)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NHH)(H)2	H(CCHH)	109.7167	1.121	3	109.7167	1.257	3	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NHP)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NHP)(H)2	H(CCHH)	109.5351	0.666	9	109.5351	0.443	9	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NNP)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NNP)(H)2	H(CCHH)	109.4340	0.038	4	109.4340	0.001	4	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NOO)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NOO)(H)2	H(CCHH)	109.5165	0.035	2	109.5165	0.001	2	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NPP)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NPP)(H)2	H(CCHH)	109.4736	0.037	18	109.4736	0.001	18	109.5344	0.637	4088	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OBC)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OBC)(H)2	H(CCHH)	109.7071	1.169	16	109.7071	1.366	16	109.3904	3.102	42	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OCH)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OCH)(H)2	H(CCHH)	109.4677	0.037	3	109.4677	0.001	3	109.3904	3.102	42	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OCV)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OCV)(H)2	H(CCHH)	108.9553	2.805	14	108.9553	7.871	14	109.3904	3.102	42	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OCW)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OCW)(H)2	H(CCHH)	109.4567	0.017	4	109.4567	0.000	4	109.3904	3.102	42	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OHH)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OHH)(H)2	H(CCHH)	109.5127	0.107	3	109.5127	0.012	3	109.3904	3.102	42	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(H)3	C(CH3)(OVV)(H)2	H(CCHH)	C(CHHO)(H)3	C(CH3)(OVV)(H)2	H(CCHH)	109.4700	0.007	2	109.4700	0.000	2	109.3904	3.102	42	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(H)3	C(CH3)(PCC)(H)2	H(CCHH)	C(CHHP)(H)3	C(CH3)(PCC)(H)2	H(CCHH)	109.7013	1.423	17	109.7013	2.026	17	109.5824	0.968	35	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(H)3	C(CH3)(PCN)(H)2	H(CCHH)	C(CHHP)(H)3	C(CH3)(PCN)(H)2	H(CCHH)	109.4917	0.026	4	109.4917	0.001	4	109.5824	0.968	35	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(H)3	C(CH3)(PPP)(H)2	H(CCHH)	C(CHHP)(H)3	C(CH3)(PPP)(H)2	H(CCHH)	109.4639	0.040	14	109.4639	0.002	14	109.5824	0.968	35	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SCC)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SCC)(H)2	H(CCHH)	110.6869	2.930	9	110.6869	8.583	9	109.7756	2.248	36	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SCI)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SCI)(H)2	H(CCHH)	109.4621	0.042	12	109.4621	0.002	12	109.7756	2.248	36	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SCO)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SCO)(H)2	H(CCHH)	109.4837	0.031	6	109.4837	0.001	6	109.7756	2.248	36	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SCV)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SCV)(H)2	H(CCHH)	109.4794	0.022	5	109.4794	0.000	5	109.7756	2.248	36	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SWW)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SWW)(H)2	H(CCHH)	109.4740	0.057	4	109.4740	0.003	4	109.7756	2.248	36	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:N-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)2(N)	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(H)2(N)	C(CHHN)(NCC)(H)2	H(CCHN)	110.3645	0.042	2	110.3645	0.002	2	109.8007	0.429	4	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:N-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)2(N)	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(H)2(N)	C(CHHN)(NCH)(H)2	H(CCHN)	109.2370	0.123	2	109.2370	0.015	2	109.8007	0.429	4	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)2(O)	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(H)2(O)	C(CHHO)(NCC)(H)2	H(CCHO)	110.6180	0.000	1	110.6180	0.000	1	110.3047	0.074	3	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(H)2(O)	C(CHHO)(NCH)(H)2	H(CCHO)	C(CHHN)(H)2(O)	C(CHHO)(NCH)(H)2	H(CCHO)	110.1480	0.006	2	110.1480	0.000	2	110.3047	0.074	3	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)2(S)	C(CHHS)(COO)(H)2	H(CCHS)	C(CCHH)(H)2(S)	C(CHHS)(COO)(H)2	H(CCHS)	109.3230	0.384	6	109.3230	0.147	6	109.3230	0.147	6	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:I-1:I-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)(I)2	C(CHII)(COO)(H)2	H(CCII)	C(CCHH)(H)(I)2	C(CHII)(COO)(H)2	H(CCII)	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	109.5426	0.726	5792	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(Br)(H)2	C(CBrHH)(COO)(NC)(H)	H(CBrCH)	C(CCHN)(Br)(H)2	C(CBrHH)(COO)(NC)(H)	H(CBrCH)	109.6640	0.021	2	109.6640	0.000	2	109.6640	0.000	2	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CCH)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CCH)(OH)(H)	H(CClCH)	111.4910	2.062	2	111.4910	4.252	2	111.4910	4.252	2	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(F)2(H)	C(CFFH)(COO)(OH)(H)	H(CCFF)	C(CCHO)(F)2(H)	C(CFFH)(COO)(OH)(H)	H(CCFF)	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CCN)(NN)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CCN)(NN)(H)	H(CCHH)	109.4937	0.020	3	109.4937	0.000	3	109.2967	1.000	58	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CHH)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CHH)(NC)(H)	H(CCHH)	106.8410	3.290	3	106.8410	10.826	3	109.2967	1.000	58	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NC)(H)	H(CCHH)	109.3439	0.969	18	109.3439	0.938	18	109.2967	1.000	58	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NN)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NN)(H)	H(CCHH)	109.4120	0.154	3	109.4120	0.024	3	109.2967	1.000	58	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NS)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NS)(H)	H(CCHH)	109.5130	0.037	3	109.5130	0.001	3	109.2967	1.000	58	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(COO)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(COO)(NC)(H)	H(CCHH)	109.4764	0.042	20	109.4764	0.002	20	109.2967	1.000	58	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(COO)(NP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(COO)(NP)(H)	H(CCHH)	109.4641	0.045	8	109.4641	0.002	8	109.2967	1.000	58	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CCC)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CCC)(OC)(H)	H(CCHH)	109.4763	0.022	6	109.4763	0.001	6	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CCH)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CCH)(OC)(H)	H(CCHH)	109.4737	0.045	30	109.4737	0.002	30	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CCH)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CCH)(OH)(H)	H(CCHH)	109.4682	0.045	12	109.4682	0.002	12	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CCI)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CCI)(OH)(H)	H(CCHH)	109.5037	0.035	3	109.5037	0.001	3	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CCO)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CCO)(OC)(H)	H(CCHH)	109.4623	0.032	6	109.4623	0.001	6	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CCO)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CCO)(OH)(H)	H(CCHH)	109.4354	0.096	12	109.4354	0.009	12	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CHH)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CHH)(OH)(H)	H(CCHH)	111.9075	4.490	6	111.9075	20.162	6	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CHH)(OP)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CHH)(OP)(H)	H(CCHH)	109.4860	0.037	2	109.4860	0.001	2	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CNO)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CNO)(OC)(H)	H(CCHH)	109.4649	0.040	34	109.4649	0.002	34	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CNO)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CNO)(OH)(H)	H(CCHH)	109.4742	0.047	22	109.4742	0.002	22	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CNO)(OS)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CNO)(OS)(H)	H(CCHH)	109.4750	0.043	6	109.4750	0.002	6	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(CNO)(OSi)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(CNO)(OSi)(H)	H(CCHH)	109.5227	0.037	3	109.5227	0.001	3	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(COO)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(COO)(OC)(H)	H(CCHH)	109.4686	0.565	40	109.4686	0.319	40	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(COO)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(COO)(OH)(H)	H(CCHH)	109.5942	0.722	48	109.5942	0.521	48	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(COO)(OS)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(COO)(OS)(H)	H(CCHH)	109.4670	0.014	2	109.4670	0.000	2	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)(COO)(OSn)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)(COO)(OSn)(H)	H(CCHH)	109.4463	0.029	3	109.4463	0.001	3	109.5566	0.738	235	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)(CCH)(SC)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)(CCH)(SC)(H)	H(CCHH)	109.4453	0.100	3	109.4453	0.010	3	108.8967	1.052	9	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)(CCN)(SH)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)(CCN)(SH)(H)	H(CCHH)	107.7870	1.195	3	107.7870	1.428	3	108.8967	1.052	9	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)(COO)(SC)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)(COO)(SC)(H)	H(CCHH)	109.4577	0.027	3	109.4577	0.001	3	108.8967	1.052	9	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(NCH)(CC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(NCH)(CC)(H)	H(CCHH)	109.4680	0.014	2	109.4680	0.000	2	111.2388	36.629	5	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(NCH)(CH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(NCH)(CH)(H)	H(CCHH)	112.4193	8.248	3	112.4193	68.031	3	111.2388	36.629	5	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:O-2:H-1:	C-4:	C(CHNO)(H)3	C(CH3)(NCH)(OH)(H)	H(CCHH)	C(CHNO)(H)3	C(CH3)(NCH)(OH)(H)	H(CCHH)	109.4843	0.008	3	109.4843	0.000	3	109.4843	0.000	3	109.5445	1.409	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-2:N-2:	C-4:	C(CCCN)(H)3	C(CH3)(CNO)(CN)(NC)	H(CCHH)	C(CCCN)(H)3	C(CH3)(CNO)(CN)(NC)	H(CCHH)	109.4617	0.029	3	109.4617	0.001	3	109.4617	0.001	3	109.4617	0.001	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(Br)(H)2	C(CBrHH)(CCH)(NCH)(H)	H(CBrCH)	C(CCHN)(Br)(H)2	C(CBrHH)(CCH)(NCH)(H)	H(CBrCH)	109.3470	0.033	2	109.3470	0.001	2	109.3470	0.001	2	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:F-1:	C-4:	C(CCCF)(H)3	C(CH3)(CCO)(COO)(F)	H(CCHH)	C(CCCF)(H)3	C(CH3)(CCO)(COO)(F)	H(CCHH)	109.4507	0.023	3	109.4507	0.001	3	109.4507	0.001	3	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CCC)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CCC)(CCH)(H)	H(CCHH)	109.4830	0.028	2	109.4830	0.001	2	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CCH)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CCH)(CCO)(H)	H(CCHH)	109.4540	0.036	3	109.4540	0.001	3	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CCH)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CCH)(CNO)(H)	H(CCHH)	109.5933	1.144	6	109.5933	1.310	6	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CCN)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CCN)(CNO)(H)	H(CCHH)	109.4785	0.032	2	109.4785	0.001	2	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CCN)2(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CCN)2(H)	H(CCHH)	109.4927	0.025	3	109.4927	0.001	3	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CCO)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CCO)(CNO)(H)	H(CCHH)	109.4360	0.048	2	109.4360	0.002	2	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CCO)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CCO)(COO)(H)	H(CCHH)	109.4862	1.370	6	109.4862	1.877	6	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CNO)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CNO)(COO)(H)	H(CCHH)	109.3257	1.787	3	109.3257	3.193	3	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(CNO)2(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(CNO)2(H)	H(CCHH)	106.8305	0.572	2	106.8305	0.327	2	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)(COO)2(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)(COO)2(H)	H(CCHH)	109.4500	0.000	1	109.4500	0.000	1	109.3067	1.240	30	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CCH)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CCH)(NCC)(H)	H(CCHH)	109.4510	0.028	2	109.4510	0.001	2	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CCH)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CCH)(NCH)(H)	H(CCHH)	109.4645	0.041	6	109.4645	0.002	6	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CCH)(NCS)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CCH)(NCS)(H)	H(CCHH)	109.4230	0.022	3	109.4230	0.000	3	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CCH)(NHN)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CCH)(NHN)(H)	H(CCHH)	109.4427	0.019	3	109.4427	0.000	3	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CHH)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CHH)(NCH)(H)	H(CCHH)	101.9129	5.951	3	101.9129	35.412	3	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CHH)(NCP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CHH)(NCP)(H)	H(CCHH)	109.1460	2.900	6	109.1460	8.410	6	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CHN)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CHN)(NCH)(H)	H(CCHH)	109.4810	0.028	2	109.4810	0.001	2	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CHO)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CHO)(NCH)(H)	H(CCHH)	109.5517	0.069	3	109.5517	0.005	3	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NCC)(H)	H(CCHH)	109.6374	1.167	31	109.6374	1.361	31	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NCH)(H)	H(CCHH)	109.5497	0.794	386	109.5497	0.631	386	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NCN)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NCN)(H)	H(CCHH)	109.4677	0.051	16	109.4677	0.003	16	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NHH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NHH)(H)	H(CCHH)	109.4584	0.043	18	109.4584	0.002	18	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(CNO)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(CNO)(NHS)(H)	H(CCHH)	109.4912	0.034	21	109.4912	0.001	21	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(COO)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(COO)(NCC)(H)	H(CCHH)	108.3945	4.025	9	108.3945	16.199	9	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(COO)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(COO)(NCH)(H)	H(CCHH)	109.5993	0.823	364	109.5993	0.678	364	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(COO)(NHP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(COO)(NHP)(H)	H(CCHH)	109.4723	0.030	24	109.4723	0.001	24	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(COO)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(COO)(NHS)(H)	H(CCHH)	109.6845	0.549	24	109.6845	0.302	24	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(COO)(NPP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(COO)(NPP)(H)	H(CCHH)	109.4573	0.025	3	109.4573	0.001	3	109.5285	1.050	924	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)2(I)	C(CHHI)(COO)(NCH)(H)	H(CCHI)	C(CCHN)(H)2(I)	C(CHHI)(COO)(NCH)(H)	H(CCHI)	109.2520	0.004	2	109.2520	0.000	2	109.2520	0.000	2	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:S-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)2(S)	C(CHHS)(COO)(NCH)(H)	H(CCHS)	C(CCHN)(H)2(S)	C(CHHS)(COO)(NCH)(H)	H(CCHS)	108.8965	0.008	2	108.8965	0.000	2	108.8965	0.000	2	109.5191	1.047	963	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:C-2:	C-4:	C(CC3)(H)3	C(CH3)(CCH)(CHH)(CN)	H(CCHH)	C(CC3)(H)3	C(CH3)(CCH)(CHH)(CN)	H(CCHH)	113.7723	5.364	3	113.7723	28.773	3	113.7723	28.773	3	110.1926	6.100	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)(CCH)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)(CCH)(COO)(OH)	H(CCHH)	109.4741	0.034	7	109.4741	0.001	7	109.4766	0.001	15	110.1926	6.100	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)(CCO)(COS)(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)(CCO)(COS)(OH)	H(CCHH)	109.4760	0.029	5	109.4760	0.001	5	109.4766	0.001	15	110.1926	6.100	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)(CHS)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)(CHS)(COO)(OH)	H(CCHH)	109.4833	0.049	3	109.4833	0.002	3	109.4766	0.001	15	110.1926	6.100	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)(CCC)(COO)2	H(CCHH)	C(CC3)(H)3	C(CH3)(CCC)(COO)2	H(CCHH)	109.4497	0.458	6	109.4497	0.210	6	109.4497	0.210	6	109.9682	3.148	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:P-3:	C-4:	C(CCCP)(H)3	C(CH3)(CHH)2(PCC)	H(CCHH)	C(CCCP)(H)3	C(CH3)(CHH)2(PCC)	H(CCHH)	111.4773	3.497	3	111.4773	12.230	3	111.4773	12.230	3	109.9682	3.148	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-3:N-3:	C-4:	C(CCNN)(H)3	C(CH3)(COO)(NCN)(NOO)	H(CCHH)	C(CCNN)(H)3	C(CH3)(COO)(NCN)(NOO)	H(CCHH)	109.4963	0.037	3	109.4963	0.001	3	109.4963	0.001	3	109.9682	3.148	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-3:C-4:H-1:	C-4:	C(CBCH)(H)3	C(BC[6a]2H)(CN[6]H)(CH3)(H)	H(CCHH)	C(CBCH)(H)3	C(BC[6a]2H)(CN[6]H)(CH3)(H)	H(CCHH)	109.4677	0.016	3	109.4677	0.000	3	109.4413	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-3:C-4:H-1:	C-4:	C(CBCH)(H)3	C(BC[6a]3)(CC[6a]N)(CH3)(H)	H(CCHH)	C(CBCH)(H)3	C(BC[6a]3)(CC[6a]N)(CH3)(H)	H(CCHH)	109.4150	0.026	3	109.4150	0.001	3	109.4413	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCN)(CSiC)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCN)(CSiC)(CH3)(H)	H(CCHH)	109.4765	0.032	2	109.4765	0.001	2	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CRhO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CRhO)(CH3)(H)	H(CCHH)	109.4440	0.027	6	109.4440	0.001	6	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CSiC)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CSiC)(CH3)(H)	H(CCHH)	109.4622	0.039	5	109.4622	0.002	5	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHS)(CMnO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHS)(CMnO)(CH3)(H)	H(CCHH)	109.6773	0.536	3	109.6773	0.287	3	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]HH)(CC[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]HH)(CC[5]O)(CH3)(H)	H(CCHH)	109.4515	0.008	2	109.4515	0.000	2	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]HO)(CN[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]HO)(CN[5]O)(CH3)(H)	H(CCHH)	109.4753	0.020	3	109.4753	0.000	3	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HH)(CN[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HH)(CN[5]O)(CH3)(H)	H(CCHH)	113.2990	1.048	6	113.2990	1.098	6	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HO)(CC[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HO)(CC[5]O)(CH3)(H)	H(CCHH)	109.4640	0.011	3	109.4640	0.000	3	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CC[5]H)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CC[5]H)(CH3)(H)	H(CCHH)	109.4860	0.030	2	109.4860	0.001	2	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4848	0.038	6	109.4848	0.001	6	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CN[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CN[5]O)(CH3)(H)	H(CCHH)	109.4535	0.046	6	109.4535	0.002	6	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4664	0.051	7	109.4664	0.003	7	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CN[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CN[5]O)(CH3)(H)	H(CCHH)	109.4624	0.037	13	109.4624	0.001	13	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CN[6]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CN[6]O)(CH3)(H)	H(CCHH)	109.5121	0.355	15	109.5121	0.126	15	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CN[5]O)(CH3)(H)	H(CCHH)	109.4835	0.025	13	109.4835	0.001	13	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CN[6]O)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CN[6]O)(CH3)(H)	H(CCHH)	110.4513	1.063	3	110.4513	1.129	3	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CSiC)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CSiC)(CH3)(H)	H(CCHH)	108.1890	2.510	3	108.1890	6.299	3	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHHO)(CMoO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHO)(CMoO)(CH3)(H)	H(CCHH)	109.4510	0.024	3	109.4510	0.001	3	109.6990	1.134	101	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(NCrC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(NCrC)(CH3)(H)	H(CCHH)	109.4882	0.037	10	109.4882	0.001	10	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(NCuC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(NCuC)(CH3)(H)	H(CCHH)	109.5169	0.202	9	109.5169	0.041	9	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(NNiC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(NNiC)(CH3)(H)	H(CCHH)	109.4757	0.018	6	109.4757	0.000	6	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(NRuC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(NRuC)(CH3)(H)	H(CCHH)	109.5073	0.038	3	109.5073	0.001	3	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHN)(NSnC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHN)(NSnC)(CH3)(H)	H(CCHH)	109.4707	0.049	12	109.4707	0.002	12	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[4]HH)(NC[6a]C)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[4]HH)(NC[6a]C)(CH3)(H)	H(CCHH)	109.4823	0.047	3	109.4823	0.002	3	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6]HH)(NC[6]S)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6]HH)(NC[6]S)(CH3)(H)	H(CCHH)	109.4550	0.027	2	109.4550	0.001	2	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]CH)(NC[6]H)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]CH)(NC[6]H)(CH3)(H)	H(CCHH)	111.2590	1.826	3	111.2590	3.336	3	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]CH)(NN[5]C)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]CH)(NN[5]C)(CH3)(H)	H(CCHH)	109.4717	0.013	3	109.4717	0.000	3	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(NC[6]H)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(NC[6]H)(CH3)(H)	H(CCHH)	109.4780	0.034	5	109.4780	0.001	5	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HP)(NFeC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HP)(NFeC)(CH3)(H)	H(CCHH)	109.4772	0.055	5	109.4772	0.003	5	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CFeCH)(NFeN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CFeCH)(NFeN)(CH3)(H)	H(CCHH)	109.5052	0.070	6	109.5052	0.005	6	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NCoC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NCoC)(CH3)(H)	H(CCHH)	109.5173	0.037	3	109.5173	0.001	3	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NFeC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NFeC)(CH3)(H)	H(CCHH)	109.4756	0.034	15	109.4756	0.001	15	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NMnC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NMnC)(CH3)(H)	H(CCHH)	109.4763	0.030	10	109.4763	0.001	10	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NNiC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NNiC)(CH3)(H)	H(CCHH)	109.4443	0.088	6	109.4443	0.008	6	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NPtC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NPtC)(CH3)(H)	H(CCHH)	109.4323	0.102	3	109.4323	0.010	3	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CN[5]HH)(NC[5]H)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5]HH)(NC[5]H)(CH3)(H)	H(CCHH)	109.4897	0.016	3	109.4897	0.000	3	109.5308	0.155	107	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CCHH)(OZn2)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHH)(OZn2)(CH3)(H)	H(CCHH)	109.4622	0.022	4	109.4622	0.000	4	109.4631	0.027	35	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(OAl2)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(OAl2)(CH3)(H)	H(CCHH)	109.4608	0.242	16	109.4608	0.059	16	109.4631	0.027	35	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(OCo2)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(OCo2)(CH3)(H)	H(CCHH)	109.4827	0.047	3	109.4827	0.002	3	109.4631	0.027	35	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(OFe2)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(OFe2)(CH3)(H)	H(CCHH)	109.4347	0.021	3	109.4347	0.000	3	109.4631	0.027	35	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(OMnH)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(OMnH)(CH3)(H)	H(CCHH)	109.4738	0.047	5	109.4738	0.002	5	109.4631	0.027	35	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CHHO)(OAl2)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHO)(OAl2)(CH3)(H)	H(CCHH)	109.4810	0.000	1	109.4810	0.000	1	109.4631	0.027	35	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(H)3	C(CN[6]HH)(OAl2)(CH3)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[6]HH)(OAl2)(CH3)(H)	H(CCHH)	109.4617	0.043	3	109.4617	0.002	3	109.4631	0.027	35	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CCHS)(SFe2)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CCHS)(SFe2)(CH3)(H)	H(CCHH)	109.4627	0.055	6	109.4627	0.003	6	109.4622	0.002	17	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CCHS)(SZnC)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CCHS)(SZnC)(CH3)(H)	H(CCHH)	109.4577	0.060	3	109.4577	0.004	3	109.4622	0.002	17	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CHHN)(SCuC)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CHHN)(SCuC)(CH3)(H)	H(CCHH)	109.4664	0.029	5	109.4664	0.001	5	109.4622	0.002	17	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CIrCH)(SIr2)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CIrCH)(SIr2)(CH3)(H)	H(CCHH)	109.4590	0.046	3	109.4590	0.002	3	109.4622	0.002	17	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-3:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[5]H)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[5]H)(CH3)(H)	H(CCHH)	109.4623	0.049	6	109.4623	0.002	6	109.4623	0.002	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[3]H)(H)3	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[3]H)(H)3	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4653	0.021	3	109.4653	0.000	3	109.4653	0.000	3	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-3:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	H(CCHH)	109.4868	0.046	16	109.4868	0.002	16	109.4868	0.002	16	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-3:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4910	0.016	2	109.4910	0.000	2	109.4910	0.000	2	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	H(CCHH)	109.4325	0.057	2	109.4325	0.003	2	108.9354	12.873	21	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	H(CCHH)	109.4693	0.031	3	109.4693	0.001	3	108.9354	12.873	21	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4773	0.046	3	109.4773	0.002	3	108.9354	12.873	21	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	H(CCHH)	105.7101	10.513	3	105.7101	110.516	3	108.9354	12.873	21	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	H(CCHH)	109.4853	0.026	3	109.4853	0.001	3	108.9354	12.873	21	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4745	0.005	2	109.4745	0.000	2	108.9354	12.873	21	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	H(CCHH)	109.4804	0.016	5	109.4804	0.000	5	108.9354	12.873	21	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(H)3	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	H(CCHH)	C(CC[5a]C[5]H)(H)3	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	H(CCHH)	109.4927	0.028	3	109.4927	0.001	3	109.4767	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(H)3	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	H(CCHH)	C(CC[5a]C[5]H)(H)3	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	H(CCHH)	109.4607	0.042	3	109.4607	0.002	3	109.4767	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C-4:	C(CC[5]C[6]H)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	H(CCHH)	C(CC[5]C[6]H)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	H(CCHH)	109.4903	0.036	3	109.4903	0.001	3	109.4780	0.001	10	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C-4:	C(CC[5]C[6]H)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	H(CCHH)	C(CC[5]C[6]H)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	H(CCHH)	109.4653	0.029	3	109.4653	0.001	3	109.4780	0.001	10	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-3:C-4:H-1:	C-4:	C(CC[5]C[6]H)(H)3	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	H(CCHH)	C(CC[5]C[6]H)(H)3	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	H(CCHH)	109.4783	0.052	4	109.4783	0.003	4	109.4780	0.001	10	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:F-1:	C-4:	C(CC[6a]C[5]F)(H)3	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	H(CCHH)	C(CC[6a]C[5]F)(H)3	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	H(CCHH)	109.6089	0.618	8	109.6089	0.382	8	109.6089	0.382	8	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(H)3	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[5]H)(H)3	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4537	0.044	3	109.4537	0.002	3	109.4555	0.071	24	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4647	0.514	7	109.4647	0.265	7	109.4555	0.071	24	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4367	0.052	9	109.4367	0.003	9	109.4555	0.071	24	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[5]H)(H)3	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4774	0.024	5	109.4774	0.001	5	109.4555	0.071	24	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-1:	C-4:	C(CC[6a]C[5]O)(H)3	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(O)	H(CCHH)	C(CC[6a]C[5]O)(H)3	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(O)	H(CCHH)	109.4000	0.225	3	109.4000	0.050	3	109.4000	0.050	3	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-3:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	H(CCHH)	109.4510	0.024	3	109.4510	0.001	3	109.4673	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-3:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	H(CCHH)	109.4817	0.036	3	109.4817	0.001	3	109.4673	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-3:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NCuC)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NCuC)(CH3)(H)	H(CCHH)	109.4917	0.042	3	109.4917	0.002	3	109.4673	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-3:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NPdC)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NPdC)(CH3)(H)	H(CCHH)	109.4335	0.032	2	109.4335	0.001	2	109.4673	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N[5a]-3:C-4:H-1:	C-4:	C(CN[5a]C[5]H)(H)3	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	H(CCHH)	C(CN[5a]C[5]H)(H)3	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	H(CCHH)	109.4693	0.046	3	109.4693	0.002	3	109.4693	0.002	3	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	H(CCHH)	109.4210	0.014	2	109.4210	0.000	2	109.4633	0.002	22	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	H(CCHH)	109.4714	0.025	5	109.4714	0.001	5	109.4633	0.002	22	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	H(CCHH)	109.4670	0.032	9	109.4670	0.001	9	109.4633	0.002	22	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	H(CCHH)	109.4652	0.060	6	109.4652	0.004	6	109.4633	0.002	22	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	H(CCHH)	109.4870	0.024	2	109.4870	0.001	2	109.4849	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4690	0.021	3	109.4690	0.000	3	109.4849	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	H(CCHH)	109.4973	0.026	3	109.4973	0.001	3	109.4849	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	H(CCHH)	109.4870	0.060	3	109.4870	0.004	3	109.4849	0.001	11	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6]H)(H)3	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	H(CCHH)	C(CC[5a]C[6]H)(H)3	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	H(CCHH)	110.9213	2.678	3	110.9213	7.170	3	110.9213	7.170	3	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C-4:	C(CC[6]2H)(H)3	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	H(CCHH)	C(CC[6]2H)(H)3	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	H(CCHH)	109.4720	0.006	2	109.4720	0.000	2	109.4720	0.000	2	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(H)3	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[6]H)(H)3	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4487	0.031	3	109.4487	0.001	3	109.4575	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(H)3	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]C[6]H)(H)3	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4663	0.022	3	109.4663	0.000	3	109.4575	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	H(CCHH)	109.4917	0.029	3	109.4917	0.001	3	109.4747	0.002	26	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(NCoC)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(NCoC)(CH3)(H)	H(CCHH)	109.4712	0.053	17	109.4712	0.003	17	109.4747	0.002	26	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2Li)(NLiP)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2Li)(NLiP)(CH3)(H)	H(CCHH)	109.4790	0.038	3	109.4790	0.001	3	109.4747	0.002	26	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2Rh)(NSiSn)(CH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2Rh)(NSiSn)(CH3)(H)	H(CCHH)	109.4727	0.018	3	109.4727	0.000	3	109.4747	0.002	26	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N[5]-3:C-4:H-1:	C-4:	C(CC[6]N[5]H)(H)3	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	H(CCHH)	C(CC[6]N[5]H)(H)3	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	H(CCHH)	109.5073	0.026	3	109.5073	0.001	3	109.4912	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N[5]-3:C-4:H-1:	C-4:	C(CC[6]N[5]H)(H)3	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	H(CCHH)	C(CC[6]N[5]H)(H)3	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	H(CCHH)	109.4750	0.020	3	109.4750	0.000	3	109.4912	0.001	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:P-3:C-4:H-1:	C-4:	C(CC[6]HP)(H)3	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	H(CCHH)	C(CC[6]HP)(H)3	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	H(CCHH)	109.4945	0.023	2	109.4945	0.001	2	109.4945	0.001	2	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[3,5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CN[3,5]C[6a]H)(H)3	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CN[3,5]C[6a]H)(H)3	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4890	0.016	3	109.4890	0.000	3	109.4953	0.002	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[3,5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CN[3,5]C[6a]H)(H)3	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CN[3,5]C[6a]H)(H)3	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.5017	0.064	3	109.5017	0.004	3	109.4953	0.002	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CN[5,5]C[6a]H)(H)3	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CN[5,5]C[6a]H)(H)3	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4700	0.031	3	109.4700	0.001	3	108.9168	0.526	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5,5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CN[5,5]C[6a]H)(H)3	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CN[5,5]C[6a]H)(H)3	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	108.3637	0.630	3	108.3637	0.397	3	108.9168	0.526	6	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[5]H)(H)3	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4970	0.010	2	109.4970	0.000	2	109.4970	0.000	2	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-3:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	H(CCHH)	109.4977	0.374	3	109.4977	0.140	3	109.4977	0.140	3	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(H)3	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	C(CC[6a]N[6]H)(H)3	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	H(CCHH)	109.4893	0.022	3	109.4893	0.000	3	109.4893	0.000	3	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)2(I)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	H(CCHI)	C(CCCH)(H)2(I)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	H(CCHI)	109.2570	0.006	2	109.2570	0.000	2	109.2570	0.000	2	109.5116	0.898	479	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:Br-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[5]O)(Br)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	H(CBrCH)	C(CC[6a]C[5]O)(Br)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CBrHH)(OH)	H(CBrCH)	108.7240	0.018	2	108.7240	0.000	2	108.7240	0.000	2	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-2:	C-4:	C(CCCN)(H)3	C(CHHO)(NNiC)(CH3)(CO)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(NNiC)(CH3)(CO)	H(CCHH)	109.4763	0.048	3	109.4763	0.002	3	109.4763	0.002	3	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C-4:N-2:	C-4:	C(CC[6a]C[3]N)(H)3	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	H(CCHH)	C(CC[6a]C[3]N)(H)3	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	H(CCHH)	109.4907	0.035	3	109.4907	0.001	3	109.4907	0.001	3	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[3]O)(H)3	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	C(CC[6a]C[3]O)(H)3	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	109.4715	0.005	2	109.4715	0.000	2	109.4715	0.000	2	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:O-2:	C-4:	C(CC[5,5]C[5]O)(H)3	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	H(CCHH)	C(CC[5,5]C[5]O)(H)3	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	H(CCHH)	109.4380	0.062	3	109.4380	0.004	3	109.4380	0.004	3	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[5,6]C[6a]O)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	H(CCHH)	C(CC[5,6]C[6a]O)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(CH3)(OC)	H(CCHH)	109.4600	0.056	4	109.4600	0.003	4	109.4600	0.003	4	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-3:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CC[5]O)(CH3)(OH)	H(CCHH)	109.5080	0.044	5	109.5080	0.002	5	109.5080	0.002	5	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[5]O)(H)3	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	C(CC[6a]C[5]O)(H)3	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	109.4883	0.029	3	109.4883	0.001	3	109.4751	0.001	8	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[5]O)(H)3	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	C(CC[6a]C[5]O)(H)3	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	109.4672	0.023	5	109.4672	0.001	5	109.4751	0.001	8	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:O-2:	C-4:	C(CC[6]2O)(H)3	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	H(CCHH)	C(CC[6]2O)(H)3	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	H(CCHH)	107.7877	2.847	3	107.7877	8.105	3	107.7877	8.105	3	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[6]O)(H)3	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	C(CC[6a]C[6]O)(H)3	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(OH)	H(CCHH)	109.8773	0.622	8	109.8773	0.387	8	109.8773	0.387	8	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:I-1:	C[6]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[6]O)(H)2(I)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	H(CCHI)	C(CC[6a]C[6]O)(H)2(I)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	H(CCHI)	108.4495	0.076	2	108.4495	0.006	2	108.4495	0.006	2	109.3504	0.747	43	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)(COO)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)(COO)	H(CCHH)	109.4708	0.041	13	109.4708	0.002	13	109.4708	0.002	13	109.4704	0.001	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-3:C-4:C-3:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	H(CCHH)	109.4687	0.011	3	109.4687	0.000	3	109.4687	0.000	3	109.4704	0.001	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]CC)(CC[6a]N)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[5]CC)(CC[6a]N)(CH3)2	H(CCHH)	109.4656	0.022	5	109.4656	0.000	5	109.4717	0.001	10	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]HH)(CC[6a]S)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]HH)(CC[6a]S)(CH3)2	H(CCHH)	109.4778	0.038	5	109.4778	0.001	5	109.4717	0.001	10	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]CC)(H)3	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	H(CCHH)	C(CC[6a]CC)(H)3	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	H(CCHH)	109.4837	0.048	3	109.4837	0.002	3	109.4837	0.002	3	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCCN)(NCoC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCCN)(NCoC)(CH3)2	H(CCHH)	109.4700	0.004	2	109.4700	0.000	2	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCCN)(NMnC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCCN)(NMnC)(CH3)2	H(CCHH)	109.5606	0.636	187	109.5606	0.404	187	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCCN)(NOsH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCCN)(NOsH)(CH3)2	H(CCHH)	109.4728	0.036	5	109.4728	0.001	5	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCCN)(NPtC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCCN)(NPtC)(CH3)2	H(CCHH)	109.4605	0.069	15	109.4605	0.005	15	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCCN)(NRuH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCCN)(NRuH)(CH3)2	H(CCHH)	109.4843	0.041	10	109.4843	0.002	10	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NCrC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NCrC)(CH3)2	H(CCHH)	109.4528	0.052	9	109.4528	0.003	9	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NCuC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NCuC)(CH3)2	H(CCHH)	109.4826	0.042	32	109.4826	0.002	32	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)2	H(CCHH)	109.4671	0.054	18	109.4671	0.003	18	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NRuC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NRuC)(CH3)2	H(CCHH)	109.4721	0.039	8	109.4721	0.002	8	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NZnC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NZnC)(CH3)2	H(CCHH)	109.4554	0.061	5	109.4554	0.004	5	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NZrC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NZrC)(CH3)2	H(CCHH)	109.4505	0.079	4	109.4505	0.006	4	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NAlC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NAlC)(CH3)2	H(CCHH)	109.4726	0.035	7	109.4726	0.001	7	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NCoC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NCoC)(CH3)2	H(CCHH)	109.4803	0.049	22	109.4803	0.002	22	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NCuC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NCuC)(CH3)2	H(CCHH)	109.4661	0.059	9	109.4661	0.004	9	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NFeC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NFeC)(CH3)2	H(CCHH)	110.5120	2.519	6	110.5120	6.344	6	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NMnC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NMnC)(CH3)2	H(CCHH)	110.0074	1.122	13	110.0074	1.260	13	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NNiC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NNiC)(CH3)2	H(CCHH)	109.4636	0.040	37	109.4636	0.002	37	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NReC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NReC)(CH3)2	H(CCHH)	109.5202	0.073	11	109.5202	0.005	11	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHO)(NMnC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHO)(NMnC)(CH3)2	H(CCHH)	109.4745	0.032	14	109.4745	0.001	14	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHO)(NNiC)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHO)(NNiC)(CH3)2	H(CCHH)	109.4711	0.041	19	109.4711	0.002	19	109.5413	0.306	433	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CCCH)(OZn2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CCCH)(OZn2)(CH3)2	H(CCHH)	109.4760	0.058	5	109.4760	0.003	5	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CCCO)(OAl2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CCCO)(OAl2)(CH3)2	H(CCHH)	109.4747	0.011	3	109.4747	0.000	3	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CCCO)(OAlH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CCCO)(OAlH)(CH3)2	H(CCHH)	109.4610	0.021	4	109.4610	0.000	4	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CCCO)(OPdH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CCCO)(OPdH)(CH3)2	H(CCHH)	109.4538	0.328	6	109.4538	0.107	6	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CCCO)(OReH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CCCO)(OReH)(CH3)2	H(CCHH)	109.4603	0.050	4	109.4603	0.002	4	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CCHH)(ORhH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CCHH)(ORhH)(CH3)2	H(CCHH)	109.4580	0.036	5	109.4580	0.001	5	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CCHH)(OZn2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CCHH)(OZn2)(CH3)2	H(CCHH)	109.4720	0.038	10	109.4720	0.001	10	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(OMg2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(OMg2)(CH3)2	H(CCHH)	109.4787	0.030	4	109.4787	0.001	4	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(ONiH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(ONiH)(CH3)2	H(CCHH)	109.4839	0.043	30	109.4839	0.002	30	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CC[6]N[5]H)(OZnH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CC[6]N[5]H)(OZnH)(CH3)2	H(CCHH)	109.4743	0.046	6	109.4743	0.002	6	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CHHN)(OAl2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CHHN)(OAl2)(CH3)2	H(CCHH)	109.4687	0.044	33	109.4687	0.002	33	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CHHN)(OMg2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CHHN)(OMg2)(CH3)2	H(CCHH)	109.4702	0.035	9	109.4702	0.001	9	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CHHN)(OSn2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CHHN)(OSn2)(CH3)2	H(CCHH)	109.4599	0.052	8	109.4599	0.003	8	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(ORhB)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(ORhB)(CH3)2	H(CCHH)	109.4882	0.027	4	109.4882	0.001	4	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(ORhH)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(ORhH)(CH3)2	H(CCHH)	109.8513	0.209	6	109.8513	0.044	6	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(OZn2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(OZn2)(CH3)2	H(CCHH)	109.4767	0.027	3	109.4767	0.001	3	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CSeHH)(OPb2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CSeHH)(OPb2)(CH3)2	H(CCHH)	109.4699	0.075	8	109.4699	0.006	8	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(H)3	C(CSeHH)(OZn2)(CH3)2	H(CCHH)	C(CCCO)(H)3	C(CSeHH)(OZn2)(CH3)2	H(CCHH)	109.4792	0.028	4	109.4792	0.001	4	109.4871	0.012	152	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CCHN)(SRu2)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CCHN)(SRu2)(CH3)2	H(CCHH)	109.4878	0.227	11	109.4878	0.052	11	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CC[5]2O)(SCuC)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CC[5]2O)(SCuC)(CH3)2	H(CCHH)	109.4857	0.040	10	109.4857	0.002	10	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CC[6a]HO)(SC[6a]O)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CC[6a]HO)(SC[6a]O)(CH3)2	H(CCHH)	109.4784	0.029	5	109.4784	0.001	5	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHN)(SCuC)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHN)(SCuC)(CH3)2	H(CCHH)	111.4603	1.932	6	111.4603	3.732	6	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHN)(SCuS)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHN)(SCuS)(CH3)2	H(CCHH)	111.2036	0.838	20	111.2036	0.703	20	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHN)(SFe2)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHN)(SFe2)(CH3)2	H(CCHH)	109.4758	0.049	9	109.4758	0.002	9	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHN)(SNi2)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHN)(SNi2)(CH3)2	H(CCHH)	109.4825	0.039	13	109.4825	0.002	13	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHN)(SNiC)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHN)(SNiC)(CH3)2	H(CCHH)	109.4647	0.037	4	109.4647	0.001	4	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHN)(SNiO)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHN)(SNiO)(CH3)2	H(CCHH)	109.4735	0.005	2	109.4735	0.000	2	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHN)(SNiW)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHN)(SNiW)(CH3)2	H(CCHH)	109.4493	0.051	15	109.4493	0.003	15	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CHHS)(SNiC)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CHHS)(SNiC)(CH3)2	H(CCHH)	109.4657	0.041	24	109.4657	0.002	24	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CN[5a]N[5]H)(SZn2)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CN[5a]N[5]H)(SZn2)(CH3)2	H(CCHH)	109.4718	0.046	5	109.4718	0.002	5	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(H)3	C(CSeHH)(SNiC)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(CSeHH)(SNiC)(CH3)2	H(CCHH)	109.4645	0.046	15	109.4645	0.002	15	109.8061	0.731	139	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-3:C-4:C-4:	C-4:	C(CC[5]C[6]C)(H)3	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	H(CCHH)	C(CC[5]C[6]C)(H)3	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	H(CCHH)	109.4452	0.085	6	109.4452	0.007	6	109.4642	0.004	20	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-3:C-4:C-4:	C-4:	C(CC[5]C[6]C)(H)3	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	H(CCHH)	C(CC[5]C[6]C)(H)3	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	H(CCHH)	109.4724	0.049	14	109.4724	0.002	14	109.4642	0.004	20	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHH)	109.4500	0.062	4	109.4500	0.004	4	109.7136	0.470	32	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.4780	0.023	4	109.4780	0.001	4	109.7136	0.470	32	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.4710	0.021	6	109.4710	0.000	6	109.7136	0.470	32	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(H)3	C(C[5]C[5]2Zr)(C[6a]C[6a]2)(CH3)2	H(CCHH)	C(CC[6a]C[5]C)(H)3	C(C[5]C[5]2Zr)(C[6a]C[6a]2)(CH3)2	H(CCHH)	109.9054	0.876	18	109.9054	0.767	18	109.7136	0.470	32	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-3:C-4:C-4:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(CCHH)	109.4578	0.016	4	109.4578	0.000	4	109.4578	0.000	4	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-3:C-4:C-4:	C-4:	C(CC[5]CP)(H)3	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	H(CCHH)	C(CC[5]CP)(H)3	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	H(CCHH)	109.4718	0.026	4	109.4718	0.001	4	109.4718	0.001	4	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:	C(CC[6]2C)(H)3	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	H(CCHH)	C(CC[6]2C)(H)3	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	H(CCHH)	111.6548	2.821	6	111.6548	7.959	6	111.6548	7.959	6	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	H(CCHH)	109.4710	0.013	4	109.4710	0.000	4	109.4710	0.000	4	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:3:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:Ge-3:C-4:C-4:	C-4:	C(CGeCP)(H)3	C(PC[6a]3)(GeCl2)(CH3)2	H(CCHH)	C(CGeCP)(H)3	C(PC[6a]3)(GeCl2)(CH3)2	H(CCHH)	109.4600	0.038	4	109.4600	0.001	4	109.4600	0.001	4	109.5945	0.402	811	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:Br-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(Br)2(H)	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	H(CBr2C)	C(CC[5]HH)(Br)2(H)	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	H(CBr2C)	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(Br)(H)2	C(CBrHH)(CCHH)(Br)(H)	H(CBrCH)	C(CBrCH)(Br)(H)2	C(CBrHH)(CCHH)(Br)(H)	H(CBrCH)	109.2873	0.122	4	109.2873	0.015	4	109.4929	0.061	8	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(Br)(H)2	C(CBrHH)(CHHN)(Br)(H)	H(CBrCH)	C(CBrCH)(Br)(H)2	C(CBrHH)(CHHN)(Br)(H)	H(CBrCH)	109.5920	0.028	2	109.5920	0.001	2	109.4929	0.061	8	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(Br)(H)2	C(CC[5]CH)(CBrHH)(Br)(H)	H(CBrCH)	C(CBrCH)(Br)(H)2	C(CC[5]CH)(CBrHH)(Br)(H)	H(CBrCH)	109.8050	0.008	2	109.8050	0.000	2	109.4929	0.061	8	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(Br)(H)2	C(CC[6a]HH)(CBrHH)(F)2	H(CBrCH)	C(CCFF)(Br)(H)2	C(CC[6a]HH)(CBrHH)(F)2	H(CBrCH)	109.2390	0.017	2	109.2390	0.000	2	109.2390	0.000	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	H(CBrCH)	109.2371	0.721	114	109.2371	0.520	114	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CBrHH)(CFeHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CBrHH)(CFeHH)(H)2	H(CBrCH)	109.2230	0.000	1	109.2230	0.000	1	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CBrHH)(CHHN)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CBrHH)(CHHN)(H)2	H(CBrCH)	109.1249	0.158	9	109.1249	0.025	9	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CBrHH)(CHHO)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CBrHH)(CHHO)(H)2	H(CBrCH)	109.3600	0.102	13	109.3600	0.010	13	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CC[5a]HH)(CBrHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CC[5a]HH)(CBrHH)(H)2	H(CBrCH)	109.9765	2.102	4	109.9765	4.419	4	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CC[6a]2C)(CBrHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CC[6a]2C)(CBrHH)(H)2	H(CBrCH)	109.9850	0.065	2	109.9850	0.004	2	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CC[6a]CH)(CBrHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CC[6a]CH)(CBrHH)(H)2	H(CBrCH)	109.0980	0.011	2	109.0980	0.000	2	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CN[5]HH)(CBrHH)(H)2	H(CBrCH)	109.3095	0.120	10	109.3095	0.014	10	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CN[5a]HH)(CBrHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CN[5a]HH)(CBrHH)(H)2	H(CBrCH)	109.3757	0.121	4	109.3757	0.015	4	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CN[6]HH)(CBrHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CN[6]HH)(CBrHH)(H)2	H(CBrCH)	109.5060	0.000	1	109.5060	0.000	1	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Br)(H)2	C(CN[6a]CH)(CBrHH)(H)2	H(CBrCH)	C(CCHH)(Br)(H)2	C(CN[6a]CH)(CBrHH)(H)2	H(CBrCH)	109.1860	0.110	4	109.1860	0.012	4	109.2743	0.467	164	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Br)(H)2	C(CBrHH)(NBHO)(H)2	H(CBrCH)	C(CHHN)(Br)(H)2	C(CBrHH)(NBHO)(H)2	H(CBrCH)	109.0460	0.000	1	109.0460	0.000	1	109.4077	0.966	33	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Br)(H)2	C(CBrHH)(NC3)(H)2	H(CBrCH)	C(CHHN)(Br)(H)2	C(CBrHH)(NC3)(H)2	H(CBrCH)	109.3604	1.684	8	109.3604	2.835	8	109.4077	0.966	33	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Br)(H)2	C(CBrHH)(NCHH)(H)2	H(CBrCH)	C(CHHN)(Br)(H)2	C(CBrHH)(NCHH)(H)2	H(CBrCH)	109.4669	0.793	18	109.4669	0.629	18	109.4077	0.966	33	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Br)(H)2	C(CBrHH)(NH3)(H)2	H(CBrCH)	C(CHHN)(Br)(H)2	C(CBrHH)(NH3)(H)2	H(CBrCH)	109.3537	0.166	6	109.3537	0.028	6	109.4077	0.966	33	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5,6]HH)(Br)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	H(CBrCH)	C(CC[3,5,6]HH)(Br)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	H(CBrCH)	109.1286	0.085	9	109.1286	0.007	9	109.1286	0.007	9	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(Br)(H)2	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	H(CBrCH)	C(CC[5,5]HH)(Br)(H)2	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	H(CBrCH)	109.2965	0.208	4	109.2965	0.043	4	109.3050	0.026	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(Br)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	H(CBrCH)	C(CC[5,5]HH)(Br)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	H(CBrCH)	109.3220	0.014	2	109.3220	0.000	2	109.3050	0.026	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:	C(CC[6]BrH)(Br)(H)2	C(C[6]C[6]2H)(CBrHH)(Br)(H)	H(CBrCH)	C(CC[6]BrH)(Br)(H)2	C(C[6]C[6]2H)(CBrHH)(Br)(H)	H(CBrCH)	109.6080	0.042	2	109.6080	0.002	2	109.6080	0.002	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Br-1:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(Br)(H)2	C(N[3x6]C[6,6]3)(CBrHH)(H)2	H(CBrCH)	C(CN[3x6]HH)(Br)(H)2	C(N[3x6]C[6,6]3)(CBrHH)(H)2	H(CBrCH)	110.2921	0.054	10	110.2921	0.003	10	110.2921	0.003	10	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:C-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(C)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(C)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	116.9480	1.520	2	116.9480	2.311	2	110.8157	14.915	8	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:C-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(C)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(C)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7717	0.603	6	108.7717	0.363	6	110.8157	14.915	8	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)2(H)	C(CC[6a]2N)(CCl2H)(H)2	H(CCl2C)	C(CCHH)(Cl)2(H)	C(CC[6a]2N)(CCl2H)(H)2	H(CCl2C)	108.4330	0.000	1	108.4330	0.000	1	108.6420	0.087	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)2(H)	C(CC[6a]HS)(CCl2H)(H)2	H(CCl2C)	C(CCHH)(Cl)2(H)	C(CC[6a]HS)(CCl2H)(H)2	H(CCl2C)	108.8510	0.000	1	108.8510	0.000	1	108.6420	0.087	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(Cl)(H)2	C(CClCC)(CClHH)(Br)(H)	H(CClCH)	C(CBrCH)(Cl)(H)2	C(CClCC)(CClHH)(Br)(H)	H(CClCH)	109.2730	0.031	2	109.2730	0.001	2	109.2730	0.001	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(Cl)(H)2	C(CClHH)(CCHH)(Cl)(H)	H(CClCH)	C(CClCH)(Cl)(H)2	C(CClHH)(CCHH)(Cl)(H)	H(CClCH)	109.5392	0.400	6	109.5392	0.160	6	109.8898	32.424	12	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(Cl)(H)2	C(CClHH)(CHHO)(Cl)(H)	H(CClCH)	C(CClCH)(Cl)(H)2	C(CClHH)(CHHO)(Cl)(H)	H(CClCH)	108.9525	0.080	2	108.9525	0.006	2	109.8898	32.424	12	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(Cl)(H)2	C(CClHH)2(Cl)(H)	H(CClCH)	C(CClCH)(Cl)(H)2	C(CClHH)2(Cl)(H)	H(CClCH)	110.8845	10.792	4	110.8845	116.470	4	109.8898	32.424	12	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[3x6]HH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[3x6]HH)(CClHH)(H)2	H(CClCH)	109.0905	0.019	2	109.0905	0.000	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[5a]2H)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[5a]2H)(CClHH)(H)2	H(CClCH)	109.2675	0.008	2	109.2675	0.000	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[5a]HH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[5a]HH)(CClHH)(H)2	H(CClCH)	109.3180	0.016	2	109.3180	0.000	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[6]BrH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[6]BrH)(CClHH)(H)2	H(CClCH)	109.3840	0.016	2	109.3840	0.000	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CClCH)	109.1137	0.206	6	109.1137	0.042	6	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[6a]2O)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[6a]2O)(CClHH)(H)2	H(CClCH)	109.7710	0.000	1	109.7710	0.000	1	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[6a]HH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[6a]HH)(CClHH)(H)2	H(CClCH)	109.1807	0.717	6	109.1807	0.514	6	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CC[6a]HN)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CC[6a]HN)(CClHH)(H)2	H(CClCH)	109.4805	0.134	2	109.4805	0.018	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CC3)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CC3)(H)2	H(CClCH)	108.9370	0.031	2	108.9370	0.001	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	H(CClCH)	109.2965	0.728	76	109.2965	0.530	76	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CCHN)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CCHN)(H)2	H(CClCH)	109.2565	0.059	2	109.2565	0.003	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CHHN)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CHHN)(H)2	H(CClCH)	108.9469	0.301	13	108.9469	0.091	13	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CHHO)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CHHO)(H)2	H(CClCH)	109.1872	0.187	16	109.1872	0.035	16	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CHHP)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CHHP)(H)2	H(CClCH)	109.4175	0.018	2	109.4175	0.000	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CHHS)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CHHS)(H)2	H(CClCH)	109.3697	1.344	4	109.3697	1.805	4	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CClHH)(CRhHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CClHH)(CRhHH)(H)2	H(CClCH)	109.5205	0.053	2	109.5205	0.003	2	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CN[5]HH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CN[5]HH)(CClHH)(H)2	H(CClCH)	109.2527	0.037	4	109.2527	0.001	4	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CN[5a]HH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CN[5a]HH)(CClHH)(H)2	H(CClCH)	109.0212	0.110	4	109.0212	0.012	4	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(Cl)(H)2	C(CN[6]HH)(CClHH)(H)2	H(CClCH)	C(CCHH)(Cl)(H)2	C(CN[6]HH)(CClHH)(H)2	H(CClCH)	109.3417	0.185	3	109.3417	0.034	3	109.2405	0.349	151	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NBHO)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NBHO)(H)2	H(CClCH)	109.3135	0.215	4	109.3135	0.046	4	109.5999	0.461	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NC3)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NC3)(H)2	H(CClCH)	109.5675	0.808	18	109.5675	0.653	18	109.5999	0.461	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCCH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCCH)(H)2	H(CClCH)	110.0350	0.000	1	110.0350	0.000	1	109.5999	0.461	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCCN)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCCN)(H)2	H(CClCH)	108.6660	0.006	2	108.6660	0.000	2	109.5999	0.461	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NCHH)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NCHH)(H)2	H(CClCH)	109.5905	0.032	2	109.5905	0.001	2	109.5999	0.461	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NH3)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NH3)(H)2	H(CClCH)	109.6040	0.025	2	109.6040	0.001	2	109.5999	0.461	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(Cl)(H)2	C(CClHH)(NPtCC)(H)2	H(CClCH)	C(CHHN)(Cl)(H)2	C(CClHH)(NPtCC)(H)2	H(CClCH)	109.9966	0.511	8	109.9966	0.261	8	109.5999	0.461	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(Cl)(H)2	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	H(CClCH)	C(CC[5,6,6]HH)(Cl)(H)2	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	H(CClCH)	109.9970	0.085	2	109.9970	0.007	2	109.9970	0.007	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(Cl)(H)2	C(C[6]C[6]2H)(CClHH)(H)2	H(CClCH)	C(CC[6]HH)(Cl)(H)2	C(C[6]C[6]2H)(CClHH)(H)2	H(CClCH)	109.3497	0.153	6	109.3497	0.023	6	109.3497	0.023	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(Cl)(H)2	C(N[3x6]C[6,6]3)(CClHH)(H)2	H(CClCH)	C(CN[3x6]HH)(Cl)(H)2	C(N[3x6]C[6,6]3)(CClHH)(H)2	H(CClCH)	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(Cl)(H)2	C(N[5]C[5]2H)(CClHH)(H)2	H(CClCH)	C(CN[5]HH)(Cl)(H)2	C(N[5]C[5]2H)(CClHH)(H)2	H(CClCH)	109.1670	0.011	2	109.1670	0.000	2	109.1670	0.000	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:Cl-1:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]2H)(CClHH)(H)2	H(CClCH)	C(CN[6]HH)(Cl)(H)2	C(N[6]C[6]2H)(CClHH)(H)2	H(CClCH)	109.1852	2.996	8	109.1852	8.974	8	109.1852	8.974	8	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(F)2(H)	C(CCFF)(CFFH)(F)2	H(CCFF)	C(CCFF)(F)2(H)	C(CCFF)(CFFH)(F)2	H(CCFF)	110.6535	0.480	2	110.6535	0.231	2	111.6989	2.156	7	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(F)2(H)	C(CFFH)(CHHO)(F)2	H(CCFF)	C(CCFF)(F)2(H)	C(CFFH)(CHHO)(F)2	H(CCFF)	112.1170	1.553	5	112.1170	2.411	5	111.6989	2.156	7	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(F)2(H)	C(CCHH)(CFFH)(H)2	H(CCFF)	C(CCHH)(F)2(H)	C(CCHH)(CFFH)(H)2	H(CCFF)	110.3530	0.000	1	110.3530	0.000	1	111.2738	4.996	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(F)2(H)	C(CCHS)(CFFH)(H)2	H(CCFF)	C(CCHH)(F)2(H)	C(CCHS)(CFFH)(H)2	H(CCFF)	115.2340	0.000	1	115.2340	0.000	1	111.2738	4.996	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(F)2(H)	C(CC[6a]CC)(CFFH)(H)2	H(CCFF)	C(CCHH)(F)2(H)	C(CC[6a]CC)(CFFH)(H)2	H(CCFF)	109.7860	0.000	1	109.7860	0.000	1	111.2738	4.996	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(F)2(H)	C(CC[6a]HN)(CFFH)(H)2	H(CCFF)	C(CCHH)(F)2(H)	C(CC[6a]HN)(CFFH)(H)2	H(CCFF)	110.4980	0.185	2	110.4980	0.034	2	111.2738	4.996	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(F)2(H)	C(CFFH)(NH3)(H)2	H(CCFF)	C(CHHN)(F)2(H)	C(CFFH)(NH3)(H)2	H(CCFF)	110.5885	0.233	2	110.5885	0.054	2	110.5885	0.054	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C-4:S-4:F-1:F-1:	C-4:	C(CFFS)(F)2(H)	C(CFFH)(SO3)(F)2	H(CCFF)	C(CFFS)(F)2(H)	C(CFFH)(SO3)(F)2	H(CCFF)	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(F)2(H)	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	H(CCFF)	C(CC[5]HH)(F)2(H)	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	H(CCFF)	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(F)2(H)	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	H(CCFF)	C(CC[6]HH)(F)2(H)	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	H(CCFF)	109.8295	0.736	2	109.8295	0.542	2	109.8295	0.542	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(F)(H)2	C(CCFH)(CFHH)(H)2	H(CCFH)	C(CCHH)(F)(H)2	C(CCFH)(CFHH)(H)2	H(CCFH)	109.6643	0.045	4	109.6643	0.002	4	110.1010	2.524	10	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(F)(H)2	C(CCHH)(CFHH)(H)2	H(CCFH)	C(CCHH)(F)(H)2	C(CCHH)(CFHH)(H)2	H(CCFH)	111.7290	3.984	2	111.7290	15.871	2	110.1010	2.524	10	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(F)(H)2	C(CFHH)(CHHP)(H)2	H(CCFH)	C(CCHH)(F)(H)2	C(CFHH)(CHHP)(H)2	H(CCFH)	109.7237	0.261	4	109.7237	0.068	4	110.1010	2.524	10	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(F)(H)2	C(CFHH)(NC3)(H)2	H(CCFH)	C(CHHN)(F)(H)2	C(CFHH)(NC3)(H)2	H(CCFH)	109.2425	0.029	2	109.2425	0.001	2	109.9300	1.066	25	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(F)(H)2	C(CFHH)(NCCH)(H)2	H(CCFH)	C(CHHN)(F)(H)2	C(CFHH)(NCCH)(H)2	H(CCFH)	109.9390	0.528	4	109.9390	0.279	4	109.9300	1.066	25	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(F)(H)2	C(CFHH)(NH3)(H)2	H(CCFH)	C(CHHN)(F)(H)2	C(CFHH)(NH3)(H)2	H(CCFH)	110.0004	1.148	19	110.0004	1.317	19	109.9300	1.066	25	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(F)(H)2	C(N[3x6]C[6,6]3)(CFHH)(H)2	H(CCFH)	C(CN[3x6]HH)(F)(H)2	C(N[3x6]C[6,6]3)(CFHH)(H)2	H(CCFH)	109.2635	0.023	2	109.2635	0.001	2	109.2635	0.001	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(F)(H)2	C(N[6]C[6]2C)(CFHH)(H)2	H(CCFH)	C(CN[6]HH)(F)(H)2	C(N[6]C[6]2C)(CFHH)(H)2	H(CCFH)	109.3815	0.016	2	109.3815	0.000	2	109.3815	0.000	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(F)(H)2	C(SC[6a]OO)(CFHH)(H)2	H(CCFH)	C(CHHS)(F)(H)2	C(SC[6a]OO)(CFHH)(H)2	H(CCFH)	109.7670	0.008	2	109.7670	0.000	2	109.7670	0.000	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(H)3	C(AsC3)(CH3)(H)2	H(CCHH)	C(CAsHH)(H)3	C(AsC3)(CH3)(H)2	H(CCHH)	109.4588	0.150	6	109.4588	0.022	6	109.4644	0.004	62	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(H)3	C(AsClCC)(CH3)(H)2	H(CCHH)	C(CAsHH)(H)3	C(AsClCC)(CH3)(H)2	H(CCHH)	109.4968	0.030	5	109.4968	0.001	5	109.4644	0.004	62	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(H)3	C(AsGeCC)(CH3)(H)2	H(CCHH)	C(CAsHH)(H)3	C(AsGeCC)(CH3)(H)2	H(CCHH)	109.4902	0.026	5	109.4902	0.001	5	109.4644	0.004	62	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(H)3	C(AsPtCC)(CH3)(H)2	H(CCHH)	C(CAsHH)(H)3	C(AsPtCC)(CH3)(H)2	H(CCHH)	109.4413	0.053	20	109.4413	0.003	20	109.4644	0.004	62	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(H)3	C(AsSnCC)(CH3)(H)2	H(CCHH)	C(CAsHH)(H)3	C(AsSnCC)(CH3)(H)2	H(CCHH)	109.4722	0.037	26	109.4722	0.001	26	109.4644	0.004	62	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BCCH)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BCCH)(CH3)(H)2	H(CCHH)	110.6537	2.688	21	110.6537	7.224	21	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BCCN)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BCCN)(CH3)(H)2	H(CCHH)	110.0409	1.441	37	110.0409	2.077	37	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BCCO)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BCCO)(CH3)(H)2	H(CCHH)	109.4731	0.034	15	109.4731	0.001	15	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BCOO)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BCOO)(CH3)(H)2	H(CCHH)	109.4636	0.048	5	109.4636	0.002	5	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BC[5]CC)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BC[5]CC)(CH3)(H)2	H(CCHH)	109.7889	1.074	49	109.7889	1.153	49	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BC[5]CO)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BC[5]CO)(CH3)(H)2	H(CCHH)	109.4680	0.050	6	109.4680	0.002	6	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BC[6]N[6]C)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BC[6]N[6]C)(CH3)(H)2	H(CCHH)	109.4752	0.041	13	109.4752	0.002	13	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BC[6a]2C)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BC[6a]2C)(CH3)(H)2	H(CCHH)	109.4740	0.056	6	109.4740	0.003	6	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BC[6a]3)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BC[6a]3)(CH3)(H)2	H(CCHH)	109.4643	0.020	6	109.4643	0.000	6	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BN[5]2C)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BN[5]2C)(CH3)(H)2	H(CCHH)	109.4678	0.047	5	109.4678	0.002	5	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BN[5]CC)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BN[5]CC)(CH3)(H)2	H(CCHH)	109.4670	0.028	8	109.4670	0.001	8	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BN[6]CC)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BN[6]CC)(CH3)(H)2	H(CCHH)	109.5030	0.050	6	109.5030	0.003	6	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BN[6]CO)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BN[6]CO)(CH3)(H)2	H(CCHH)	109.4677	0.015	7	109.4677	0.000	7	109.8059	1.641	184	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[5]-4:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(H)3	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	H(CCHH)	C(CB[5]HH)(H)3	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	H(CCHH)	109.4603	0.027	10	109.4603	0.001	10	109.4603	0.001	10	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[5a]-4:C-4:H-1:H-1:	C-4:	C(CB[5a]HH)(H)3	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	H(CCHH)	C(CB[5a]HH)(H)3	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	H(CCHH)	109.4797	0.023	4	109.4797	0.001	4	109.4777	0.002	22	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[5a]-4:C-4:H-1:H-1:	C-4:	C(CB[5a]HH)(H)3	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	H(CCHH)	C(CB[5a]HH)(H)3	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	H(CCHH)	109.4800	0.053	10	109.4800	0.003	10	109.4777	0.002	22	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[5a]-4:C-4:H-1:H-1:	C-4:	C(CB[5a]HH)(H)3	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	H(CCHH)	C(CB[5a]HH)(H)3	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	H(CCHH)	109.4739	0.037	8	109.4739	0.001	8	109.4777	0.002	22	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(H)3	C(B[6]C[5,6]O[6]C)(CH3)(H)2	H(CCHH)	C(CB[6]HH)(H)3	C(B[6]C[5,6]O[6]C)(CH3)(H)2	H(CCHH)	109.4673	0.030	14	109.4673	0.001	14	109.4704	0.001	60	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(H)3	C(B[6]N[5,6]2C)(CH3)(H)2	H(CCHH)	C(CB[6]HH)(H)3	C(B[6]N[5,6]2C)(CH3)(H)2	H(CCHH)	109.4845	0.023	6	109.4845	0.001	6	109.4704	0.001	60	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(H)3	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	H(CCHH)	C(CB[6]HH)(H)3	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	H(CCHH)	109.4702	0.022	4	109.4702	0.000	4	109.4704	0.001	60	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(H)3	C(B[6]N[6,6]N[6]C)(CH3)(H)2	H(CCHH)	C(CB[6]HH)(H)3	C(B[6]N[6,6]N[6]C)(CH3)(H)2	H(CCHH)	109.4588	0.021	5	109.4588	0.000	5	109.4704	0.001	60	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(H)3	C(B[6]N[6,6]O[6]C)(CH3)(H)2	H(CCHH)	C(CB[6]HH)(H)3	C(B[6]N[6,6]O[6]C)(CH3)(H)2	H(CCHH)	109.4714	0.030	28	109.4714	0.001	28	109.4704	0.001	60	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(H)3	C(B[6]N[6]O[6]C)(CH3)(H)2	H(CCHH)	C(CB[6]HH)(H)3	C(B[6]N[6]O[6]C)(CH3)(H)2	H(CCHH)	109.4677	0.027	3	109.4677	0.001	3	109.4704	0.001	60	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6a]-4:C-4:H-1:H-1:	C-4:	C(CB[6a]HH)(H)3	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	H(CCHH)	C(CB[6a]HH)(H)3	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	H(CCHH)	109.4734	0.042	16	109.4734	0.002	16	109.4722	0.001	31	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	B[6a]-4:C-4:H-1:H-1:	C-4:	C(CB[6a]HH)(H)3	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	H(CCHH)	C(CB[6a]HH)(H)3	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	H(CCHH)	109.4709	0.035	15	109.4709	0.001	15	109.4722	0.001	31	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CBrCC)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CBrCC)(CH3)(Br)(H)	H(CCHH)	109.5000	0.079	3	109.5000	0.006	3	109.4812	0.002	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CBrCH)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CBrCH)(CH3)(Br)(H)	H(CCHH)	109.4878	0.050	6	109.4878	0.003	6	109.4812	0.002	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CC[6a]HN)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CC[6a]HN)(CH3)(Br)(H)	H(CCHH)	109.4737	0.021	6	109.4737	0.000	6	109.4812	0.002	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(H)3	C(CN[5]HN)(CH3)(Br)(H)	H(CCHH)	C(CBrCH)(H)3	C(CN[5]HN)(CH3)(Br)(H)	H(CCHH)	109.4555	0.028	2	109.4555	0.001	2	109.4812	0.002	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CCCO)(CH3)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CCCO)(CH3)(Cl)(H)	H(CCHH)	109.4460	0.000	1	109.4460	0.000	1	109.5529	0.460	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CCHH)(CH3)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CCHH)(CH3)(Cl)(H)	H(CCHH)	109.4733	0.044	12	109.4733	0.002	12	109.5529	0.460	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CCHO)(CH3)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CCHO)(CH3)(Cl)(H)	H(CCHH)	109.4670	0.008	2	109.4670	0.000	2	109.5529	0.460	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CC[3]HH)(CH3)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CC[3]HH)(CH3)(Cl)(H)	H(CCHH)	109.6343	1.720	3	109.6343	2.960	3	109.5529	0.460	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CClCH)(CH3)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CClCH)(CH3)(Cl)(H)	H(CCHH)	109.6185	0.807	17	109.6185	0.652	17	109.5529	0.460	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(H)3	C(CHHN)(CH3)(Cl)(H)	H(CCHH)	C(CClCH)(H)3	C(CHHN)(CH3)(Cl)(H)	H(CCHH)	109.4895	0.015	2	109.4895	0.000	2	109.5529	0.460	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CCHH)(CH3)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CCHH)(CH3)(F)(H)	H(CCHH)	109.4759	0.127	10	109.4759	0.016	10	109.5665	0.369	30	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CCHN)(CH3)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CCHN)(CH3)(F)(H)	H(CCHH)	109.4855	0.032	6	109.4855	0.001	6	109.5665	0.369	30	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CCHO)(CH3)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CCHO)(CH3)(F)(H)	H(CCHH)	110.4143	2.017	3	110.4143	4.070	3	109.5665	0.369	30	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CC[6a]HN)(CH3)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CC[6a]HN)(CH3)(F)(H)	H(CCHH)	109.4682	0.026	5	109.4682	0.001	5	109.5665	0.369	30	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CC[6a]HO)(CH3)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CC[6a]HO)(CH3)(F)(H)	H(CCHH)	109.4780	0.043	3	109.4780	0.002	3	109.5665	0.369	30	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(H)3	C(CC[6a]N[5a]C)(CH3)(F)(H)	H(CCHH)	C(CCFH)(H)3	C(CC[6a]N[5a]C)(CH3)(F)(H)	H(CCHH)	109.4350	0.011	3	109.4350	0.000	3	109.5665	0.369	30	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CAl2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CAl2C)(CH3)(H)2	H(CCHH)	109.4687	0.055	3	109.4687	0.003	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CAlNN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CAlNN)(CH3)(H)2	H(CCHH)	109.4790	0.018	3	109.4790	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CAsHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CAsHH)(CH3)(H)2	H(CCHH)	109.5935	0.338	14	109.5935	0.114	14	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CAuHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CAuHH)(CH3)(H)2	H(CCHH)	109.3767	0.176	3	109.3767	0.031	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CBCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CBCH)(CH3)(H)2	H(CCHH)	109.4634	0.016	8	109.4634	0.000	8	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CBHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CBHH)(CH3)(H)2	H(CCHH)	109.4386	0.065	5	109.4386	0.004	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CBrCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CBrCH)(CH3)(H)2	H(CCHH)	109.4682	0.039	24	109.4682	0.002	24	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC3)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	H(CCHH)	109.5163	0.304	131	109.5163	0.093	131	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	H(CCHH)	109.6439	1.676	767	109.6439	2.809	767	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	H(CCHH)	109.7189	0.981	73	109.7189	0.962	73	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	H(CCHH)	109.4812	0.030	34	109.4812	0.001	34	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCCP)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCCP)(CH3)(H)2	H(CCHH)	109.4674	0.019	17	109.4674	0.000	17	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCCW)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCCW)(CH3)(H)2	H(CCHH)	109.4786	0.058	7	109.4786	0.003	7	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	H(CCHH)	109.5438	0.939	26181	109.5438	0.883	26181	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	H(CCHH)	109.5234	0.613	334	109.5234	0.376	334	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	H(CCHH)	109.5730	0.871	194	109.5730	0.758	194	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCHP)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCHP)(CH3)(H)2	H(CCHH)	109.4680	0.040	8	109.4680	0.002	8	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	H(CCHH)	109.5932	0.623	64	109.5932	0.388	64	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCNP)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCNP)(CH3)(H)2	H(CCHH)	109.4835	0.112	2	109.4835	0.013	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCOO)(CH3)(H)2	H(CCHH)	109.4788	0.063	16	109.4788	0.004	16	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCOW)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCOW)(CH3)(H)2	H(CCHH)	109.4335	0.035	2	109.4335	0.001	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3,3,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3,3,6]HH)(CH3)(H)2	H(CCHH)	109.4693	0.063	3	109.4693	0.004	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3,5,6]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3,5,6]HO)(CH3)(H)2	H(CCHH)	109.4670	0.051	2	109.4670	0.003	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3,6]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3,6]HO)(CH3)(H)2	H(CCHH)	109.4440	0.038	2	109.4440	0.001	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3]CH)(CH3)(H)2	H(CCHH)	109.5138	0.087	9	109.5138	0.008	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3]C[6]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3]C[6]H)(CH3)(H)2	H(CCHH)	109.4590	0.046	3	109.4590	0.002	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3]ClH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3]ClH)(CH3)(H)2	H(CCHH)	109.4303	0.124	6	109.4303	0.015	6	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3]HH)(CH3)(H)2	H(CCHH)	109.5261	0.373	17	109.5261	0.139	17	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3]HO)(CH3)(H)2	H(CCHH)	109.7233	0.702	13	109.7233	0.493	13	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[3x6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[3x6]HH)(CH3)(H)2	H(CCHH)	110.5290	0.939	21	110.5290	0.883	21	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[4,3x5,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[4,3x5,6]HH)(CH3)(H)2	H(CCHH)	109.4843	0.012	3	109.4843	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[4,5]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[4,5]HH)(CH3)(H)2	H(CCHH)	109.4328	0.048	9	109.4328	0.002	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[4]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[4]CH)(CH3)(H)2	H(CCHH)	109.4948	0.029	5	109.4948	0.001	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	H(CCHH)	109.5939	0.928	29	109.5939	0.861	29	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[4]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[4]HO)(CH3)(H)2	H(CCHH)	109.4780	0.012	3	109.4780	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5,5,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5,5,6]HH)(CH3)(H)2	H(CCHH)	109.4800	0.017	3	109.4800	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5,5]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5,5]CH)(CH3)(H)2	H(CCHH)	109.4555	0.022	2	109.4555	0.000	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5,5]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5,5]HH)(CH3)(H)2	H(CCHH)	109.4754	0.072	44	109.4754	0.005	44	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5,6,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5,6,6]HH)(CH3)(H)2	H(CCHH)	109.3919	0.817	9	109.3919	0.668	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5,6]HH)(CH3)(H)2	H(CCHH)	109.4584	0.045	14	109.4584	0.002	14	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]2C)(CH3)(H)2	H(CCHH)	109.4680	0.055	30	109.4680	0.003	30	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]BrH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]BrH)(CH3)(H)2	H(CCHH)	109.4669	0.036	11	109.4669	0.001	11	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]CC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]CC)(CH3)(H)2	H(CCHH)	109.4596	0.067	5	109.4596	0.004	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	H(CCHH)	109.4661	0.085	70	109.4661	0.007	70	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]CO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]CO)(CH3)(H)2	H(CCHH)	109.4807	0.060	16	109.4807	0.004	16	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]ClH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]ClH)(CH3)(H)2	H(CCHH)	109.4675	0.035	4	109.4675	0.001	4	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]FeH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]FeH)(CH3)(H)2	H(CCHH)	109.4565	0.046	2	109.4565	0.002	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	H(CCHH)	109.7446	1.333	388	109.7446	1.776	388	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]HN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]HN)(CH3)(H)2	H(CCHH)	109.4758	0.067	19	109.4758	0.005	19	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	H(CCHH)	109.4840	0.035	25	109.4840	0.001	25	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]HP)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]HP)(CH3)(H)2	H(CCHH)	109.3360	0.160	3	109.3360	0.026	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5]HS)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5]HS)(CH3)(H)2	H(CCHH)	109.4685	0.045	2	109.4685	0.002	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]2C)(CH3)(H)2	H(CCHH)	109.5118	0.422	192	109.5118	0.178	192	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]2H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]2H)(CH3)(H)2	H(CCHH)	109.4740	0.032	3	109.4740	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]3)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]3)(CH3)(H)2	H(CCHH)	109.4663	0.025	3	109.4663	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]CH)(CH3)(H)2	H(CCHH)	109.4622	0.030	16	109.4622	0.001	16	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]C[6a]C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]C[6a]C)(CH3)(H)2	H(CCHH)	109.4896	0.074	5	109.4896	0.006	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	H(CCHH)	109.4769	0.178	145	109.4769	0.032	145	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]HN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]HN)(CH3)(H)2	H(CCHH)	109.4640	0.031	2	109.4640	0.001	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[5a]HS)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[5a]HS)(CH3)(H)2	H(CCHH)	109.4664	0.029	9	109.4664	0.001	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6,6]HH)(CH3)(H)2	H(CCHH)	107.8793	2.204	6	107.8793	4.857	6	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]2O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]2O)(CH3)(H)2	H(CCHH)	109.4710	1.609	3	109.4710	2.589	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]BrH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]BrH)(CH3)(H)2	H(CCHH)	109.4645	0.005	2	109.4645	0.000	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]CC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]CC)(CH3)(H)2	H(CCHH)	109.5157	0.015	3	109.5157	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	H(CCHH)	109.4652	0.045	91	109.4652	0.002	91	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	H(CCHH)	109.5444	0.615	330	109.5444	0.378	330	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]HN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]HN)(CH3)(H)2	H(CCHH)	109.4678	0.038	5	109.4678	0.001	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6]HO)(CH3)(H)2	H(CCHH)	109.6278	0.504	6	109.6278	0.254	6	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]2C)(CH3)(H)2	H(CCHH)	109.4718	0.024	9	109.4718	0.001	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]2H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]2H)(CH3)(H)2	H(CCHH)	109.4725	0.042	262	109.4725	0.002	262	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]2O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]2O)(CH3)(H)2	H(CCHH)	109.4423	2.673	3	109.4423	7.147	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	H(CCHH)	109.5365	0.402	79	109.5365	0.162	79	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]CF)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]CF)(CH3)(H)2	H(CCHH)	109.8453	0.777	3	109.8453	0.604	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	H(CCHH)	109.5408	0.629	302	109.5408	0.396	302	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]CN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]CN)(CH3)(H)2	H(CCHH)	110.1843	1.189	8	110.1843	1.413	8	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	H(CCHH)	110.0748	2.198	19	110.0748	4.833	19	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C[4]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C[4]H)(CH3)(H)2	H(CCHH)	109.4710	0.013	3	109.4710	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C[5]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C[5]H)(CH3)(H)2	H(CCHH)	109.4567	0.062	3	109.4567	0.004	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C[5]O)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C[5]O)(CH3)(H)2	H(CCHH)	109.4393	0.292	3	109.4393	0.085	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C[6]C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C[6]C)(CH3)(H)2	H(CCHH)	109.5080	0.040	3	109.5080	0.002	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]C[6]H)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]C[6]H)(CH3)(H)2	H(CCHH)	109.3275	0.663	23	109.3275	0.439	23	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	H(CCHH)	109.6256	1.018	310	109.6256	1.035	310	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	H(CCHH)	109.5846	0.641	49	109.5846	0.411	49	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]HO)(CH3)(H)2	H(CCHH)	109.4682	0.124	11	109.4682	0.015	11	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]HS)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]HS)(CH3)(H)2	H(CCHH)	109.4555	0.031	12	109.4555	0.001	12	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]N[5]B)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]N[5]B)(CH3)(H)2	H(CCHH)	109.4960	0.018	2	109.4960	0.000	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]OO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]OO)(CH3)(H)2	H(CCHH)	109.4734	0.016	5	109.4734	0.000	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]PdC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]PdC)(CH3)(H)2	H(CCHH)	109.4551	0.029	8	109.4551	0.001	8	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CC[6a]RhH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CC[6a]RhH)(CH3)(H)2	H(CCHH)	109.4457	0.011	3	109.4457	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CClCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CClCH)(CH3)(H)2	H(CCHH)	109.4635	0.088	17	109.4635	0.008	17	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCu2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCu2C)(CH3)(H)2	H(CCHH)	109.4600	0.050	20	109.4600	0.003	20	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCuCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCuCC)(CH3)(H)2	H(CCHH)	109.4582	0.040	8	109.4582	0.002	8	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CCuOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CCuOO)(CH3)(H)2	H(CCHH)	109.4700	0.018	2	109.4700	0.000	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CFe2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CFe2C)(CH3)(H)2	H(CCHH)	109.4663	0.023	3	109.4663	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CFeCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CFeCC)(CH3)(H)2	H(CCHH)	109.4910	0.026	3	109.4910	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CFeOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CFeOO)(CH3)(H)2	H(CCHH)	109.5183	0.096	3	109.5183	0.009	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CGaHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CGaHH)(CH3)(H)2	H(CCHH)	109.4907	0.016	3	109.4907	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CH3)2(H)2	H(CCHH)	C(CCHH)(H)3	C(CH3)2(H)2	H(CCHH)	109.4600	0.058	28	109.4600	0.003	28	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	H(CCHH)	109.5021	0.803	1769	109.5021	0.645	1769	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	H(CCHH)	109.6313	1.166	860	109.6313	1.359	860	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	H(CCHH)	109.5288	0.467	213	109.5288	0.218	213	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	H(CCHH)	109.5228	0.657	211	109.5228	0.432	211	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CHHW)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CHHW)(CH3)(H)2	H(CCHH)	109.5227	0.052	3	109.5227	0.003	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CHNP)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CHNP)(CH3)(H)2	H(CCHH)	109.4632	0.028	9	109.4632	0.001	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CIrHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CIrHH)(CH3)(H)2	H(CCHH)	109.4623	0.038	3	109.4623	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CIrOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CIrOO)(CH3)(H)2	H(CCHH)	109.5050	0.021	3	109.5050	0.000	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CLiSiH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CLiSiH)(CH3)(H)2	H(CCHH)	109.4863	0.046	3	109.4863	0.002	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CMnHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CMnHH)(CH3)(H)2	H(CCHH)	109.4685	0.006	2	109.4685	0.000	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CMoCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CMoCC)(CH3)(H)2	H(CCHH)	109.4786	0.036	5	109.4786	0.001	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CMoCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CMoCH)(CH3)(H)2	H(CCHH)	109.4850	0.027	3	109.4850	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CNNY)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CNNY)(CH3)(H)2	H(CCHH)	110.3330	0.677	3	110.3330	0.458	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CNPP)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CNPP)(CH3)(H)2	H(CCHH)	109.4719	0.026	9	109.4719	0.001	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[3x6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[3x6]HH)(CH3)(H)2	H(CCHH)	109.4443	0.032	3	109.4443	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[4]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[4]HH)(CH3)(H)2	H(CCHH)	110.0451	1.003	15	110.0451	1.006	15	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	H(CCHH)	109.4939	0.419	94	109.4939	0.176	94	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	H(CCHH)	109.5183	0.995	456	109.5183	0.990	456	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5]HO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5]HO)(CH3)(H)2	H(CCHH)	109.4868	0.066	6	109.4868	0.004	6	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5a]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5a]CH)(CH3)(H)2	H(CCHH)	109.4822	0.047	16	109.4822	0.002	16	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	H(CCHH)	109.4952	0.245	100	109.4952	0.060	100	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[6,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[6,6]HH)(CH3)(H)2	H(CCHH)	109.4563	0.025	3	109.4563	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[6]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[6]CH)(CH3)(H)2	H(CCHH)	109.4715	0.129	31	109.4715	0.017	31	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	H(CCHH)	109.4869	0.200	259	109.4869	0.040	259	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[6a]CH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[6a]CH)(CH3)(H)2	H(CCHH)	109.4871	0.093	34	109.4871	0.009	34	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	H(CCHH)	109.5480	0.496	77	109.5480	0.246	77	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CNiCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CNiCH)(CH3)(H)2	H(CCHH)	109.4653	0.028	3	109.4653	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CNiHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CNiHH)(CH3)(H)2	H(CCHH)	109.4545	0.022	2	109.4545	0.000	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CNpOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CNpOO)(CH3)(H)2	H(CCHH)	109.4762	0.042	9	109.4762	0.002	9	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(COOU)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(COOU)(CH3)(H)2	H(CCHH)	109.4571	0.054	10	109.4571	0.003	10	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CP[5]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CP[5]HH)(CH3)(H)2	H(CCHH)	109.4795	0.028	2	109.4795	0.001	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CP[6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CP[6]HH)(CH3)(H)2	H(CCHH)	109.4583	0.060	3	109.4583	0.004	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CPdCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CPdCC)(CH3)(H)2	H(CCHH)	110.0468	2.389	20	110.0468	5.705	20	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CPdCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CPdCH)(CH3)(H)2	H(CCHH)	109.4630	0.019	7	109.4630	0.000	7	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CPtCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CPtCC)(CH3)(H)2	H(CCHH)	109.4743	0.027	3	109.4743	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CPuOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CPuOO)(CH3)(H)2	H(CCHH)	109.4633	0.063	7	109.4633	0.004	7	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRhBC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRhBC)(CH3)(H)2	H(CCHH)	109.4698	0.025	5	109.4698	0.001	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRhCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRhCH)(CH3)(H)2	H(CCHH)	109.4163	0.021	4	109.4163	0.000	4	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRhHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRhHH)(CH3)(H)2	H(CCHH)	109.4723	0.032	3	109.4723	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRu2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRu2C)(CH3)(H)2	H(CCHH)	109.4670	0.035	5	109.4670	0.001	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRuCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRuCC)(CH3)(H)2	H(CCHH)	109.4762	0.034	5	109.4762	0.001	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRuCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRuCH)(CH3)(H)2	H(CCHH)	109.4655	0.044	13	109.4655	0.002	13	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CRuOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CRuOO)(CH3)(H)2	H(CCHH)	109.4663	0.057	3	109.4663	0.003	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSeHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSeHH)(CH3)(H)2	H(CCHH)	109.4950	0.037	2	109.4950	0.001	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSiHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSiHH)(CH3)(H)2	H(CCHH)	109.4534	0.075	33	109.4534	0.006	33	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSi[5,5,6]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSi[5,5,6]HH)(CH3)(H)2	H(CCHH)	109.4805	0.036	4	109.4805	0.001	4	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSi[5]HH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSi[5]HH)(CH3)(H)2	H(CCHH)	109.4873	0.041	3	109.4873	0.002	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSmOO)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSmOO)(CH3)(H)2	H(CCHH)	109.4952	0.023	5	109.4952	0.001	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CSnCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CSnCH)(CH3)(H)2	H(CCHH)	109.4444	0.055	5	109.4444	0.003	5	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CTa2C)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CTa2C)(CH3)(H)2	H(CCHH)	109.4437	0.030	12	109.4437	0.001	12	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CTaCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CTaCC)(CH3)(H)2	H(CCHH)	109.4655	0.022	2	109.4655	0.000	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CTaHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CTaHH)(CH3)(H)2	H(CCHH)	109.4593	0.031	3	109.4593	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CZnCH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CZnCH)(CH3)(H)2	H(CCHH)	109.4762	0.030	22	109.4762	0.001	22	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CZnHH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CZnHH)(CH3)(H)2	H(CCHH)	109.4907	0.025	3	109.4907	0.001	3	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CZrCC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CZrCC)(CH3)(H)2	H(CCHH)	109.4530	0.040	2	109.4530	0.002	2	109.5462	0.865	35080	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(H)3	C(CC[6a]N[5a]H)(CH3)(H)(I)	H(CCHH)	C(CCHI)(H)3	C(CC[6a]N[5a]H)(CH3)(H)(I)	H(CCHH)	109.4820	0.027	3	109.4820	0.001	3	109.4630	0.001	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(H)3	C(CHHN)(CH3)(H)(I)	H(CCHH)	C(CCHI)(H)3	C(CHHN)(CH3)(H)(I)	H(CCHH)	109.4440	0.041	3	109.4440	0.002	3	109.4630	0.001	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:N-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(H)(N)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(H)(N)	H(CCHH)	110.8423	1.861	3	110.8423	3.464	3	109.6419	0.573	22	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:N-1:	C-4:	C(CCHN)(H)3	C(CHHO)(CH3)(H)(N)	H(CCHH)	C(CCHN)(H)3	C(CHHO)(CH3)(H)(N)	H(CCHH)	109.4523	0.077	19	109.4523	0.006	19	109.6419	0.573	22	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(CCHO)(H)3	C(CCHN)(CH3)(H)(O)	H(CCHH)	C(CCHO)(H)3	C(CCHN)(CH3)(H)(O)	H(CCHH)	109.4750	0.012	3	109.4750	0.000	3	109.4074	0.570	45	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(CCHO)(H)3	C(CH3)2(H)(O)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(H)(O)	H(CCHH)	109.4025	0.782	42	109.4025	0.611	42	109.4074	0.570	45	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:S-1:	C-4:	C(CCHS)(H)3	C(CN[5a]HH)(CH3)(H)(S)	H(CCHH)	C(CCHS)(H)3	C(CN[5a]HH)(CH3)(H)(S)	H(CCHH)	109.4600	0.013	3	109.4600	0.000	3	109.4600	0.000	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NC3)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NC3)(H)2	H(CCHH)	109.5120	0.755	7058	109.5120	0.571	7058	109.5115	0.553	7345	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(CH3)(NH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(CH3)(NH3)(H)2	H(CCHH)	109.4980	0.332	287	109.4980	0.110	287	109.5115	0.553	7345	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(CH3)(PC3)(H)2	H(CCHH)	C(CHHP)(H)3	C(CH3)(PC3)(H)2	H(CCHH)	109.5461	0.372	122	109.5461	0.138	122	109.5461	0.138	122	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(CH3)(SO3)(H)2	H(CCHH)	C(CHHS)(H)3	C(CH3)(SO3)(H)2	H(CCHH)	109.4631	0.040	11	109.4631	0.002	11	109.4631	0.002	11	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,3,6]HH)(H)3	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	H(CCHH)	C(CC[3,3,6]HH)(H)3	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	H(CCHH)	109.4447	0.017	3	109.4447	0.000	3	109.4447	0.000	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,3]-4:C-4:H-1:H-1:	C-4:	C(CC[3,3]HH)(H)3	C(C[3,3]Nb[6x3]C[3,3]2)(CH3)(H)2	H(CCHH)	C(CC[3,3]HH)(H)3	C(C[3,3]Nb[6x3]C[3,3]2)(CH3)(H)2	H(CCHH)	109.4673	0.052	3	109.4673	0.003	3	109.4718	0.004	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,3]-4:C-4:H-1:H-1:	C-4:	C(CC[3,3]HH)(H)3	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	H(CCHH)	C(CC[3,3]HH)(H)3	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	H(CCHH)	109.4763	0.085	3	109.4763	0.007	3	109.4718	0.004	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5,5]HH)(H)3	C(C[3,5,5]C[3,5]2C[5,5])(CH3)(H)2	H(CCHH)	C(CC[3,5,5]HH)(H)3	C(C[3,5,5]C[3,5]2C[5,5])(CH3)(H)2	H(CCHH)	109.4810	0.004	2	109.4810	0.000	2	109.4810	0.000	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5,6]HH)(H)3	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	H(CCHH)	C(CC[3,5,6]HH)(H)3	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	H(CCHH)	109.4730	0.103	3	109.4730	0.011	3	109.4730	0.011	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(H)3	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	H(CCHH)	C(CC[3,5]HH)(H)3	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	H(CCHH)	109.4770	0.009	3	109.4770	0.000	3	109.4770	0.000	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(H)3	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	H(CCHH)	C(CC[3,6]HH)(H)3	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	H(CCHH)	111.9790	2.916	3	111.9790	8.501	3	110.7390	5.249	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(H)3	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	H(CCHH)	C(CC[3,6]HH)(H)3	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	H(CCHH)	109.4990	0.094	3	109.4990	0.009	3	110.7390	5.249	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	H(CCHH)	109.4515	0.035	2	109.4515	0.001	2	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3,6]2H)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3,6]2H)(CH3)(H)2	H(CCHH)	110.8470	0.642	3	110.8470	0.412	3	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3]2C)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3]2C)(CH3)(H)2	H(CCHH)	109.5633	0.573	22	109.5633	0.329	22	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3]2H)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3]2H)(CH3)(H)2	H(CCHH)	109.4715	0.028	8	109.4715	0.001	8	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3]C[6]O[3])(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3]C[6]O[3])(CH3)(H)2	H(CCHH)	109.4767	0.031	3	109.4767	0.001	3	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3]N[3]C)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3]N[3]C)(CH3)(H)2	H(CCHH)	109.4736	0.057	12	109.4736	0.003	12	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3]N[3]H)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3]N[3]H)(CH3)(H)2	H(CCHH)	109.4733	0.018	3	109.4733	0.000	3	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3]O[3]H)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3]O[3]H)(CH3)(H)2	H(CCHH)	109.4624	0.047	12	109.4624	0.002	12	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	H(CCHH)	109.4537	0.022	3	109.4537	0.000	3	109.5596	0.196	68	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x4]-4:C-4:Cl-1:Cl-1:	C-4:	C(CC[3x4]Cl2)(H)3	C(C[3x4]C[4,4]3)(CH3)(Cl)2	H(CCHH)	C(CC[3x4]Cl2)(H)3	C(C[3x4]C[4,4]3)(CH3)(Cl)2	H(CCHH)	109.4827	0.024	3	109.4827	0.001	3	109.4827	0.001	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	H(CCHH)	109.4613	0.017	3	109.4613	0.000	3	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	H(CCHH)	109.4455	0.012	2	109.4455	0.000	2	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	H(CCHH)	109.4970	0.061	2	109.4970	0.004	2	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	H(CCHH)	110.3817	3.061	32	110.3817	9.371	32	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]3)(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]3)(CH3)(H)2	H(CCHH)	109.4733	0.043	47	109.4733	0.002	47	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	H(CCHH)	109.4687	0.020	3	109.4687	0.000	3	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	H(CCHH)	109.4502	0.036	8	109.4502	0.001	8	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	H(CCHH)	C(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	H(CCHH)	109.4938	0.045	5	109.4938	0.002	5	109.7569	3.058	102	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)(H)2	H(CCHH)	C(CC[4,5]HH)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)(H)2	H(CCHH)	108.0103	2.242	6	108.0103	5.026	6	108.0103	5.026	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,6,6]HH)(H)3	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(CH3)(H)2	H(CCHH)	C(CC[4,6,6]HH)(H)3	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(CH3)(H)2	H(CCHH)	109.4773	0.044	3	109.4773	0.002	3	109.4773	0.002	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,6]HH)(H)3	C(C[4,6]C[4,6]2N[6])(CH3)(H)2	H(CCHH)	C(CC[4,6]HH)(H)3	C(C[4,6]C[4,6]2N[6])(CH3)(H)2	H(CCHH)	109.4703	0.038	16	109.4703	0.001	16	109.4714	0.001	21	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,6]HH)(H)3	C(C[4,6]C[6,6a]C[4,6]C[4])(CH3)(H)2	H(CCHH)	C(CC[4,6]HH)(H)3	C(C[4,6]C[6,6a]C[4,6]C[4])(CH3)(H)2	H(CCHH)	109.4750	0.017	5	109.4750	0.000	5	109.4714	0.001	21	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]B[4]C[4]Rh)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]B[4]C[4]Rh)(CH3)(H)2	H(CCHH)	109.4646	0.041	5	109.4646	0.002	5	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4,5]C[4]C)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4,5]C[4]C)(CH3)(H)2	H(CCHH)	109.4722	0.027	18	109.4722	0.001	18	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4,5]C[6a]C[4])(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4,5]C[6a]C[4])(CH3)(H)2	H(CCHH)	109.4570	0.000	1	109.4570	0.000	1	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4,6]C[4]H)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4,6]C[4]H)(CH3)(H)2	H(CCHH)	109.4875	0.057	2	109.4875	0.003	2	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4,6a]C[4]O)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4,6a]C[4]O)(CH3)(H)2	H(CCHH)	109.4682	0.024	4	109.4682	0.001	4	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4]2C)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4]2C)(CH3)(H)2	H(CCHH)	109.4852	0.035	12	109.4852	0.001	12	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4]2H)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4]2H)(CH3)(H)2	H(CCHH)	109.4630	0.040	5	109.4630	0.002	5	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4]2Ni)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4]2Ni)(CH3)(H)2	H(CCHH)	109.4716	0.048	37	109.4716	0.002	37	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4]N[4]Rh)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4]N[4]Rh)(CH3)(H)2	H(CCHH)	109.4590	0.038	3	109.4590	0.001	3	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[4]P[4]H)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[4]P[4]H)(CH3)(H)2	H(CCHH)	109.4817	0.038	30	109.4817	0.001	30	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(H)3	C(C[4]C[6a]C[4]2)(CH3)(H)2	H(CCHH)	C(CC[4]HH)(H)3	C(C[4]C[6a]C[4]2)(CH3)(H)2	H(CCHH)	109.4638	0.036	14	109.4638	0.001	14	109.4736	0.002	131	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:H-1:O-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4,5]C[4]H)(CH3)(H)(O)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4,5]C[4]H)(CH3)(H)(O)	H(CCHH)	111.8857	2.674	3	111.8857	7.149	3	111.8857	7.149	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	H(CCHH)	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	H(CCHH)	109.4607	0.029	3	109.4607	0.001	3	109.9778	1.008	26	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	H(CCHH)	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	H(CCHH)	109.4517	0.025	3	109.4517	0.001	3	109.9778	1.008	26	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	H(CCHH)	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	H(CCHH)	109.4708	0.027	5	109.4708	0.001	5	109.9778	1.008	26	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	H(CCHH)	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	H(CCHH)	111.3646	1.063	7	111.3646	1.130	7	109.9778	1.008	26	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	H(CCHH)	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	H(CCHH)	109.4770	0.020	5	109.4770	0.000	5	109.9778	1.008	26	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	H(CCHH)	C(CC[5,5,6]HH)(H)3	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	H(CCHH)	109.4653	0.045	3	109.4653	0.002	3	109.9778	1.008	26	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(H)3	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	H(CCHH)	C(CC[5,5]HH)(H)3	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	H(CCHH)	109.4487	0.025	3	109.4487	0.001	3	109.4647	0.002	46	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(H)3	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	H(CCHH)	C(CC[5,5]HH)(H)3	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	H(CCHH)	109.4693	0.025	3	109.4693	0.001	3	109.4647	0.002	46	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	H(CCHH)	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	H(CCHH)	109.4678	0.038	5	109.4678	0.001	5	109.4647	0.002	46	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	H(CCHH)	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	H(CCHH)	109.4625	0.028	6	109.4625	0.001	6	109.4647	0.002	46	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	H(CCHH)	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	H(CCHH)	109.4580	0.010	2	109.4580	0.000	2	109.4647	0.002	46	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	H(CCHH)	C(CC[5,5]HH)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	H(CCHH)	109.4653	0.058	9	109.4653	0.003	9	109.4647	0.002	46	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(H)3	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	H(CCHH)	C(CC[5,5]HH)(H)3	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	H(CCHH)	109.4668	0.041	18	109.4668	0.002	18	109.4647	0.002	46	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	H(CCHH)	109.4726	0.028	26	109.4726	0.001	26	109.7531	1.468	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	H(CCHH)	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	H(CCHH)	113.4070	2.918	3	113.4070	8.512	3	109.7531	1.468	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	H(CCHH)	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	H(CCHH)	109.4693	0.037	3	109.4693	0.001	3	109.7531	1.468	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	H(CCHH)	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	H(CCHH)	109.4728	0.050	5	109.4728	0.002	5	109.7531	1.468	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	H(CCHH)	C(CC[5,6,6]HH)(H)3	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	H(CCHH)	109.4696	0.034	5	109.4696	0.001	5	109.7531	1.468	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	H(CCHH)	109.4890	0.060	3	109.4890	0.004	3	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	H(CCHH)	109.4799	0.024	11	109.4799	0.001	11	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	H(CCHH)	109.4776	0.029	5	109.4776	0.001	5	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]2H)(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]2H)(CH3)(H)2	H(CCHH)	109.4617	0.032	3	109.4617	0.001	3	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	H(CCHH)	109.4612	0.037	9	109.4612	0.001	9	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	H(CCHH)	109.5860	0.306	24	109.5860	0.094	24	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	H(CCHH)	109.4685	0.006	2	109.4685	0.000	2	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	H(CCHH)	109.4773	0.028	3	109.4773	0.001	3	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	H(CCHH)	110.4047	0.451	3	110.4047	0.203	3	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	H(CCHH)	111.4703	3.375	3	111.4703	11.388	3	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(H)3	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	H(CCHH)	C(CC[5,6]HH)(H)3	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	H(CCHH)	109.5033	0.015	3	109.5033	0.000	3	109.6411	0.563	69	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(H)3	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	H(CCHH)	C(CC[5]BrH)(H)3	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	H(CCHH)	109.4637	0.032	3	109.4637	0.001	3	109.4647	0.001	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(H)3	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	H(CCHH)	C(CC[5]BrH)(H)3	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	H(CCHH)	109.4657	0.026	3	109.4657	0.001	3	109.4647	0.001	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]ClH)(H)3	C(C[5]C[5]2H)(CH3)(Cl)(H)	H(CCHH)	C(CC[5]ClH)(H)3	C(C[5]C[5]2H)(CH3)(Cl)(H)	H(CCHH)	109.4494	0.033	9	109.4494	0.001	9	109.4494	0.001	9	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:F-1:H-1:	C-4:	C(CC[5]FH)(H)3	C(C[5]C[5]O[5]C)(CH3)(F)(H)	H(CCHH)	C(CC[5]FH)(H)3	C(C[5]C[5]O[5]C)(CH3)(F)(H)	H(CCHH)	109.4832	0.047	6	109.4832	0.002	6	109.4832	0.002	6	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]B[5]P[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]B[5]P[5]H)(CH3)(H)2	H(CCHH)	109.4838	0.034	5	109.4838	0.001	5	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[4,5]C[5]H)(CH3)(H)2	H(CCHH)	109.4762	0.014	6	109.4762	0.000	6	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	H(CCHH)	109.5023	0.046	3	109.5023	0.002	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	H(CCHH)	109.5040	0.027	3	109.5040	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]2H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]2H)(CH3)(H)2	H(CCHH)	109.4737	0.047	3	109.4737	0.002	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5]C)(CH3)(H)2	H(CCHH)	109.4947	0.023	3	109.4947	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5]H)(CH3)(H)2	H(CCHH)	109.4745	0.024	8	109.4745	0.001	8	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5]O)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[5]O)(CH3)(H)2	H(CCHH)	109.5377	0.021	3	109.5377	0.000	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	H(CCHH)	109.4503	0.052	3	109.4503	0.003	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]N[5]H)(CH3)(H)2	H(CCHH)	109.4724	0.036	15	109.4724	0.001	15	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]O[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]O[5]C)(CH3)(H)2	H(CCHH)	109.4527	0.027	3	109.4527	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5]O[5]O)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5]O[5]O)(CH3)(H)2	H(CCHH)	109.4205	0.015	2	109.4205	0.000	2	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5a]2C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5a]2C)(CH3)(H)2	H(CCHH)	109.4845	0.074	13	109.4845	0.005	13	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	H(CCHH)	109.4737	0.028	3	109.4737	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]2C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]2C)(CH3)(H)2	H(CCHH)	109.4884	0.039	5	109.4884	0.001	5	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]C)(CH3)(H)2	H(CCHH)	109.4716	0.035	48	109.4716	0.001	48	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(H)2	H(CCHH)	109.4783	0.034	3	109.4783	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]O)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]O)(CH3)(H)2	H(CCHH)	109.4453	0.053	3	109.4453	0.003	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]Ru)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]Ru)(CH3)(H)2	H(CCHH)	109.4897	0.030	3	109.4897	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)(H)2	H(CCHH)	109.4696	0.079	26	109.4696	0.006	26	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	H(CCHH)	109.4800	0.008	2	109.4800	0.000	2	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]N[5]H)(CH3)(H)2	H(CCHH)	109.4745	0.032	27	109.4745	0.001	27	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]O[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]O[5]C)(CH3)(H)2	H(CCHH)	109.5665	0.739	36	109.5665	0.546	36	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6]O[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6]O[5]H)(CH3)(H)2	H(CCHH)	109.4848	0.019	5	109.4848	0.000	5	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]2C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]2C)(CH3)(H)2	H(CCHH)	109.5092	0.254	176	109.5092	0.064	176	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]2N[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]2N[5])(CH3)(H)2	H(CCHH)	109.4783	0.050	14	109.4783	0.003	14	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	H(CCHH)	109.4870	0.008	2	109.4870	0.000	2	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	H(CCHH)	109.4711	0.046	348	109.4711	0.002	348	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	H(CCHH)	109.4813	0.047	3	109.4813	0.002	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	H(CCHH)	109.4637	0.052	9	109.4637	0.003	9	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	H(CCHH)	109.4752	0.020	6	109.4752	0.000	6	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	H(CCHH)	109.4823	0.008	3	109.4823	0.000	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	H(CCHH)	109.4455	0.011	2	109.4455	0.000	2	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	H(CCHH)	109.4742	0.027	12	109.4742	0.001	12	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	H(CCHH)	109.4777	0.041	3	109.4777	0.002	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	H(CCHH)	109.4614	0.016	5	109.4614	0.000	5	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	H(CCHH)	109.4885	0.036	4	109.4885	0.001	4	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	H(CCHH)	109.6867	0.610	16	109.6867	0.372	16	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2C)(CH3)(H)2	H(CCHH)	109.5748	0.460	178	109.5748	0.211	178	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Co)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Co)(CH3)(H)2	H(CCHH)	109.4460	0.024	3	109.4460	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Cr)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Cr)(CH3)(H)2	H(CCHH)	109.4706	0.056	125	109.4706	0.003	125	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Fe)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Fe)(CH3)(H)2	H(CCHH)	109.4862	0.072	34	109.4862	0.005	34	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2H)(CH3)(H)2	H(CCHH)	109.9339	2.043	55	109.9339	4.175	55	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Hf)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Hf)(CH3)(H)2	H(CCHH)	109.4570	0.054	11	109.4570	0.003	11	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Ir)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Ir)(CH3)(H)2	H(CCHH)	109.4871	0.037	7	109.4871	0.001	7	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Mn)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Mn)(CH3)(H)2	H(CCHH)	109.4730	0.035	29	109.4730	0.001	29	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2O)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2O)(CH3)(H)2	H(CCHH)	109.4617	0.046	6	109.4617	0.002	6	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2O[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2O[5])(CH3)(H)2	H(CCHH)	109.5408	0.142	6	109.5408	0.020	6	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Pd)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Pd)(CH3)(H)2	H(CCHH)	109.4750	0.029	5	109.4750	0.001	5	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Re)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Re)(CH3)(H)2	H(CCHH)	109.4753	0.026	3	109.4753	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Rh)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Rh)(CH3)(H)2	H(CCHH)	109.4759	0.064	18	109.4759	0.004	18	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Ru)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Ru)(CH3)(H)2	H(CCHH)	109.4878	1.060	40	109.4878	1.123	40	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Ti)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Ti)(CH3)(H)2	H(CCHH)	109.4764	1.639	19	109.4764	2.686	19	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2U)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2U)(CH3)(H)2	H(CCHH)	109.4811	0.033	10	109.4811	0.001	10	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2W)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2W)(CH3)(H)2	H(CCHH)	109.4576	0.060	23	109.4576	0.004	23	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Zn)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Zn)(CH3)(H)2	H(CCHH)	109.4750	0.014	4	109.4750	0.000	4	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2Zr)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2Zr)(CH3)(H)2	H(CCHH)	109.6197	1.811	46	109.6197	3.279	46	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]N[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]N[5]C)(CH3)(H)2	H(CCHH)	109.4851	0.071	36	109.4851	0.005	36	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]N[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]N[5]H)(CH3)(H)2	H(CCHH)	109.5186	0.212	56	109.5186	0.045	56	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]N[5]O)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]N[5]O)(CH3)(H)2	H(CCHH)	109.4850	0.018	2	109.4850	0.000	2	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]O[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]O[5]C)(CH3)(H)2	H(CCHH)	109.5435	1.264	20	109.5435	1.597	20	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]O[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]O[5]H)(CH3)(H)2	H(CCHH)	109.4686	2.157	15	109.4686	4.651	15	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]Fe)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]Fe)(CH3)(H)2	H(CCHH)	109.4646	0.033	18	109.4646	0.001	18	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]H)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]H)(CH3)(H)2	H(CCHH)	109.4726	0.046	16	109.4726	0.002	16	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]Ru)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]Ru)(CH3)(H)2	H(CCHH)	109.4590	0.027	3	109.4590	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]W)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]P[5]W)(CH3)(H)2	H(CCHH)	109.4654	0.083	5	109.4654	0.007	5	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[6a]C[5]2)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[6a]C[5]2)(CH3)(H)2	H(CCHH)	109.4649	0.045	11	109.4649	0.002	11	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	H(CCHH)	109.4580	0.007	3	109.4580	0.000	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	H(CCHH)	109.4720	0.006	2	109.4720	0.000	2	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5]2C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5]2C)(CH3)(H)2	H(CCHH)	109.5177	0.025	3	109.5177	0.001	3	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5]O[5]C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5]O[5]C)(CH3)(H)2	H(CCHH)	109.4470	0.042	2	109.4470	0.002	2	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]N[5]O[5]O)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]N[5]O[5]O)(CH3)(H)2	H(CCHH)	109.4947	0.036	6	109.4947	0.001	6	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]O[5]2C)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]O[5]2C)(CH3)(H)2	H(CCHH)	109.6070	1.482	34	109.6070	2.197	34	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]Si[5]C[5]Rh)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]Si[5]C[5]Rh)(CH3)(H)2	H(CCHH)	109.4812	0.051	6	109.4812	0.003	6	109.5160	0.428	1694	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:	C(CC[5]HI)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	H(CCHH)	C(CC[5]HI)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	H(CCHH)	109.5098	0.055	6	109.5098	0.003	6	109.4827	0.003	12	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:	C(CC[5]HI)(H)3	C(C[5]C[5]N[5]C)(CH3)(H)(I)	H(CCHH)	C(CC[5]HI)(H)3	C(C[5]C[5]N[5]C)(CH3)(H)(I)	H(CCHH)	109.4440	0.032	3	109.4440	0.001	3	109.4827	0.003	12	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:	C(CC[5]HI)(H)3	C(C[5]C[5]N[5]H)(CH3)(H)(I)	H(CCHH)	C(CC[5]HI)(H)3	C(C[5]C[5]N[5]H)(CH3)(H)(I)	H(CCHH)	109.4673	0.026	3	109.4673	0.001	3	109.4827	0.003	12	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CCHH)	109.4669	0.039	49	109.4669	0.002	49	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	H(CCHH)	109.4592	0.037	4	109.4592	0.001	4	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	H(CCHH)	109.9042	1.056	29	109.9042	1.116	29	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	H(CCHH)	109.4795	0.016	2	109.4795	0.000	2	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	H(CCHH)	109.4693	0.019	3	109.4693	0.000	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	H(CCHH)	109.4850	0.034	3	109.4850	0.001	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	H(CCHH)	109.4731	0.038	50	109.4731	0.001	50	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	H(CCHH)	109.4559	0.056	12	109.4559	0.003	12	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	H(CCHH)	109.4527	0.019	3	109.4527	0.000	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	H(CCHH)	110.8053	0.147	3	110.8053	0.022	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	H(CCHH)	109.4680	0.047	59	109.4680	0.002	59	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	H(CCHH)	109.4747	0.018	3	109.4747	0.000	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6]2H)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6]2H)(CH3)(H)2	H(CCHH)	111.1123	0.542	3	111.1123	0.293	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6]2O)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6]2O)(CH3)(H)2	H(CCHH)	109.4557	0.022	3	109.4557	0.000	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	H(CCHH)	109.4754	0.034	20	109.4754	0.001	20	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	H(CCHH)	109.4516	0.029	5	109.4516	0.001	5	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	H(CCHH)	109.4800	0.021	2	109.4800	0.000	2	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	H(CCHH)	109.4100	0.056	3	109.4100	0.003	3	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(H)3	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	H(CCHH)	C(CC[6,6]HH)(H)3	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	H(CCHH)	109.4597	0.053	4	109.4597	0.003	4	109.5507	0.191	260	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-1:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CH3)(C)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CH3)(C)(H)	H(CCHH)	109.4660	0.072	3	109.4660	0.005	3	109.4660	0.005	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]B[6]P[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]B[6]P[6]H)(CH3)(H)2	H(CCHH)	109.4990	0.008	2	109.4990	0.000	2	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[3,6]C[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[3,6]C[6]H)(CH3)(H)2	H(CCHH)	109.4806	0.013	5	109.4806	0.000	5	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[3,6]N[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[3,6]N[6]H)(CH3)(H)2	H(CCHH)	109.4945	0.021	2	109.4945	0.000	2	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[3]S[6]2)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[3]S[6]2)(CH3)(H)2	H(CCHH)	109.4927	0.023	3	109.4927	0.001	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5,5,6]C[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5,5,6]C[6]H)(CH3)(H)2	H(CCHH)	109.4893	0.017	3	109.4893	0.000	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5,6]2H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5,6]2H)(CH3)(H)2	H(CCHH)	109.4803	0.013	3	109.4803	0.000	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5,6]C[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5,6]C[6]C)(CH3)(H)2	H(CCHH)	109.4675	0.032	15	109.4675	0.001	15	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(H)2	H(CCHH)	109.6112	0.572	38	109.6112	0.327	38	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5,6]O[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5,6]O[6]H)(CH3)(H)2	H(CCHH)	109.4737	0.036	3	109.4737	0.001	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5,6]O[6]O)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5,6]O[6]O)(CH3)(H)2	H(CCHH)	109.5010	0.008	2	109.5010	0.000	2	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	H(CCHH)	109.4739	0.042	16	109.4739	0.002	16	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	H(CCHH)	109.4653	0.026	3	109.4653	0.001	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	H(CCHH)	109.4593	0.020	3	109.4593	0.000	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	H(CCHH)	109.4693	0.024	9	109.4693	0.001	9	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6]C)(CH3)(H)2	H(CCHH)	109.6979	0.682	17	109.6979	0.465	17	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(H)2	H(CCHH)	109.4706	0.043	23	109.4706	0.002	23	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	H(CCHH)	109.4507	0.018	3	109.4507	0.000	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6]O[6]H)(CH3)(H)2	H(CCHH)	109.4733	0.037	6	109.4733	0.001	6	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]2H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]2H)(CH3)(H)2	H(CCHH)	109.4658	0.024	13	109.4658	0.001	13	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	H(CCHH)	109.4802	0.024	21	109.4802	0.001	21	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	H(CCHH)	109.4844	0.032	20	109.4844	0.001	20	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	H(CCHH)	109.4586	0.033	8	109.4586	0.001	8	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	H(CCHH)	109.4645	0.040	6	109.4645	0.002	6	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	H(CCHH)	109.4940	0.032	5	109.4940	0.001	5	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	H(CCHH)	109.4853	0.007	3	109.4853	0.000	3	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	H(CCHH)	109.4584	0.025	5	109.4584	0.001	5	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2C)(CH3)(H)2	H(CCHH)	109.6489	0.682	288	109.6489	0.465	288	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2Co)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2Co)(CH3)(H)2	H(CCHH)	109.4602	0.055	10	109.4602	0.003	10	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2Cr)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2Cr)(CH3)(H)2	H(CCHH)	109.4717	0.035	43	109.4717	0.001	43	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2H)(CH3)(H)2	H(CCHH)	109.5258	1.169	174	109.5258	1.366	174	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2Mn)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2Mn)(CH3)(H)2	H(CCHH)	109.4721	0.050	12	109.4721	0.003	12	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2N)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2N)(CH3)(H)2	H(CCHH)	110.8423	2.675	19	110.8423	7.154	19	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2N[6])(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2N[6])(CH3)(H)2	H(CCHH)	109.4705	0.025	10	109.4705	0.001	10	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2O)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2O)(CH3)(H)2	H(CCHH)	109.4743	0.039	22	109.4743	0.002	22	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2Re)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2Re)(CH3)(H)2	H(CCHH)	109.4664	0.080	11	109.4664	0.006	11	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2Ru)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2Ru)(CH3)(H)2	H(CCHH)	109.4683	0.055	43	109.4683	0.003	43	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]2V)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]2V)(CH3)(H)2	H(CCHH)	109.4681	0.036	8	109.4681	0.001	8	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]3)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]3)(CH3)(H)2	H(CCHH)	109.4473	0.036	9	109.4473	0.001	9	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]N[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]N[6]H)(CH3)(H)2	H(CCHH)	109.4634	0.035	45	109.4634	0.001	45	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]N[6]O)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]N[6]O)(CH3)(H)2	H(CCHH)	109.4735	0.067	2	109.4735	0.005	2	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]O[6]C)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]O[6]C)(CH3)(H)2	H(CCHH)	109.4675	0.029	15	109.4675	0.001	15	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]O[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]O[6]H)(CH3)(H)2	H(CCHH)	110.2425	1.387	12	110.2425	1.925	12	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]O[6]O)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]O[6]O)(CH3)(H)2	H(CCHH)	110.9788	1.760	9	110.9788	3.098	9	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6]S[6]H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6]S[6]H)(CH3)(H)2	H(CCHH)	109.4578	0.071	32	109.4578	0.005	32	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]C[6a]C[6]2)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]C[6a]C[6]2)(CH3)(H)2	H(CCHH)	109.4656	0.036	58	109.4656	0.001	58	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]O[6]2H)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]O[6]2H)(CH3)(H)2	H(CCHH)	109.4702	0.019	8	109.4702	0.000	8	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)3	C(C[6]Si[6]C[6]Li)(CH3)(H)2	H(CCHH)	C(CC[6]HH)(H)3	C(C[6]Si[6]C[6]Li)(CH3)(H)2	H(CCHH)	109.4738	0.040	6	109.4738	0.002	6	109.5809	0.584	1073	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:O-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2Cr)(CH3)(H)(O)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2Cr)(CH3)(H)(O)	H(CCHH)	109.9283	0.976	3	109.9283	0.952	3	109.9283	0.952	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(CGaHH)(H)3	C(GaBiCC)(CH3)(H)2	H(CCHH)	C(CGaHH)(H)3	C(GaBiCC)(CH3)(H)2	H(CCHH)	109.4551	0.035	7	109.4551	0.001	7	109.8137	8.153	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(CGaHH)(H)3	C(GaCOO)(CH3)(H)2	H(CCHH)	C(CGaHH)(H)3	C(GaCOO)(CH3)(H)2	H(CCHH)	110.5267	5.085	12	110.5267	25.858	12	109.8137	8.153	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(CGaHH)(H)3	C(GaCSS)(CH3)(H)2	H(CCHH)	C(CGaHH)(H)3	C(GaCSS)(CH3)(H)2	H(CCHH)	109.4576	0.026	8	109.4576	0.001	8	109.8137	8.153	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(CGaHH)(H)3	C(GaN[6]CC)(CH3)(H)2	H(CCHH)	C(CGaHH)(H)3	C(GaN[6]CC)(CH3)(H)2	H(CCHH)	109.4996	0.064	5	109.4996	0.004	5	109.8137	8.153	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(CGaHH)(H)3	C(GaSnCC)(CH3)(H)2	H(CCHH)	C(CGaHH)(H)3	C(GaSnCC)(CH3)(H)2	H(CCHH)	109.4886	0.043	5	109.4886	0.002	5	109.8137	8.153	37	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:H-1:H-1:	C-4:	C(CGa[4]HH)(H)3	C(Ga[4]O[4]2C)(CH3)(H)2	H(CCHH)	C(CGa[4]HH)(H)3	C(Ga[4]O[4]2C)(CH3)(H)2	H(CCHH)	109.4683	0.041	7	109.4683	0.002	7	109.4683	0.002	7	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C(CGa[6]HH)(H)3	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	H(CCHH)	C(CGa[6]HH)(H)3	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	H(CCHH)	109.4682	0.016	4	109.4682	0.000	4	109.4688	0.001	16	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C(CGa[6]HH)(H)3	C(Ga[6]N[6]2Bi)(CH3)(H)2	H(CCHH)	C(CGa[6]HH)(H)3	C(Ga[6]N[6]2Bi)(CH3)(H)2	H(CCHH)	109.4713	0.012	3	109.4713	0.000	3	109.4688	0.001	16	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C(CGa[6]HH)(H)3	C(Ga[6]N[6]2C)(CH3)(H)2	H(CCHH)	C(CGa[6]HH)(H)3	C(Ga[6]N[6]2C)(CH3)(H)2	H(CCHH)	109.4760	0.027	4	109.4760	0.001	4	109.4688	0.001	16	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:H-1:H-1:	C-4:	C(CGa[6]HH)(H)3	C(Ga[6]N[6]2In)(CH3)(H)2	H(CCHH)	C(CGa[6]HH)(H)3	C(Ga[6]N[6]2In)(CH3)(H)2	H(CCHH)	109.4620	0.034	5	109.4620	0.001	5	109.4688	0.001	16	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(H)3	C(GeC3)(CH3)(H)2	H(CCHH)	C(CGeHH)(H)3	C(GeC3)(CH3)(H)2	H(CCHH)	109.4915	0.045	8	109.4915	0.002	8	109.4728	0.002	27	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(H)3	C(GeCCO)(CH3)(H)2	H(CCHH)	C(CGeHH)(H)3	C(GeCCO)(CH3)(H)2	H(CCHH)	109.4735	0.006	2	109.4735	0.000	2	109.4728	0.002	27	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(H)3	C(GeFeCC)(CH3)(H)2	H(CCHH)	C(CGeHH)(H)3	C(GeFeCC)(CH3)(H)2	H(CCHH)	109.4468	0.033	5	109.4468	0.001	5	109.4728	0.002	27	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(H)3	C(GeGeCC)(CH3)(H)2	H(CCHH)	C(CGeHH)(H)3	C(GeGeCC)(CH3)(H)2	H(CCHH)	109.4711	0.041	12	109.4711	0.002	12	109.4728	0.002	27	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:H-1:H-1:	C-4:	C(CGe[5]HH)(H)3	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	H(CCHH)	C(CGe[5]HH)(H)3	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	H(CCHH)	109.4932	0.031	5	109.4932	0.001	5	109.4932	0.001	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	In-4:C-4:H-1:H-1:	C-4:	C(CInHH)(H)3	C(InCSS)(CH3)(H)2	H(CCHH)	C(CInHH)(H)3	C(InCSS)(CH3)(H)2	H(CCHH)	109.4507	0.067	12	109.4507	0.004	12	109.4529	0.004	15	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	In-4:C-4:H-1:H-1:	C-4:	C(CInHH)(H)3	C(InGa[6]C[5]C)(CH3)(H)2	H(CCHH)	C(CInHH)(H)3	C(InGa[6]C[5]C)(CH3)(H)2	H(CCHH)	109.4617	0.011	3	109.4617	0.000	3	109.4529	0.004	15	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	In[4,5]-4:C-4:H-1:H-1:	C-4:	C(CIn[4,5]HH)(H)3	C(In[4,5]O[4,5]2N[5])(CH3)(H)2	H(CCHH)	C(CIn[4,5]HH)(H)3	C(In[4,5]O[4,5]2N[5])(CH3)(H)2	H(CCHH)	109.4606	0.022	5	109.4606	0.000	5	109.4606	0.000	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	In[4]-4:C-4:H-1:H-1:	C-4:	C(CIn[4]HH)(H)3	C(In[4]As[4]2C)(CH3)(H)2	H(CCHH)	C(CIn[4]HH)(H)3	C(In[4]As[4]2C)(CH3)(H)2	H(CCHH)	109.4608	0.031	5	109.4608	0.001	5	109.4608	0.001	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	In[6]-4:C-4:H-1:H-1:	C-4:	C(CIn[6]HH)(H)3	C(In[6]N[6]2Bi)(CH3)(H)2	H(CCHH)	C(CIn[6]HH)(H)3	C(In[6]N[6]2Bi)(CH3)(H)2	H(CCHH)	109.4937	0.011	3	109.4937	0.000	3	109.4937	0.000	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NAl2C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NAl2C)(CH3)(H)2	H(CCHH)	109.4933	0.020	4	109.4933	0.000	4	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NAlCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NAlCC)(CH3)(H)2	H(CCHH)	109.4799	0.029	17	109.4799	0.001	17	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NBCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NBCC)(CH3)(H)2	H(CCHH)	109.4722	0.039	36	109.4722	0.002	36	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NBHH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NBHH)(CH3)(H)2	H(CCHH)	109.4590	0.018	3	109.4590	0.000	3	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NB[3,3,5,3x6]CH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NB[3,3,5,3x6]CH)(CH3)(H)2	H(CCHH)	109.4982	0.018	5	109.4982	0.000	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NB[3,3,6,6]CH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NB[3,3,6,6]CH)(CH3)(H)2	H(CCHH)	109.4866	0.037	5	109.4866	0.001	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NB[5a]CC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NB[5a]CC)(CH3)(H)2	H(CCHH)	109.8927	1.793	23	109.8927	3.216	23	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	H(CCHH)	109.4986	0.056	7	109.4986	0.003	7	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NBeCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NBeCC)(CH3)(H)2	H(CCHH)	110.3094	1.852	16	110.3094	3.429	16	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCCD)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCCD)(CH3)(H)2	H(CCHH)	109.4862	0.016	5	109.4862	0.000	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCCH)(CH3)(H)2	H(CCHH)	109.4874	1.279	2083	109.4874	1.635	2083	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCCN)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCCN)(CH3)(H)2	H(CCHH)	109.4502	1.824	6	109.4502	3.327	6	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCCO)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCCO)(CH3)(H)2	H(CCHH)	110.5907	1.908	9	110.5907	3.642	9	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCHH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCHH)(CH3)(H)2	H(CCHH)	109.6119	1.463	408	109.6119	2.141	408	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCHO)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCHO)(CH3)(H)2	H(CCHH)	109.4604	0.038	9	109.4604	0.001	9	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCOV)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCOV)(CH3)(H)2	H(CCHH)	109.4703	0.039	12	109.4703	0.002	12	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[4]CC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[4]CC)(CH3)(H)2	H(CCHH)	109.4788	0.046	14	109.4788	0.002	14	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[5]CC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[5]CC)(CH3)(H)2	H(CCHH)	109.4452	0.066	11	109.4452	0.004	11	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]CC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]CC)(CH3)(H)2	H(CCHH)	109.4784	0.040	11	109.4784	0.002	11	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]CH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]CH)(CH3)(H)2	H(CCHH)	109.4800	0.050	6	109.4800	0.003	6	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]CuC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]CuC)(CH3)(H)2	H(CCHH)	109.4572	0.043	9	109.4572	0.002	9	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]CuH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]CuH)(CH3)(H)2	H(CCHH)	109.3014	0.597	8	109.3014	0.356	8	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]HH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]HH)(CH3)(H)2	H(CCHH)	109.4790	0.007	2	109.4790	0.000	2	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]LiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]LiC)(CH3)(H)2	H(CCHH)	109.4748	0.034	17	109.4748	0.001	17	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]ZnC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]ZnC)(CH3)(H)2	H(CCHH)	109.4654	0.024	13	109.4654	0.001	13	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6]ZnH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6]ZnH)(CH3)(H)2	H(CCHH)	109.4500	0.029	7	109.4500	0.001	7	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]CH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]CH)(CH3)(H)2	H(CCHH)	110.2019	2.150	51	110.2019	4.621	51	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]HH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]HH)(CH3)(H)2	H(CCHH)	109.5046	0.043	5	109.5046	0.002	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]Li2)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]Li2)(CH3)(H)2	H(CCHH)	109.4815	0.030	2	109.4815	0.001	2	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]NiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]NiC)(CH3)(H)2	H(CCHH)	109.4602	0.040	5	109.4602	0.002	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]PdC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]PdC)(CH3)(H)2	H(CCHH)	109.5053	0.035	6	109.5053	0.001	6	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NC[6a]TiH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NC[6a]TiH)(CH3)(H)2	H(CCHH)	112.3873	1.262	3	112.3873	1.593	3	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCaCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCaCC)(CH3)(H)2	H(CCHH)	109.4716	0.019	5	109.4716	0.000	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCoCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCoCC)(CH3)(H)2	H(CCHH)	109.4624	0.039	33	109.4624	0.001	33	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCoCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCoCH)(CH3)(H)2	H(CCHH)	109.4745	0.037	2	109.4745	0.001	2	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCoHH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCoHH)(CH3)(H)2	H(CCHH)	109.4860	0.016	2	109.4860	0.000	2	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCoSiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCoSiC)(CH3)(H)2	H(CCHH)	109.4738	0.059	5	109.4738	0.003	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCrCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCrCC)(CH3)(H)2	H(CCHH)	109.4718	0.043	9	109.4718	0.002	9	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCuCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCuCC)(CH3)(H)2	H(CCHH)	109.4707	0.210	94	109.4707	0.044	94	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCuCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCuCH)(CH3)(H)2	H(CCHH)	109.4925	0.032	13	109.4925	0.001	13	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCuHH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCuHH)(CH3)(H)2	H(CCHH)	108.3763	0.431	3	108.3763	0.186	3	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NCuLiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NCuLiC)(CH3)(H)2	H(CCHH)	109.4920	0.027	3	109.4920	0.001	3	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NFeCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NFeCC)(CH3)(H)2	H(CCHH)	109.5003	0.038	9	109.5003	0.001	9	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NFeCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NFeCH)(CH3)(H)2	H(CCHH)	109.4732	0.036	26	109.4732	0.001	26	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NHf2N)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NHf2N)(CH3)(H)2	H(CCHH)	109.4895	0.025	2	109.4895	0.001	2	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NInCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NInCH)(CH3)(H)2	H(CCHH)	109.4907	0.038	6	109.4907	0.001	6	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NIn[4]CH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NIn[4]CH)(CH3)(H)2	H(CCHH)	109.4625	0.017	4	109.4625	0.000	4	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NIrCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NIrCC)(CH3)(H)2	H(CCHH)	109.4591	0.054	46	109.4591	0.003	46	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NLi2C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NLi2C)(CH3)(H)2	H(CCHH)	109.5166	0.052	5	109.5166	0.003	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NLiCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NLiCC)(CH3)(H)2	H(CCHH)	109.8406	1.209	33	109.8406	1.461	33	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMgCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMgCH)(CH3)(H)2	H(CCHH)	109.4737	0.015	3	109.4737	0.000	3	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMgCP)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMgCP)(CH3)(H)2	H(CCHH)	109.4681	0.116	20	109.4681	0.013	20	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMn2C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMn2C)(CH3)(H)2	H(CCHH)	109.4876	0.040	7	109.4876	0.002	7	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMnCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMnCC)(CH3)(H)2	H(CCHH)	109.9379	1.274	43	109.9379	1.623	43	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMoCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMoCC)(CH3)(H)2	H(CCHH)	109.4696	0.026	5	109.4696	0.001	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NMoCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NMoCH)(CH3)(H)2	H(CCHH)	109.5153	4.679	12	109.5153	21.893	12	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NNiCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NNiCC)(CH3)(H)2	H(CCHH)	109.5316	0.791	160	109.5316	0.626	160	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NNiCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NNiCH)(CH3)(H)2	H(CCHH)	109.2705	0.565	18	109.2705	0.319	18	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NNiSiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NNiSiC)(CH3)(H)2	H(CCHH)	109.4620	0.061	4	109.4620	0.004	4	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NPdCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NPdCC)(CH3)(H)2	H(CCHH)	109.4731	0.046	154	109.4731	0.002	154	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NPdCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NPdCH)(CH3)(H)2	H(CCHH)	109.4706	0.052	31	109.4706	0.003	31	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NPtCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NPtCC)(CH3)(H)2	H(CCHH)	109.4940	0.075	32	109.4940	0.006	32	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NPtCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NPtCH)(CH3)(H)2	H(CCHH)	109.4537	0.049	3	109.4537	0.002	3	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NPtHH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NPtHH)(CH3)(H)2	H(CCHH)	109.4730	0.030	4	109.4730	0.001	4	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NReCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NReCC)(CH3)(H)2	H(CCHH)	109.4709	0.085	16	109.4709	0.007	16	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NReCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NReCH)(CH3)(H)2	H(CCHH)	109.4482	0.079	6	109.4482	0.006	6	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NRhCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NRhCC)(CH3)(H)2	H(CCHH)	109.4701	0.040	39	109.4701	0.002	39	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NRhCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NRhCH)(CH3)(H)2	H(CCHH)	109.4597	0.033	7	109.4597	0.001	7	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NRu2C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NRu2C)(CH3)(H)2	H(CCHH)	109.5125	0.018	2	109.5125	0.000	2	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NRuBC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NRuBC)(CH3)(H)2	H(CCHH)	109.4542	0.036	5	109.4542	0.001	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NRuCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NRuCC)(CH3)(H)2	H(CCHH)	109.4724	0.044	53	109.4724	0.002	53	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NRuCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NRuCH)(CH3)(H)2	H(CCHH)	109.4764	0.044	9	109.4764	0.002	9	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSi2C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSi2C)(CH3)(H)2	H(CCHH)	110.0676	1.701	10	110.0676	2.892	10	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSiZnC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSiZnC)(CH3)(H)2	H(CCHH)	109.4657	0.054	6	109.4657	0.003	6	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSi[5]LiC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSi[5]LiC)(CH3)(H)2	H(CCHH)	109.4657	0.046	11	109.4657	0.002	11	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSn2C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSn2C)(CH3)(H)2	H(CCHH)	109.4690	0.040	4	109.4690	0.002	4	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NSnCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NSnCC)(CH3)(H)2	H(CCHH)	109.4730	0.007	3	109.4730	0.000	3	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NTiCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NTiCC)(CH3)(H)2	H(CCHH)	109.4787	0.041	9	109.4787	0.002	9	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NTiCO)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NTiCO)(CH3)(H)2	H(CCHH)	109.4812	0.042	5	109.4812	0.002	5	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NZnCC)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NZnCC)(CH3)(H)2	H(CCHH)	109.7752	1.137	39	109.7752	1.293	39	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NZnCH)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NZnCH)(CH3)(H)2	H(CCHH)	109.4412	0.038	6	109.4412	0.001	6	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NZnCO)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NZnCO)(CH3)(H)2	H(CCHH)	109.4725	0.033	20	109.4725	0.001	20	109.5291	1.378	3864	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(H)3	C(N[3x6]C[6,6]3)(CH3)(H)2	H(CCHH)	C(CN[3x6]HH)(H)3	C(N[3x6]C[6,6]3)(CH3)(H)2	H(CCHH)	109.4821	0.038	32	109.4821	0.001	32	109.4821	0.001	32	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(H)3	C(N[4]B[4]C[4]C)(CH3)(H)2	H(CCHH)	C(CN[4]HH)(H)3	C(N[4]B[4]C[4]C)(CH3)(H)2	H(CCHH)	109.9184	2.077	10	109.9184	4.313	10	109.6269	1.487	28	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(H)3	C(N[4]Ga[4]2C)(CH3)(H)2	H(CCHH)	C(CN[4]HH)(H)3	C(N[4]Ga[4]2C)(CH3)(H)2	H(CCHH)	109.4649	0.029	18	109.4649	0.001	18	109.6269	1.487	28	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[4a,6a]-4:C-4:H-1:H-1:	C-4:	C(CN[4a,6a]HH)(H)3	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	H(CCHH)	C(CN[4a,6a]HH)(H)3	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	H(CCHH)	109.4731	0.030	11	109.4731	0.001	11	109.4731	0.001	11	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5,6]-4:C-4:H-1:H-1:	C-4:	C(CN[5,6]HH)(H)3	C(N[5,6]C[5,6]2C)(CH3)(H)2	H(CCHH)	C(CN[5,6]HH)(H)3	C(N[5,6]C[5,6]2C)(CH3)(H)2	H(CCHH)	109.4720	0.030	9	109.4720	0.001	9	109.4720	0.001	9	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]B[5]C[5]C)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]B[5]C[5]C)(CH3)(H)2	H(CCHH)	109.4758	0.031	6	109.4758	0.001	6	109.4797	0.003	34	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]2C)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]2C)(CH3)(H)2	H(CCHH)	109.4759	0.040	14	109.4759	0.002	14	109.4797	0.003	34	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]2H)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]2H)(CH3)(H)2	H(CCHH)	109.4623	0.111	3	109.4623	0.012	3	109.4797	0.003	34	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]2Mg)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]2Mg)(CH3)(H)2	H(CCHH)	109.4557	0.035	3	109.4557	0.001	3	109.4797	0.003	34	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]2Ni)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]2Ni)(CH3)(H)2	H(CCHH)	109.4490	0.051	3	109.4490	0.003	3	109.4797	0.003	34	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)3	C(N[5]C[5]2Zn)(CH3)(H)2	H(CCHH)	C(CN[5]HH)(H)3	C(N[5]C[5]2Zn)(CH3)(H)2	H(CCHH)	109.5382	0.036	5	109.5382	0.001	5	109.4797	0.003	34	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[5a]-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	H(CCHH)	C(CN[5a]HH)(H)3	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	H(CCHH)	109.4728	0.032	5	109.4728	0.001	5	109.4728	0.001	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(H)3	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CCHH)	C(CN[6,6]HH)(H)3	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	H(CCHH)	109.4823	0.017	3	109.4823	0.000	3	109.4728	0.000	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(H)3	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	H(CCHH)	C(CN[6,6]HH)(H)3	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	H(CCHH)	109.4585	0.012	2	109.4585	0.000	2	109.4728	0.000	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6]C[6]Cu)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6]C[6]Cu)(CH3)(H)2	H(CCHH)	109.4907	0.033	3	109.4907	0.001	3	109.6451	0.796	85	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	H(CCHH)	111.2462	1.964	6	111.2462	3.859	6	109.6451	0.796	85	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6]2C)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6]2C)(CH3)(H)2	H(CCHH)	109.5057	1.223	16	109.5057	1.496	16	109.6451	0.796	85	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(H)3	C(N[6]C[6]2H)(CH3)(H)2	H(CCHH)	C(CN[6]HH)(H)3	C(N[6]C[6]2H)(CH3)(H)2	H(CCHH)	109.5299	0.381	60	109.5299	0.145	60	109.6451	0.796	85	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMn2Sb)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMn2Sb)(CH3)(H)2	H(CCHH)	109.6083	6.958	3	109.6083	48.410	3	109.4132	6.696	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OMn3)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OMn3)(CH3)(H)2	H(CCHH)	109.5073	0.040	3	109.5073	0.002	3	109.4132	6.696	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ONi2Sb)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ONi2Sb)(CH3)(H)2	H(CCHH)	108.9167	2.163	3	108.9167	4.679	3	109.4132	6.696	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(ONi3)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(ONi3)(CH3)(H)2	H(CCHH)	109.5023	0.109	3	109.5023	0.012	3	109.4132	6.696	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CHHO)(H)3	C(OZn3)(CH3)(H)2	H(CCHH)	C(CHHO)(H)3	C(OZn3)(CH3)(H)2	H(CCHH)	109.4840	0.030	5	109.4840	0.001	5	109.4132	6.696	17	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-1:H-1:	C-4:	C(CCHP)(H)3	C(PCCW)(CH3)(C)(H)	H(CCHH)	C(CCHP)(H)3	C(PCCW)(CH3)(C)(H)	H(CCHH)	109.5190	0.057	3	109.5190	0.003	3	109.5190	0.003	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PAgCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PAgCC)(CH3)(H)2	H(CCHH)	109.4708	0.033	17	109.4708	0.001	17	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PAuCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PAuCC)(CH3)(H)2	H(CCHH)	109.4754	0.048	64	109.4754	0.002	64	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PBCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PBCC)(CH3)(H)2	H(CCHH)	109.5656	0.892	82	109.5656	0.796	82	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PBCH)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PBCH)(CH3)(H)2	H(CCHH)	109.4566	0.054	20	109.4566	0.003	20	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PB[3]CC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PB[3]CC)(CH3)(H)2	H(CCHH)	109.4497	0.028	7	109.4497	0.001	7	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PB[5a]CC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PB[5a]CC)(CH3)(H)2	H(CCHH)	111.4131	1.378	7	111.4131	1.898	7	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCCH)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCCH)(CH3)(H)2	H(CCHH)	109.4890	0.026	4	109.4890	0.001	4	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCCN)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCCN)(CH3)(H)2	H(CCHH)	109.4718	0.044	34	109.4718	0.002	34	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCCO)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCCO)(CH3)(H)2	H(CCHH)	109.4734	0.045	122	109.4734	0.002	122	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCCP)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCCP)(CH3)(H)2	H(CCHH)	110.1183	1.629	42	110.1183	2.654	42	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCCS)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCCS)(CH3)(H)2	H(CCHH)	109.4868	0.038	4	109.4868	0.001	4	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCCV)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCCV)(CH3)(H)2	H(CCHH)	109.4831	0.055	12	109.4831	0.003	12	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCCW)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCCW)(CH3)(H)2	H(CCHH)	109.5969	0.807	138	109.5969	0.651	138	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCNW)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCNW)(CH3)(H)2	H(CCHH)	109.4740	0.046	8	109.4740	0.002	8	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]CW)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]CW)(CH3)(H)2	H(CCHH)	109.4699	0.807	68	109.4699	0.652	68	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]FeC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]FeC)(CH3)(H)2	H(CCHH)	109.4668	0.059	13	109.4668	0.004	13	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]MoC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]MoC)(CH3)(H)2	H(CCHH)	109.4723	0.272	61	109.4723	0.074	61	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]PdC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]PdC)(CH3)(H)2	H(CCHH)	109.4442	0.040	8	109.4442	0.002	8	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]RuC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]RuC)(CH3)(H)2	H(CCHH)	109.4873	0.351	58	109.4873	0.123	58	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5a]2C[6a])(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5a]2C[6a])(CH3)(H)2	H(CCHH)	109.4625	0.043	6	109.4625	0.002	6	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5a]3)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5a]3)(CH3)(H)2	H(CCHH)	109.4770	0.030	3	109.4770	0.001	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5a]BC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5a]BC)(CH3)(H)2	H(CCHH)	109.4655	0.037	15	109.4655	0.001	15	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5a]CW)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5a]CW)(CH3)(H)2	H(CCHH)	109.4663	0.042	24	109.4663	0.002	24	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6]2O)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6]2O)(CH3)(H)2	H(CCHH)	109.4097	0.016	3	109.4097	0.000	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2C)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2C)(CH3)(H)2	H(CCHH)	109.4903	0.034	9	109.4903	0.001	9	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Co)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Co)(CH3)(H)2	H(CCHH)	109.4735	0.026	2	109.4735	0.001	2	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Cu)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Cu)(CH3)(H)2	H(CCHH)	109.4833	0.055	13	109.4833	0.003	13	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Ir)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Ir)(CH3)(H)2	H(CCHH)	109.4610	0.026	4	109.4610	0.001	4	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Mo)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Mo)(CH3)(H)2	H(CCHH)	109.4860	0.023	3	109.4860	0.001	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Ni)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Ni)(CH3)(H)2	H(CCHH)	109.4701	0.057	12	109.4701	0.003	12	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2O)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2O)(CH3)(H)2	H(CCHH)	109.4555	0.008	2	109.4555	0.000	2	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2P)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2P)(CH3)(H)2	H(CCHH)	109.4680	0.000	1	109.4680	0.000	1	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Pd)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Pd)(CH3)(H)2	H(CCHH)	109.5267	0.046	3	109.5267	0.002	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Pt)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Pt)(CH3)(H)2	H(CCHH)	109.4520	0.037	6	109.4520	0.001	6	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]2Re)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]2Re)(CH3)(H)2	H(CCHH)	109.4910	0.035	5	109.4910	0.001	5	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]3)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]3)(CH3)(H)2	H(CCHH)	109.6802	0.752	68	109.6802	0.566	68	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]AlC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]AlC)(CH3)(H)2	H(CCHH)	109.4865	0.033	2	109.4865	0.001	2	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]CC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]CC)(CH3)(H)2	H(CCHH)	109.4704	0.035	34	109.4704	0.001	34	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]CO)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]CO)(CH3)(H)2	H(CCHH)	109.4820	0.017	3	109.4820	0.000	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]C[6]O)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]C[6]O)(CH3)(H)2	H(CCHH)	109.4383	0.012	3	109.4383	0.000	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]CuC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]CuC)(CH3)(H)2	H(CCHH)	109.4841	0.051	13	109.4841	0.003	13	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]FeC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]FeC)(CH3)(H)2	H(CCHH)	112.1963	1.961	9	112.1963	3.845	9	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]NiC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]NiC)(CH3)(H)2	H(CCHH)	109.4617	0.023	16	109.4617	0.001	16	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]OO)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]OO)(CH3)(H)2	H(CCHH)	109.4617	0.035	3	109.4617	0.001	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]PS)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]PS)(CH3)(H)2	H(CCHH)	109.4810	0.019	3	109.4810	0.000	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]PdC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]PdC)(CH3)(H)2	H(CCHH)	109.4670	0.040	22	109.4670	0.002	22	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]PtC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]PtC)(CH3)(H)2	H(CCHH)	109.4619	0.039	8	109.4619	0.002	8	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]ReC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]ReC)(CH3)(H)2	H(CCHH)	109.4681	0.068	17	109.4681	0.005	17	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[6a]RhC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[6a]RhC)(CH3)(H)2	H(CCHH)	110.7147	2.027	12	110.7147	4.107	12	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCoCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCoCC)(CH3)(H)2	H(CCHH)	109.4656	0.046	59	109.4656	0.002	59	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCr2C)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCr2C)(CH3)(H)2	H(CCHH)	109.4584	0.038	10	109.4584	0.001	10	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCrCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCrCC)(CH3)(H)2	H(CCHH)	109.4753	0.045	36	109.4753	0.002	36	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCrCN)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCrCN)(CH3)(H)2	H(CCHH)	109.4705	0.005	2	109.4705	0.000	2	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCrCS)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCrCS)(CH3)(H)2	H(CCHH)	109.4608	0.030	5	109.4608	0.001	5	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCuCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCuCC)(CH3)(H)2	H(CCHH)	109.4724	0.083	179	109.4724	0.007	179	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PCuCH)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PCuCH)(CH3)(H)2	H(CCHH)	110.3584	1.491	11	110.3584	2.225	11	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PFeCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PFeCC)(CH3)(H)2	H(CCHH)	109.6784	0.942	469	109.6784	0.888	469	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PFeCN)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PFeCN)(CH3)(H)2	H(CCHH)	109.4747	0.034	9	109.4747	0.001	9	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PGaCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PGaCC)(CH3)(H)2	H(CCHH)	110.6102	1.588	32	110.6102	2.522	32	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PGe[5]CC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PGe[5]CC)(CH3)(H)2	H(CCHH)	109.4748	0.104	6	109.4748	0.011	6	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PHfCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PHfCC)(CH3)(H)2	H(CCHH)	109.4815	0.039	20	109.4815	0.001	20	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PIrCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PIrCC)(CH3)(H)2	H(CCHH)	109.4666	0.050	63	109.4666	0.003	63	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PMnCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PMnCC)(CH3)(H)2	H(CCHH)	109.4864	0.045	16	109.4864	0.002	16	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PMo2C)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PMo2C)(CH3)(H)2	H(CCHH)	109.4900	0.025	6	109.4900	0.001	6	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PMoCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PMoCC)(CH3)(H)2	H(CCHH)	109.4769	0.645	108	109.4769	0.417	108	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PMoSiC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PMoSiC)(CH3)(H)2	H(CCHH)	109.4575	0.036	11	109.4575	0.001	11	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PN[4]CC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PN[4]CC)(CH3)(H)2	H(CCHH)	109.4744	0.024	5	109.4744	0.001	5	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PN[5a]CO)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PN[5a]CO)(CH3)(H)2	H(CCHH)	109.4688	0.045	5	109.4688	0.002	5	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PNb[5]CC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PNb[5]CC)(CH3)(H)2	H(CCHH)	109.4702	0.034	4	109.4702	0.001	4	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PNiCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PNiCC)(CH3)(H)2	H(CCHH)	109.5294	0.382	465	109.5294	0.146	465	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(POsCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(POsCC)(CH3)(H)2	H(CCHH)	109.4696	0.039	21	109.4696	0.001	21	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PPbCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PPbCC)(CH3)(H)2	H(CCHH)	109.4731	0.063	7	109.4731	0.004	7	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PPdCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PPdCC)(CH3)(H)2	H(CCHH)	109.5526	0.785	556	109.5526	0.617	556	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PPdCO)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PPdCO)(CH3)(H)2	H(CCHH)	109.4532	0.615	18	109.4532	0.379	18	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PPtCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PPtCC)(CH3)(H)2	H(CCHH)	109.4870	0.748	1719	109.4870	0.559	1719	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRe2C)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRe2C)(CH3)(H)2	H(CCHH)	110.0520	3.099	14	110.0520	9.605	14	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PReCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PReCC)(CH3)(H)2	H(CCHH)	109.4561	0.805	178	109.4561	0.648	178	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PReCH)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PReCH)(CH3)(H)2	H(CCHH)	110.4897	3.112	9	110.4897	9.687	9	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRhCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRhCC)(CH3)(H)2	H(CCHH)	109.4717	0.318	359	109.4717	0.101	359	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRhCP)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRhCP)(CH3)(H)2	H(CCHH)	109.4540	0.032	20	109.4540	0.001	20	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRhPP)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRhPP)(CH3)(H)2	H(CCHH)	109.5030	0.066	3	109.5030	0.004	3	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRhTaC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRhTaC)(CH3)(H)2	H(CCHH)	109.4676	0.033	7	109.4676	0.001	7	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRu2C)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRu2C)(CH3)(H)2	H(CCHH)	109.4642	0.042	6	109.4642	0.002	6	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRuCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRuCC)(CH3)(H)2	H(CCHH)	109.9166	1.870	125	109.9166	3.498	125	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PSbCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PSbCC)(CH3)(H)2	H(CCHH)	109.4686	0.093	28	109.4686	0.009	28	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PSnCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PSnCC)(CH3)(H)2	H(CCHH)	109.4601	0.053	39	109.4601	0.003	39	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PTiCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PTiCC)(CH3)(H)2	H(CCHH)	109.7859	1.529	33	109.7859	2.337	33	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PZrCC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PZrCC)(CH3)(H)2	H(CCHH)	109.4842	0.057	6	109.4842	0.003	6	109.5482	0.601	5762	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[4,4]-4:C-4:H-1:H-1:	C-4:	C(CP[4,4]HH)(H)3	C(P[4,4]P[3,4,4]2Cl)(CH3)(H)2	H(CCHH)	C(CP[4,4]HH)(H)3	C(P[4,4]P[3,4,4]2Cl)(CH3)(H)2	H(CCHH)	109.4483	0.015	3	109.4483	0.000	3	109.4483	0.000	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(CP[4]HH)(H)3	C(P[4]B[4]2C)(CH3)(H)2	H(CCHH)	C(CP[4]HH)(H)3	C(P[4]B[4]2C)(CH3)(H)2	H(CCHH)	109.4605	0.018	8	109.4605	0.000	8	109.4602	0.001	14	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(CP[4]HH)(H)3	C(P[4]In[4]2C)(CH3)(H)2	H(CCHH)	C(CP[4]HH)(H)3	C(P[4]In[4]2C)(CH3)(H)2	H(CCHH)	109.4598	0.029	6	109.4598	0.001	6	109.4602	0.001	14	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(H)3	C(P[5]C[5]P[5]C)(CH3)(H)2	H(CCHH)	C(CP[5]HH)(H)3	C(P[5]C[5]P[5]C)(CH3)(H)2	H(CCHH)	109.4608	0.028	13	109.4608	0.001	13	109.4354	0.178	54	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(H)3	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	H(CCHH)	C(CP[5]HH)(H)3	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	H(CCHH)	109.5010	0.015	3	109.5010	0.000	3	109.4354	0.178	54	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(H)3	C(P[5]Ge[5]C[5]C)(CH3)(H)2	H(CCHH)	C(CP[5]HH)(H)3	C(P[5]Ge[5]C[5]C)(CH3)(H)2	H(CCHH)	109.4426	0.034	11	109.4426	0.001	11	109.4354	0.178	54	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(H)3	C(P[5]N[5]O[5]O)(CH3)(H)2	H(CCHH)	C(CP[5]HH)(H)3	C(P[5]N[5]O[5]O)(CH3)(H)2	H(CCHH)	109.2997	1.070	9	109.2997	1.146	9	109.4354	0.178	54	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(H)3	C(P[5]Nb[5]C[5]C)(CH3)(H)2	H(CCHH)	C(CP[5]HH)(H)3	C(P[5]Nb[5]C[5]C)(CH3)(H)2	H(CCHH)	109.4682	0.037	10	109.4682	0.001	10	109.4354	0.178	54	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(H)3	C(P[5]Si[5]C[5]C)(CH3)(H)2	H(CCHH)	C(CP[5]HH)(H)3	C(P[5]Si[5]C[5]C)(CH3)(H)2	H(CCHH)	109.4711	0.030	8	109.4711	0.001	8	109.4354	0.178	54	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:	C(CP[6]HH)(H)3	C(P[6]C[6a]N[6]2)(CH3)(H)2	H(CCHH)	C(CP[6]HH)(H)3	C(P[6]C[6a]N[6]2)(CH3)(H)2	H(CCHH)	109.4443	0.058	10	109.4443	0.003	10	109.4443	0.003	10	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:F-1:H-1:	C-4:	C(CFHS)(H)3	C(SC[6a]NO)(CH3)(F)(H)	H(CCHH)	C(CFHS)(H)3	C(SC[6a]NO)(CH3)(F)(H)	H(CCHH)	109.4833	0.016	3	109.4833	0.000	3	109.4833	0.000	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SBeNN)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SBeNN)(CH3)(H)2	H(CCHH)	109.4703	0.039	3	109.4703	0.002	3	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SCOO)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SCOO)(CH3)(H)2	H(CCHH)	109.4811	0.387	13	109.4811	0.150	13	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[5,6]OO)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[5,6]OO)(CH3)(H)2	H(CCHH)	109.4760	0.052	3	109.4760	0.003	3	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[5a]OO)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[5a]OO)(CH3)(H)2	H(CCHH)	109.4389	0.571	7	109.4389	0.326	7	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6]OO)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6]OO)(CH3)(H)2	H(CCHH)	109.4407	0.241	3	109.4407	0.058	3	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6a]OO)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6a]OO)(CH3)(H)2	H(CCHH)	109.4745	0.019	2	109.4745	0.000	2	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SC[6a]RuO)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SC[6a]RuO)(CH3)(H)2	H(CCHH)	109.4445	0.044	8	109.4445	0.002	8	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(H)3	C(SPt2C)(CH3)(H)2	H(CCHH)	C(CHHS)(H)3	C(SPt2C)(CH3)(H)2	H(CCHH)	109.4683	0.047	18	109.4683	0.002	18	109.4635	0.071	57	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	S[6]-4:C-4:H-1:H-1:	C-4:	C(CS[6]HH)(H)3	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	H(CCHH)	C(CS[6]HH)(H)3	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	H(CCHH)	109.4837	0.031	3	109.4837	0.001	3	109.4837	0.001	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC3)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC3)(CH3)(H)2	H(CCHH)	109.6786	0.864	199	109.6786	0.747	199	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCCH)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCCH)(CH3)(H)2	H(CCHH)	109.4570	0.050	21	109.4570	0.003	21	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCCN)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCCN)(CH3)(H)2	H(CCHH)	109.4731	0.042	22	109.4731	0.002	22	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCCO)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCCO)(CH3)(H)2	H(CCHH)	109.6813	0.725	179	109.6813	0.526	179	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCCP)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCCP)(CH3)(H)2	H(CCHH)	109.4648	0.034	14	109.4648	0.001	14	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCCS)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCCS)(CH3)(H)2	H(CCHH)	109.4510	0.000	1	109.4510	0.000	1	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCCW)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCCW)(CH3)(H)2	H(CCHH)	109.4911	0.057	7	109.4911	0.003	7	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCOO)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCOO)(CH3)(H)2	H(CCHH)	109.4903	0.043	15	109.4903	0.002	15	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	H(CCHH)	109.4791	0.037	9	109.4791	0.001	9	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[5]2C)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[5]2C)(CH3)(H)2	H(CCHH)	109.4687	0.044	7	109.4687	0.002	7	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[5]CC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[5]CC)(CH3)(H)2	H(CCHH)	109.4699	0.045	54	109.4699	0.002	54	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[5a]CC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[5a]CC)(CH3)(H)2	H(CCHH)	109.4343	2.563	6	109.4343	6.567	6	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[6]CH)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[6]CH)(CH3)(H)2	H(CCHH)	109.4811	0.037	10	109.4811	0.001	10	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[6a]2O)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[6a]2O)(CH3)(H)2	H(CCHH)	111.4090	1.891	3	111.4090	3.577	3	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[6a]2Rh)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[6a]2Rh)(CH3)(H)2	H(CCHH)	109.4510	0.449	3	109.4510	0.202	3	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[6a]CC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[6a]CC)(CH3)(H)2	H(CCHH)	109.4711	0.022	20	109.4711	0.000	20	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[6a]C[5]C)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[6a]C[5]C)(CH3)(H)2	H(CCHH)	109.4754	0.039	5	109.4754	0.002	5	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCuSi2)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCuSi2)(CH3)(H)2	H(CCHH)	109.4752	0.043	6	109.4752	0.002	6	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiFe2C)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiFe2C)(CH3)(H)2	H(CCHH)	109.4681	0.030	12	109.4681	0.001	12	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiIrCC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiIrCC)(CH3)(H)2	H(CCHH)	109.4748	0.043	49	109.4748	0.002	49	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiN[5]3)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiN[5]3)(CH3)(H)2	H(CCHH)	109.4917	0.022	3	109.4917	0.001	3	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiN[5a]2C)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiN[5a]2C)(CH3)(H)2	H(CCHH)	109.4585	0.032	6	109.4585	0.001	6	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiN[6]BrH)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiN[6]BrH)(CH3)(H)2	H(CCHH)	109.5385	0.019	2	109.5385	0.000	2	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiNiCH)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiNiCH)(CH3)(H)2	H(CCHH)	109.4827	0.042	8	109.4827	0.002	8	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiPt2C)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiPt2C)(CH3)(H)2	H(CCHH)	109.4890	1.096	6	109.4890	1.201	6	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiPtCC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiPtCC)(CH3)(H)2	H(CCHH)	109.4849	0.135	34	109.4849	0.018	34	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiPtRuC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiPtRuC)(CH3)(H)2	H(CCHH)	109.4762	0.044	5	109.4762	0.002	5	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiRhCC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiRhCC)(CH3)(H)2	H(CCHH)	109.4806	0.035	38	109.4806	0.001	38	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiRhCH)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiRhCH)(CH3)(H)2	H(CCHH)	109.4600	0.035	5	109.4600	0.001	5	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiRhCO)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiRhCO)(CH3)(H)2	H(CCHH)	109.4502	0.049	11	109.4502	0.002	11	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiRuCC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiRuCC)(CH3)(H)2	H(CCHH)	109.4679	0.086	27	109.4679	0.007	27	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiRuCH)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiRuCH)(CH3)(H)2	H(CCHH)	109.4494	0.026	5	109.4494	0.001	5	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiSiCN)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiSiCN)(CH3)(H)2	H(CCHH)	109.4800	0.008	2	109.4800	0.000	2	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiSi[6]CC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiSi[6]CC)(CH3)(H)2	H(CCHH)	109.4802	0.034	5	109.4802	0.001	5	109.5782	0.386	799	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:	C(CSi[5]HH)(H)3	C(Si[5]C[5,6a]2C)(CH3)(H)2	H(CCHH)	C(CSi[5]HH)(H)3	C(Si[5]C[5,6a]2C)(CH3)(H)2	H(CCHH)	109.4808	0.026	5	109.4808	0.001	5	109.4808	0.001	5	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:H-1:H-1:	C-4:	C(CSi[6]HH)(H)3	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	H(CCHH)	C(CSi[6]HH)(H)3	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	H(CCHH)	109.4776	0.041	7	109.4776	0.002	7	109.4758	0.001	13	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:H-1:H-1:	C-4:	C(CSi[6]HH)(H)3	C(Si[6]C[6]N[6]C)(CH3)(H)2	H(CCHH)	C(CSi[6]HH)(H)3	C(Si[6]C[6]N[6]C)(CH3)(H)2	H(CCHH)	109.4738	0.035	6	109.4738	0.001	6	109.4758	0.001	13	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	H(CCHI)	109.1596	0.652	18	109.1596	0.425	18	109.1235	0.454	40	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CC[6]CH)(CHHI)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CC[6]CH)(CHHI)(H)2	H(CCHI)	107.7600	1.636	2	107.7600	2.677	2	109.1235	0.454	40	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CHHI)(CHHN)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CHHI)(CHHN)(H)2	H(CCHI)	109.2218	0.320	6	109.2218	0.102	6	109.1235	0.454	40	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CHHI)(CHHW)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CHHI)(CHHW)(H)2	H(CCHI)	109.2750	0.096	2	109.2750	0.009	2	109.1235	0.454	40	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CN[5]HH)(CHHI)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CN[5]HH)(CHHI)(H)2	H(CCHI)	108.8405	0.037	2	108.8405	0.001	2	109.1235	0.454	40	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CN[6]HH)(CHHI)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CN[6]HH)(CHHI)(H)2	H(CCHI)	110.3205	0.005	2	110.3205	0.000	2	109.1235	0.454	40	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CSiHH)(CHHI)(H)2	H(CCHI)	C(CCHH)(H)2(I)	C(CSiHH)(CHHI)(H)2	H(CCHI)	109.0433	0.226	8	109.0433	0.051	8	109.1235	0.454	40	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(I)	C(CHHI)(NH3)(H)2	H(CCHI)	C(CHHN)(H)2(I)	C(CHHI)(NH3)(H)2	H(CCHI)	109.5867	0.102	3	109.5867	0.010	3	109.5867	0.010	3	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)2(I)	C(C[5]C[5]2H)(CHHI)(H)2	H(CCHI)	C(CC[5]HH)(H)2(I)	C(C[5]C[5]2H)(CHHI)(H)2	H(CCHI)	109.0615	0.005	2	109.0615	0.000	2	109.0615	0.000	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:N-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(N)	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(H)2(N)	C(CHHN)(NH3)(H)2	H(CCHN)	109.4085	0.005	2	109.4085	0.000	2	109.4085	0.000	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(O)	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(H)2(O)	C(CCHH)(CHHO)(H)2	H(CCHO)	109.2808	3.342	33	109.2808	11.166	33	109.5073	11.739	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(O)	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(H)2(O)	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	113.3280	1.028	2	113.3280	1.057	2	109.5073	11.739	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(O)	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(H)2(O)	C(CHHN)(CHHO)(H)2	H(CCHO)	108.7815	0.030	2	108.7815	0.001	2	109.5073	11.739	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(O)	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(H)2(O)	C(CHHO)(CH3)(H)2	H(CCHO)	109.7638	4.761	5	109.7638	22.666	5	109.5073	11.739	42	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:O-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(O)	C(CHHO)(NCCH)(H)2	H(CCHO)	C(CHHN)(H)2(O)	C(CHHO)(NCCH)(H)2	H(CCHO)	109.6382	0.468	4	109.6382	0.219	4	109.6382	0.219	4	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(S)	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(H)2(S)	C(CCHH)(CHHS)(H)2	H(CCHS)	105.2936	11.907	2	105.2936	141.773	2	105.2936	141.773	2	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(S)	C(CHHS)(NCCH)(H)2	H(CCHS)	C(CHHN)(H)2(S)	C(CHHS)(NCCH)(H)2	H(CCHS)	109.2780	0.049	2	109.2780	0.002	2	109.2735	0.001	4	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(S)	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(H)2(S)	C(CHHS)(NH3)(H)2	H(CCHS)	109.2690	0.030	2	109.2690	0.001	2	109.2735	0.001	4	109.5408	0.824	58256	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Br)(H)2	C(CBrCC)(CBrHH)(OH)(H)	H(CBrCH)	C(CCHO)(Br)(H)2	C(CBrCC)(CBrHH)(OH)(H)	H(CBrCH)	110.4175	7.745	2	110.4175	59.984	2	109.5475	5.666	12	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Br)(H)2	C(CBrHH)(CCCO)(OH)(H)	H(CBrCH)	C(CCHO)(Br)(H)2	C(CBrHH)(CCCO)(OH)(H)	H(CBrCH)	109.6423	0.065	4	109.6423	0.004	4	109.5475	5.666	12	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Br)(H)2	C(CBrHH)(CCHH)(OC)(H)	H(CBrCH)	C(CCHO)(Br)(H)2	C(CBrHH)(CCHH)(OC)(H)	H(CBrCH)	109.1770	0.008	2	109.1770	0.000	2	109.5475	5.666	12	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Br)(H)2	C(CBrHH)(CHHO)(OC)(H)	H(CBrCH)	C(CCHO)(Br)(H)2	C(CBrHH)(CHHO)(OC)(H)	H(CBrCH)	109.2915	0.019	2	109.2915	0.000	2	109.5475	5.666	12	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Br)(H)2	C(CBrHH)(CSeHH)(OP)(H)	H(CBrCH)	C(CCHO)(Br)(H)2	C(CBrHH)(CSeHH)(OP)(H)	H(CBrCH)	109.1145	0.033	2	109.1145	0.001	2	109.5475	5.666	12	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)2(H)	C(CC[6a]HH)(CCl2H)(OH)(H)	H(CCl2C)	C(CCHO)(Cl)2(H)	C(CC[6a]HH)(CCl2H)(OH)(H)	H(CCl2C)	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(Cl)(H)2	C(CClHH)(CCHH)(NC)(H)	H(CClCH)	C(CCHN)(Cl)(H)2	C(CClHH)(CCHH)(NC)(H)	H(CClCH)	112.9565	1.281	4	112.9565	1.640	4	112.9565	1.640	4	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CC[5]HH)(CClHH)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CC[5]HH)(CClHH)(OH)(H)	H(CClCH)	110.4970	0.096	2	110.4970	0.009	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CC[6a]HO)(CClHH)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CC[6a]HO)(CClHH)(OH)(H)	H(CClCH)	109.6287	0.274	4	109.6287	0.075	4	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CCHH)(OC)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CCHH)(OC)(H)	H(CClCH)	108.9600	0.006	2	108.9600	0.000	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CCHO)(OC)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CCHO)(OC)(H)	H(CClCH)	109.4630	0.034	2	109.4630	0.001	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CH3)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CH3)(OH)(H)	H(CClCH)	109.1200	0.020	2	109.1200	0.000	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OC)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OC)(H)	H(CClCH)	109.0310	0.020	2	109.0310	0.000	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OH)(H)	H(CClCH)	109.8653	0.567	4	109.8653	0.321	4	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CHHS)(OC)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CHHS)(OC)(H)	H(CClCH)	109.0210	0.014	2	109.0210	0.000	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CHHS)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CHHS)(OH)(H)	H(CClCH)	109.4715	0.035	2	109.4715	0.001	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CN[5]HH)(CClHH)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CN[5]HH)(CClHH)(OH)(H)	H(CClCH)	109.1715	0.015	2	109.1715	0.000	2	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CN[5a]HH)(CClHH)(OC)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CN[5a]HH)(CClHH)(OC)(H)	H(CClCH)	109.2470	0.155	4	109.2470	0.024	4	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	H(CClCH)	109.6833	1.986	26	109.6833	3.944	26	109.5593	1.988	54	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(Cl)(H)2	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	H(CClCH)	C(CC[5]HO)(Cl)(H)2	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	H(CClCH)	109.3690	0.018	2	109.3690	0.000	2	109.3690	0.000	2	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:Cl-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(Cl)(H)2	C(C[6]C[6]2C)(CClHH)(OH)(H)	H(CClCH)	C(CC[6]HO)(Cl)(H)2	C(C[6]C[6]2C)(CClHH)(OH)(H)	H(CClCH)	110.0690	2.244	2	110.0690	5.037	2	110.0690	5.037	2	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(F)2(H)	C(CFFH)(CHHS)(OH)(H)	H(CCFF)	C(CCHO)(F)2(H)	C(CFFH)(CHHS)(OH)(H)	H(CCFF)	110.6615	0.161	2	110.6615	0.026	2	110.6615	0.026	2	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(F)(H)2	C(CCHO)(CFHH)(OH)(H)	H(CCFH)	C(CCHO)(F)(H)2	C(CCHO)(CFHH)(OH)(H)	H(CCFH)	110.1460	0.392	2	110.1460	0.153	2	109.9534	0.480	15	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(F)(H)2	C(CFHH)(CHHN)(OC)(H)	H(CCFH)	C(CCHO)(F)(H)2	C(CFHH)(CHHN)(OC)(H)	H(CCFH)	111.2260	1.428	2	111.2260	2.040	2	109.9534	0.480	15	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(F)(H)2	C(CFHH)(CHHS)(OH)(H)	H(CCFH)	C(CCHO)(F)(H)2	C(CFHH)(CHHS)(OH)(H)	H(CCFH)	109.7610	0.109	4	109.7610	0.012	4	109.9534	0.480	15	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(F)(H)2	C(CFHH)2(OC)(H)	H(CCFH)	C(CCHO)(F)(H)2	C(CFHH)2(OC)(H)	H(CCFH)	109.6447	0.247	7	109.6447	0.061	7	109.9534	0.480	15	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:Cl-1:	C-4:	C(CClCC)(H)3	C(CCHN)(CH3)(CC)(Cl)	H(CCHH)	C(CClCC)(H)3	C(CCHN)(CH3)(CC)(Cl)	H(CCHH)	109.4790	0.033	3	109.4790	0.001	3	109.4790	0.001	3	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CCCO)(CH3)(CC)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCO)(CH3)(CC)(H)	H(CCHH)	109.4683	0.025	3	109.4683	0.001	3	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CC)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CC)(H)	H(CCHH)	109.4807	0.010	6	109.4807	0.000	6	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)(CC)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)(CC)(H)	H(CCHH)	109.4627	0.015	6	109.4627	0.000	6	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CC)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CC)(H)	H(CCHH)	109.4670	0.041	3	109.4670	0.002	3	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]3)(CH3)(CC)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]3)(CH3)(CC)(H)	H(CCHH)	109.4700	0.010	2	109.4700	0.000	2	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CC)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CC)(H)	H(CCHH)	109.4550	0.041	12	109.4550	0.002	12	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CN)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CN)(H)	H(CCHH)	110.2880	1.624	24	110.2880	2.637	24	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(H)3	C(CHHP)(CH3)(CN)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHP)(CH3)(CN)(H)	H(CCHH)	109.4760	0.042	3	109.4760	0.002	3	109.8001	1.212	59	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:O-1:	C-4:	C(CCCO)(H)3	C(CH3)2(CC)(O)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CC)(O)	H(CCHH)	109.4486	0.071	9	109.4486	0.005	9	109.4486	0.005	9	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CC3)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC3)(CH3)(NC)(H)	H(CCHH)	109.4693	0.042	15	109.4693	0.002	15	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CC3)(CH3)(NP)(H)	H(CCHH)	C(CCHN)(H)3	C(CC3)(CH3)(NP)(H)	H(CCHH)	109.4290	0.011	2	109.4290	0.000	2	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CCCH)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CCCH)(CH3)(NC)(H)	H(CCHH)	109.4572	0.044	6	109.4572	0.002	6	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NC)(H)	H(CCHH)	109.4850	0.008	2	109.4850	0.000	2	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]ClH)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]ClH)(CH3)(NC)(H)	H(CCHH)	109.8982	2.676	6	109.8982	7.160	6	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NC)(H)	H(CCHH)	109.4676	0.028	8	109.4676	0.001	8	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NC)(H)	H(CCHH)	109.4840	0.014	6	109.4840	0.000	6	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NC)(H)	H(CCHH)	109.4874	0.417	363	109.4874	0.174	363	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NMo)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NMo)(H)	H(CCHH)	109.5222	0.063	16	109.5222	0.004	16	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NN)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NN)(H)	H(CCHH)	109.4748	0.017	4	109.4748	0.000	4	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NP)(H)	H(CCHH)	109.4650	0.123	53	109.4650	0.015	53	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NPt)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NPt)(H)	H(CCHH)	109.4577	0.073	6	109.4577	0.005	6	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NW)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NW)(H)	H(CCHH)	109.4774	0.012	5	109.4774	0.000	5	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(CH3)(NC)(H)	H(CCHH)	109.4760	0.027	11	109.4760	0.001	11	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)3	C(CHHO)(CH3)(NC)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHO)(CH3)(NC)(H)	H(CCHH)	109.8685	1.131	6	109.8685	1.280	6	109.4932	0.213	509	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:C-1:	C-4:	C(CCCO)(H)3	C(CH3)2(OC)(C)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(OC)(C)	H(CCHH)	109.4678	0.039	6	109.4678	0.002	6	109.4678	0.002	6	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC3)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC3)(CH3)(OC)(H)	H(CCHH)	109.4890	0.006	2	109.4890	0.000	2	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCCH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CCCH)(CH3)(OC)(H)	H(CCHH)	109.5842	0.435	18	109.5842	0.189	18	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	H(CCHH)	110.0084	1.231	36	110.0084	1.515	36	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCCH)(CH3)(OS)(H)	H(CCHH)	C(CCHO)(H)3	C(CCCH)(CH3)(OS)(H)	H(CCHH)	109.4970	0.025	5	109.4970	0.001	5	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCCN)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CCCN)(CH3)(OH)(H)	H(CCHH)	109.4840	0.000	1	109.4840	0.000	1	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCCO)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CCCO)(CH3)(OH)(H)	H(CCHH)	109.4923	0.046	3	109.4923	0.002	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	H(CCHH)	109.4522	0.769	227	109.4522	0.591	227	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	H(CCHH)	109.7233	1.051	117	109.7233	1.104	117	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHH)(CH3)(ON)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHH)(CH3)(ON)(H)	H(CCHH)	109.5038	0.079	5	109.5038	0.006	5	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHH)(CH3)(OS)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHH)(CH3)(OS)(H)	H(CCHH)	109.4726	0.030	7	109.4726	0.001	7	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHH)(CH3)(OSi)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHH)(CH3)(OSi)(H)	H(CCHH)	109.4592	0.061	6	109.4592	0.004	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHN)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHN)(CH3)(OC)(H)	H(CCHH)	109.4740	0.506	22	109.4740	0.256	22	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	H(CCHH)	109.5318	0.769	122	109.5318	0.591	122	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHN)(CH3)(OP)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHN)(CH3)(OP)(H)	H(CCHH)	109.4975	0.050	8	109.4975	0.003	8	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHN)(CH3)(OS)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHN)(CH3)(OS)(H)	H(CCHH)	109.4568	0.058	6	109.4568	0.003	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	H(CCHH)	109.4847	0.036	32	109.4847	0.001	32	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	H(CCHH)	109.6988	0.929	36	109.6988	0.863	36	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHO)(CH3)(OP)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHO)(CH3)(OP)(H)	H(CCHH)	109.5030	0.020	5	109.5030	0.000	5	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCHO)(CH3)(OSi)(H)	H(CCHH)	C(CCHO)(H)3	C(CCHO)(CH3)(OSi)(H)	H(CCHH)	109.4659	0.059	9	109.4659	0.004	9	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CCNS)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CCNS)(CH3)(OH)(H)	H(CCHH)	109.4470	0.053	3	109.4470	0.003	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[3]HH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[3]HH)(CH3)(OC)(H)	H(CCHH)	109.4535	0.019	6	109.4535	0.000	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[4]CC)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[4]CC)(CH3)(OC)(H)	H(CCHH)	110.9963	1.685	3	110.9963	2.841	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[4]HH)(CH3)(ON)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[4]HH)(CH3)(ON)(H)	H(CCHH)	109.4650	0.006	2	109.4650	0.000	2	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[4]HO)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[4]HO)(CH3)(OC)(H)	H(CCHH)	109.4680	0.000	1	109.4680	0.000	1	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[5]BrH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[5]BrH)(CH3)(OC)(H)	H(CCHH)	109.4847	0.028	3	109.4847	0.001	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[5]HH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[5]HH)(CH3)(OC)(H)	H(CCHH)	109.4694	0.042	9	109.4694	0.002	9	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[5]HH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[5]HH)(CH3)(OH)(H)	H(CCHH)	109.4827	0.033	8	109.4827	0.001	8	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[5]HO)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[5]HO)(CH3)(OC)(H)	H(CCHH)	109.4837	0.135	11	109.4837	0.018	11	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[5a]HH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[5a]HH)(CH3)(OC)(H)	H(CCHH)	109.4890	0.073	3	109.4890	0.005	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[5a]HH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[5a]HH)(CH3)(OH)(H)	H(CCHH)	108.8861	1.503	22	108.8861	2.260	22	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6]CH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6]CH)(CH3)(OH)(H)	H(CCHH)	109.4857	0.020	6	109.4857	0.000	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6]HH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6]HH)(CH3)(OC)(H)	H(CCHH)	109.4643	0.060	3	109.4643	0.004	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6]HH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6]HH)(CH3)(OH)(H)	H(CCHH)	109.4672	0.025	5	109.4672	0.001	5	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6]HO)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6]HO)(CH3)(OC)(H)	H(CCHH)	109.4285	0.026	2	109.4285	0.001	2	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]2H)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]2H)(CH3)(OC)(H)	H(CCHH)	109.4536	0.036	8	109.4536	0.001	8	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]CH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]CH)(CH3)(OH)(H)	H(CCHH)	109.4773	0.020	3	109.4773	0.000	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]CO)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]CO)(CH3)(OH)(H)	H(CCHH)	109.4633	0.029	8	109.4633	0.001	8	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]C[5]H)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]C[5]H)(CH3)(OC)(H)	H(CCHH)	110.8080	1.574	3	110.8080	2.476	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]C[6]H)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]C[6]H)(CH3)(OH)(H)	H(CCHH)	109.4857	0.044	3	109.4857	0.002	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]HH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]HH)(CH3)(OC)(H)	H(CCHH)	109.4746	0.034	13	109.4746	0.001	13	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]HH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]HH)(CH3)(OH)(H)	H(CCHH)	109.6154	1.005	22	109.6154	1.010	22	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]HN)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]HN)(CH3)(OC)(H)	H(CCHH)	110.5764	1.576	8	110.5764	2.483	8	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]HO)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]HO)(CH3)(OC)(H)	H(CCHH)	109.4630	0.026	5	109.4630	0.001	5	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]HO)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]HO)(CH3)(OH)(H)	H(CCHH)	109.4627	0.028	3	109.4627	0.001	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CC[6a]N[5]H)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CC[6a]N[5]H)(CH3)(OH)(H)	H(CCHH)	109.4680	0.014	3	109.4680	0.000	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CClCH)(CH3)(OS)(H)	H(CCHH)	C(CCHO)(H)3	C(CClCH)(CH3)(OS)(H)	H(CCHH)	109.5341	1.444	9	109.5341	2.084	9	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CClHH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CClHH)(CH3)(OH)(H)	H(CCHH)	109.4905	0.018	2	109.4905	0.000	2	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OAl)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OAl)(H)	H(CCHH)	109.4703	0.045	94	109.4703	0.002	94	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OB)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OB)(H)	H(CCHH)	109.4816	0.038	11	109.4816	0.001	11	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OC)(H)	H(CCHH)	109.5028	0.714	1551	109.5028	0.510	1551	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OGe)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OGe)(H)	H(CCHH)	110.3960	1.743	6	110.3960	3.039	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OH)(H)	H(CCHH)	109.4757	0.630	608	109.4757	0.397	608	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OMo)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OMo)(H)	H(CCHH)	109.5635	0.882	64	109.5635	0.777	64	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(ON)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(ON)(H)	H(CCHH)	110.0708	1.264	10	110.0708	1.597	10	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(ONb)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(ONb)(H)	H(CCHH)	109.2913	0.566	17	109.2913	0.320	17	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OP)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OP)(H)	H(CCHH)	109.4570	0.638	1219	109.4570	0.407	1219	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OPb)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OPb)(H)	H(CCHH)	109.4398	0.034	6	109.4398	0.001	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(ORe)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(ORe)(H)	H(CCHH)	109.4724	0.049	17	109.4724	0.002	17	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OSi)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OSi)(H)	H(CCHH)	109.4398	2.165	19	109.4398	4.687	19	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OSn)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OSn)(H)	H(CCHH)	109.4679	0.037	15	109.4679	0.001	15	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OTa)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OTa)(H)	H(CCHH)	111.6510	2.676	6	111.6510	7.160	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OTi)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OTi)(H)	H(CCHH)	109.4517	1.609	108	109.4517	2.590	108	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(CH3)(OC)(H)	H(CCHH)	109.4720	0.000	1	109.4720	0.000	1	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(CH3)(OGa)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(CH3)(OGa)(H)	H(CCHH)	109.4747	0.024	7	109.4747	0.001	7	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	H(CCHH)	109.6726	1.128	34	109.6726	1.273	34	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(CH3)(OMo)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(CH3)(OMo)(H)	H(CCHH)	109.4818	0.032	6	109.4818	0.001	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(CH3)(OP)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(CH3)(OP)(H)	H(CCHH)	109.4766	0.043	21	109.4766	0.002	21	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHN)(CH3)(OSi)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHN)(CH3)(OSi)(H)	H(CCHH)	109.4677	0.039	12	109.4677	0.001	12	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHO)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHO)(CH3)(OC)(H)	H(CCHH)	109.4647	0.035	13	109.4647	0.001	13	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHO)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHO)(CH3)(OH)(H)	H(CCHH)	109.4742	0.023	4	109.4742	0.001	4	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHS)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHS)(CH3)(OC)(H)	H(CCHH)	109.5998	1.842	9	109.5998	3.393	9	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHS)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHS)(CH3)(OH)(H)	H(CCHH)	109.4775	0.047	29	109.4775	0.002	29	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CHHS)(CH3)(ORe)(H)	H(CCHH)	C(CCHO)(H)3	C(CHHS)(CH3)(ORe)(H)	H(CCHH)	109.3920	0.203	6	109.3920	0.041	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[5]CH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5]CH)(CH3)(OC)(H)	H(CCHH)	109.4433	0.026	3	109.4433	0.001	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[5]CH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5]CH)(CH3)(OH)(H)	H(CCHH)	109.4647	0.028	4	109.4647	0.001	4	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[5]HH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5]HH)(CH3)(OH)(H)	H(CCHH)	109.4935	0.009	2	109.4935	0.000	2	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OC)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OC)(H)	H(CCHH)	109.4672	0.032	12	109.4672	0.001	12	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OH)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OH)(H)	H(CCHH)	109.4750	0.032	16	109.4750	0.001	16	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CN[6]HH)(CH3)(OB)(H)	H(CCHH)	C(CCHO)(H)3	C(CN[6]HH)(CH3)(OB)(H)	H(CCHH)	109.5047	0.015	3	109.5047	0.000	3	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)3	C(CSeHH)(CH3)(OP)(H)	H(CCHH)	C(CCHO)(H)3	C(CSeHH)(CH3)(OP)(H)	H(CCHH)	109.4625	0.540	6	109.4625	0.291	6	109.5001	0.566	4783	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CCHH)(CH3)(SC)(H)	H(CCHH)	C(CCHS)(H)3	C(CCHH)(CH3)(SC)(H)	H(CCHH)	109.4685	0.055	13	109.4685	0.003	13	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CCHH)(CH3)(SRe)(H)	H(CCHH)	C(CCHS)(H)3	C(CCHH)(CH3)(SRe)(H)	H(CCHH)	109.4520	0.062	2	109.4520	0.004	2	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CCHH)(CH3)(SZn)(H)	H(CCHH)	C(CCHS)(H)3	C(CCHH)(CH3)(SZn)(H)	H(CCHH)	109.4573	0.034	3	109.4573	0.001	3	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CCHN)(CH3)(SS)(H)	H(CCHH)	C(CCHS)(H)3	C(CCHN)(CH3)(SS)(H)	H(CCHH)	109.4810	0.037	10	109.4810	0.001	10	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SB)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SB)(H)	H(CCHH)	109.4660	0.017	3	109.4660	0.000	3	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SC)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SC)(H)	H(CCHH)	109.4656	0.039	29	109.4656	0.002	29	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SFe)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SFe)(H)	H(CCHH)	109.4622	0.778	12	109.4622	0.605	12	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SIr)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SIr)(H)	H(CCHH)	109.4988	0.436	12	109.4988	0.190	12	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SMo)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SMo)(H)	H(CCHH)	109.4695	0.040	11	109.4695	0.002	11	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SP)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SP)(H)	H(CCHH)	109.4616	0.032	5	109.4616	0.001	5	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SW)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SW)(H)	H(CCHH)	109.5510	0.062	6	109.5510	0.004	6	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(H)3	C(CHHN)(CH3)(SNi)(H)	H(CCHH)	C(CCHS)(H)3	C(CHHN)(CH3)(SNi)(H)	H(CCHH)	109.4620	0.024	8	109.4620	0.001	8	109.4744	0.079	114	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:S-1:	C-4:	C(CCSS)(H)3	C(CCCF)(CH3)(SC)(S)	H(CCHH)	C(CCSS)(H)3	C(CCCF)(CH3)(SC)(S)	H(CCHH)	109.4640	0.024	2	109.4640	0.001	2	109.4640	0.001	2	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-2:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(NC3)(CC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(NC3)(CC)(H)	H(CCHH)	109.4786	0.039	5	109.4786	0.002	5	109.4786	0.002	5	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(CHOP)(H)3	C(CH3)(PO3)(OC)(H)	H(CCHH)	C(CHOP)(H)3	C(CH3)(PO3)(OC)(H)	H(CCHH)	109.4704	0.018	5	109.4704	0.000	5	109.4704	0.000	5	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:N-2:H-1:	C-4:	C(CC[3]HN)(H)3	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	H(CCHH)	C(CC[3]HN)(H)3	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	H(CCHH)	109.4385	0.030	2	109.4385	0.001	2	109.4385	0.001	2	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(H)3	C(C[3]C[3]2H)(CH3)(OC)(H)	H(CCHH)	C(CC[3]HO)(H)3	C(C[3]C[3]2H)(CH3)(OC)(H)	H(CCHH)	109.7981	0.815	10	109.7981	0.664	10	109.6106	0.274	25	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(H)3	C(C[3]C[3]2H)(CH3)(OH)(H)	H(CCHH)	C(CC[3]HO)(H)3	C(C[3]C[3]2H)(CH3)(OH)(H)	H(CCHH)	109.4505	0.013	2	109.4505	0.000	2	109.6106	0.274	25	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(H)3	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	H(CCHH)	C(CC[3]HO)(H)3	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	H(CCHH)	109.5133	0.011	3	109.5133	0.000	3	109.6106	0.274	25	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(H)3	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	H(CCHH)	C(CC[3]HO)(H)3	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	H(CCHH)	109.4930	0.015	3	109.4930	0.000	3	109.6106	0.274	25	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(H)3	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	H(CCHH)	C(CC[3]HO)(H)3	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	H(CCHH)	109.4900	0.054	5	109.4900	0.003	5	109.6106	0.274	25	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(H)3	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	H(CCHH)	C(CC[3]HO)(H)3	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	H(CCHH)	109.4570	0.021	2	109.4570	0.000	2	109.6106	0.274	25	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:N-2:H-1:	C-4:	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	H(CCHH)	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	H(CCHH)	109.4905	0.145	13	109.4905	0.021	13	109.4905	0.021	13	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:O-2:H-1:	C-4:	C(CC[3x6]HO)(H)3	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	H(CCHH)	C(CC[3x6]HO)(H)3	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	H(CCHH)	109.4657	0.041	6	109.4657	0.002	6	109.4686	0.001	22	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:O-2:H-1:	C-4:	C(CC[3x6]HO)(H)3	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	H(CCHH)	C(CC[3x6]HO)(H)3	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	H(CCHH)	109.4698	0.033	16	109.4698	0.001	16	109.4686	0.001	22	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:N-2:H-1:	C-4:	C(CC[4]HN)(H)3	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	H(CCHH)	C(CC[4]HN)(H)3	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	H(CCHH)	106.4823	2.885	3	106.4823	8.325	3	106.4823	8.325	3	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	H(CCHH)	109.3617	0.426	24	109.3617	0.182	24	109.2644	0.641	42	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	H(CCHH)	109.4900	0.086	2	109.4900	0.007	2	109.2644	0.641	42	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4]2H)(CH3)(OH)(H)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4]2H)(CH3)(OH)(H)	H(CCHH)	109.0361	1.270	14	109.0361	1.612	14	109.2644	0.641	42	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(H)3	C(C[4]C[4]2H)(CH3)(OSi)(H)	H(CCHH)	C(CC[4]HO)(H)3	C(C[4]C[4]2H)(CH3)(OSi)(H)	H(CCHH)	109.4700	0.020	2	109.4700	0.000	2	109.2644	0.641	42	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,5,6]HO)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	H(CCHH)	C(CC[5,5,6]HO)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	H(CCHH)	110.3480	1.871	5	110.3480	3.502	5	110.3480	3.502	5	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6]HO)(H)3	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	H(CCHH)	C(CC[5,6]HO)(H)3	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	H(CCHH)	112.1230	7.753	3	112.1230	60.105	3	110.2644	15.002	10	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6]HO)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	H(CCHH)	C(CC[5,6]HO)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	H(CCHH)	109.4679	0.012	7	109.4679	0.000	7	110.2644	15.002	10	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-2:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(CC)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(CC)(H)	H(CCHH)	109.4539	0.028	8	109.4539	0.001	8	109.4535	0.001	11	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-2:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(CN)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(CN)(H)	H(CCHH)	109.4527	0.025	3	109.4527	0.001	3	109.4535	0.001	11	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NS)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NS)(H)	H(CCHH)	109.4890	0.004	2	109.4890	0.000	2	109.4890	0.000	2	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	H(CCHH)	109.4373	0.044	3	109.4373	0.002	3	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	H(CCHH)	109.4757	0.034	3	109.4757	0.001	3	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	H(CCHH)	109.4190	0.010	2	109.4190	0.000	2	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	H(CCHH)	109.4730	0.000	1	109.4730	0.000	1	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	H(CCHH)	109.4622	0.017	6	109.4622	0.000	6	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	H(CCHH)	109.4647	0.017	3	109.4647	0.000	3	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	H(CCHH)	109.4792	0.050	21	109.4792	0.002	21	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	H(CCHH)	109.4671	0.045	13	109.4671	0.002	13	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	H(CCHH)	109.4660	0.028	3	109.4660	0.001	3	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	H(CCHH)	109.4450	0.034	2	109.4450	0.001	2	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	H(CCHH)	109.4710	0.024	3	109.4710	0.001	3	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	H(CCHH)	109.4522	0.019	12	109.4522	0.000	12	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]2Fe)(CH3)(OC)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]2Fe)(CH3)(OC)(H)	H(CCHH)	109.6100	1.336	26	109.6100	1.786	26	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]2Fe)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]2Fe)(CH3)(OH)(H)	H(CCHH)	109.9238	1.842	26	109.9238	3.394	26	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]2H)(CH3)(OC)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]2H)(CH3)(OC)(H)	H(CCHH)	109.4678	0.032	15	109.4678	0.001	15	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]2H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]2H)(CH3)(OH)(H)	H(CCHH)	109.4848	0.030	16	109.4848	0.001	16	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]2H)(CH3)(OSi)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]2H)(CH3)(OSi)(H)	H(CCHH)	109.4825	0.056	2	109.4825	0.003	2	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]2O)(CH3)(OC)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]2O)(CH3)(OC)(H)	H(CCHH)	109.4705	0.023	2	109.4705	0.001	2	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	H(CCHH)	109.4812	0.041	16	109.4812	0.002	16	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	H(CCHH)	109.4757	0.015	3	109.4757	0.000	3	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	H(CCHH)	109.2703	1.967	15	109.2703	3.868	15	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)3	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	H(CCHH)	C(CC[5]HO)(H)3	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	H(CCHH)	109.4507	0.045	3	109.4507	0.002	3	109.5335	0.972	196	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:S-2:H-1:	C-4:	C(CC[5]HS)(H)3	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	H(CCHH)	C(CC[5]HS)(H)3	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	H(CCHH)	109.5113	0.064	3	109.5113	0.004	3	109.5113	0.004	3	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C-4:	C(CC[6,6]HO)(H)3	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	H(CCHH)	C(CC[6,6]HO)(H)3	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	H(CCHH)	109.4622	0.038	13	109.4622	0.001	13	109.4684	0.002	16	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C-4:	C(CC[6,6]HO)(H)3	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	H(CCHH)	C(CC[6,6]HO)(H)3	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	H(CCHH)	109.4957	0.049	3	109.4957	0.002	3	109.4684	0.002	16	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-2:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	H(CCHH)	109.4618	0.026	5	109.4618	0.001	5	109.4618	0.001	5	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-2:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NC)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NC)(H)	H(CCHH)	109.4744	0.047	5	109.4744	0.002	5	109.4710	0.002	7	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-2:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	H(CCHH)	109.4625	0.025	2	109.4625	0.001	2	109.4710	0.002	7	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	H(CCHH)	109.4477	0.016	3	109.4477	0.000	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	H(CCHH)	109.4700	0.000	1	109.4700	0.000	1	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	H(CCHH)	109.4586	0.041	8	109.4586	0.002	8	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	H(CCHH)	109.4627	0.023	3	109.4627	0.001	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2C)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2C)(CH3)(OH)(H)	H(CCHH)	109.4745	0.024	13	109.4745	0.001	13	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2Cr)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2Cr)(CH3)(OC)(H)	H(CCHH)	109.4638	0.025	13	109.4638	0.001	13	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2Cr)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2Cr)(CH3)(OH)(H)	H(CCHH)	109.6893	0.900	3	109.6893	0.810	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2H)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2H)(CH3)(OH)(H)	H(CCHH)	109.4899	0.055	7	109.4899	0.003	7	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2H)(CH3)(OSi)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2H)(CH3)(OSi)(H)	H(CCHH)	109.4497	0.045	3	109.4497	0.002	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2O)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2O)(CH3)(OC)(H)	H(CCHH)	109.4817	0.113	3	109.4817	0.013	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2Ru)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2Ru)(CH3)(OC)(H)	H(CCHH)	109.4520	0.025	4	109.4520	0.001	4	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]2Ru)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]2Ru)(CH3)(OH)(H)	H(CCHH)	109.4588	0.049	12	109.4588	0.002	12	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	H(CCHH)	108.9967	1.548	3	108.9967	2.397	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	H(CCHH)	109.9120	3.396	3	109.9120	11.530	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	H(CCHH)	109.4835	0.040	6	109.4835	0.002	6	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	H(CCHH)	109.4380	0.018	3	109.4380	0.000	3	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(H)3	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	H(CCHH)	C(CC[6]HO)(H)3	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	H(CCHH)	109.4915	0.025	2	109.4915	0.001	2	109.4733	0.348	90	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-2:H-1:	C-4:	C(CCHP)(H)3	C(PIrCC)(CH3)(CH)(H)	H(CCHH)	C(CCHP)(H)3	C(PIrCC)(CH3)(CH)(H)	H(CCHH)	109.3757	0.053	3	109.3757	0.003	3	109.3757	0.003	3	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:O-2:H-1:	C-4:	C(CHOP)(H)3	C(PCCH)(CH3)(OC)(H)	H(CCHH)	C(CHOP)(H)3	C(PCCH)(CH3)(OC)(H)	H(CCHH)	109.4780	0.024	3	109.4780	0.001	3	109.4780	0.001	3	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-2:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]OO)(CH3)(CC)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]OO)(CH3)(CC)(H)	H(CCHH)	109.4413	0.013	3	109.4413	0.000	3	109.4602	0.001	6	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-2:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]OO)(CH3)(CN)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]OO)(CH3)(CN)(H)	H(CCHH)	109.4790	0.020	3	109.4790	0.000	3	109.4602	0.001	6	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:I-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)2(I)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	H(CCHI)	C(CC[5]HO)(H)2(I)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	H(CCHI)	108.9838	0.717	4	108.9838	0.514	4	108.9838	0.514	4	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(H)2(O)	C(CHHO)(CH3)(NC)(H)	H(CCHO)	C(CCHN)(H)2(O)	C(CHHO)(CH3)(NC)(H)	H(CCHO)	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)2(O)	C(CHHO)2(OC)(H)	H(CCHO)	C(CCHO)(H)2(O)	C(CHHO)2(OC)(H)	H(CCHO)	109.6155	5.882	2	109.6155	34.603	2	110.2820	33.202	4	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(H)2(O)	C(CHHO)2(OH)(H)	H(CCHO)	C(CCHO)(H)2(O)	C(CHHO)2(OH)(H)	H(CCHO)	110.9485	7.951	2	110.9485	63.225	2	110.2820	33.202	4	109.5057	0.611	6060	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(F)(H)2	C(CFHH)(CHHO)(OH)2	H(CCFH)	C(CCOO)(F)(H)2	C(CFHH)(CHHO)(OH)2	H(CCFH)	109.4535	0.009	2	109.4535	0.000	2	109.4535	0.000	2	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]HH)(CH3)(CN)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]HH)(CH3)(CN)2	H(CCHH)	109.4843	0.026	4	109.4843	0.001	4	109.4751	0.001	7	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]HP)(CH3)(CN)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]HP)(CH3)(CN)2	H(CCHH)	109.4630	0.017	3	109.4630	0.000	3	109.4751	0.001	7	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(CN)(NC)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CN)(NC)	H(CCHH)	109.4670	0.011	3	109.4670	0.000	3	109.3749	1.232	9	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(CN)(NN)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CN)(NN)	H(CCHH)	109.3288	1.401	6	109.3288	1.964	6	109.3749	1.232	9	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)(CC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)(CC)(OH)	H(CCHH)	109.4320	0.033	5	109.4320	0.001	5	109.4987	0.129	190	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]CH)(CH3)(CN)(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]CH)(CH3)(CN)(OC)	H(CCHH)	109.4895	0.056	2	109.4895	0.003	2	109.4987	0.129	190	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CC)(OC)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CC)(OC)	H(CCHH)	109.4663	0.035	8	109.4663	0.001	8	109.4987	0.129	190	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CC)(OH)	H(CCHH)	109.5027	0.380	169	109.5027	0.145	169	109.4987	0.129	190	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CN)(OO)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CN)(OO)	H(CCHH)	109.4890	0.024	6	109.4890	0.001	6	109.4987	0.129	190	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-2:H-2:	C-4:	C(CCHH)(H)3	C(CCHH)(CH3)(HNa)2	H(CCHH)	C(CCHH)(H)3	C(CCHH)(CH3)(HNa)2	H(CCHH)	109.4672	0.040	6	109.4672	0.002	6	109.4672	0.002	6	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:O-2:	C-4:	C(CCNO)(H)3	C(CH3)2(NN)(OO)	H(CCHH)	C(CCNO)(H)3	C(CH3)2(NN)(OO)	H(CCHH)	109.4770	0.015	4	109.4770	0.000	4	109.4770	0.000	4	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:C-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)(OSi)(CC)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)(OSi)(CC)	H(CCHH)	109.4530	0.024	3	109.4530	0.001	3	109.4530	0.001	3	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(H)3	C(CCHH)(CH3)(OC)2	H(CCHH)	C(CCOO)(H)3	C(CCHH)(CH3)(OC)2	H(CCHH)	110.0017	0.735	3	110.0017	0.540	3	109.4821	0.399	93	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(H)3	C(CCHO)(CH3)(OC)2	H(CCHH)	C(CCOO)(H)3	C(CCHO)(CH3)(OC)2	H(CCHH)	109.4597	0.042	3	109.4597	0.002	3	109.4821	0.399	93	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(H)3	C(CH3)2(OC)2	H(CCHH)	C(CCOO)(H)3	C(CH3)2(OC)2	H(CCHH)	109.4598	0.159	12	109.4598	0.025	12	109.4821	0.399	93	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(H)3	C(CH3)2(OO)2	H(CCHH)	C(CCOO)(H)3	C(CH3)2(OO)2	H(CCHH)	109.4657	0.683	75	109.4657	0.466	75	109.4821	0.399	93	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:S-2:	C-4:	C(CCSS)(H)3	C(CH3)2(SC)2	H(CCHH)	C(CCSS)(H)3	C(CH3)2(SC)2	H(CCHH)	109.4700	0.022	3	109.4700	0.000	3	109.4700	0.000	3	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-2:O-2:	C-4:	C(CCOP)(H)3	C(CH3)(PO3)(CC)(OH)	H(CCHH)	C(CCOP)(H)3	C(CH3)(PO3)(CC)(OH)	H(CCHH)	109.4763	0.027	3	109.4763	0.001	3	109.4763	0.001	3	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:2:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-2:C-2:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	H(CCHH)	109.4073	0.020	3	109.4073	0.000	3	109.4073	0.000	3	109.4871	0.221	323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(Br)(H)2	C(CBrHH)(CCCH)(NCH)(H)	H(CBrCH)	C(CCHN)(Br)(H)2	C(CBrHH)(CCCH)(NCH)(H)	H(CBrCH)	109.3460	0.024	2	109.3460	0.001	2	109.3460	0.001	2	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:Br-1:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(Br)(H)2	C(CBrHH)(NH3)(COO)(H)	H(CBrCH)	C(CCHN)(Br)(H)2	C(CBrHH)(NH3)(COO)(H)	H(CBrCH)	109.4755	0.008	2	109.4755	0.000	2	109.4755	0.000	2	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(Cl)(H)2	C(CC[6a]HO)(CClHH)(CCO)(H)	H(CClCH)	C(CCCH)(Cl)(H)2	C(CC[6a]HO)(CClHH)(CCO)(H)	H(CClCH)	108.2290	3.985	2	108.2290	15.882	2	108.2290	15.882	2	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(Cl)(H)2	C(CC[6a]HH)(CClHH)(NCH)(H)	H(CClCH)	C(CCHN)(Cl)(H)2	C(CC[6a]HH)(CClHH)(NCH)(H)	H(CClCH)	109.2845	0.173	4	109.2845	0.030	4	109.2147	0.030	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(Cl)(H)2	C(CClHH)(CCCH)(NCH)(H)	H(CClCH)	C(CCHN)(Cl)(H)2	C(CClHH)(CCCH)(NCH)(H)	H(CClCH)	109.0750	0.013	2	109.0750	0.000	2	109.2147	0.030	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OFeH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OFeH)(H)	H(CClCH)	108.3983	0.138	3	108.3983	0.019	3	109.0284	0.362	7	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(ONiH)(H)	H(CClCH)	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(ONiH)(H)	H(CClCH)	109.5010	0.126	4	109.5010	0.016	4	109.0284	0.362	7	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(F)2(H)	C(CCCH)(CFFH)(NHS)(H)	H(CCFF)	C(CCHN)(F)2(H)	C(CCCH)(CFFH)(NHS)(H)	H(CCFF)	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(F)(H)2	C(CC[6a]FH)(CFHH)(NHS)(H)	H(CCFH)	C(CCHN)(F)(H)2	C(CC[6a]FH)(CFHH)(NHS)(H)	H(CCFH)	110.0498	0.117	4	110.0498	0.014	4	110.0498	0.014	4	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-3:H-1:	C-4:	C(CBCH)(H)3	C(BC[6a]2C)(CH3)(CHN)(H)	H(CCHH)	C(CBCH)(H)3	C(BC[6a]2C)(CH3)(CHN)(H)	H(CCHH)	110.3220	0.180	3	110.3220	0.032	3	110.3220	0.032	3	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(H)3	C(CBrCH)(CH3)(CNO)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CBrCH)(CH3)(CNO)(Br)	H(CCHH)	109.4770	0.053	3	109.4770	0.003	3	109.4704	0.001	69	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(H)3	C(CCCO)(CH3)(COO)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CCCO)(CH3)(COO)(Br)	H(CCHH)	109.4597	0.040	6	109.4597	0.002	6	109.4704	0.001	69	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(H)3	C(CCHO)(CH3)(COO)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CCHO)(CH3)(COO)(Br)	H(CCHH)	109.4743	0.027	3	109.4743	0.001	3	109.4704	0.001	69	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(H)3	C(CH3)2(CNO)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CH3)2(CNO)(Br)	H(CCHH)	109.4703	0.032	35	109.4703	0.001	35	109.4704	0.001	69	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(H)3	C(CH3)2(COO)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CH3)2(COO)(Br)	H(CCHH)	109.4705	0.037	19	109.4705	0.001	19	109.4704	0.001	69	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(H)3	C(CHOO)(CH3)(CCO)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CHOO)(CH3)(CCO)(Br)	H(CCHH)	109.4823	0.040	3	109.4823	0.002	3	109.4704	0.001	69	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:F-1:	C-4:	C(CCCF)(H)3	C(CCCH)(CH3)(CNO)(F)	H(CCHH)	C(CCCF)(H)3	C(CCCH)(CH3)(CNO)(F)	H(CCHH)	109.4765	0.036	2	109.4765	0.001	2	109.4765	0.001	2	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CAlHH)(CH3)(CHH)(H)	H(CCHH)	C(CCCH)(H)3	C(CAlHH)(CH3)(CHH)(H)	H(CCHH)	109.0783	7.106	3	109.0783	50.498	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)(CCC)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)(CCC)(H)	H(CCHH)	109.4364	0.177	5	109.4364	0.031	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	H(CCHH)	109.5748	0.605	83	109.5748	0.367	83	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)(CCN)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)(CCN)(H)	H(CCHH)	111.0317	4.109	3	111.0317	16.884	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)(CCO)(H)	H(CCHH)	109.4710	0.000	1	109.4710	0.000	1	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)(CNO)(H)	H(CCHH)	109.7533	1.057	6	109.7533	1.118	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)(CNS)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)(CNS)(H)	H(CCHH)	109.4600	0.013	3	109.4600	0.000	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)(COO)(H)	H(CCHH)	109.4526	0.058	5	109.4526	0.003	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCN)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCN)(CH3)(CCH)(H)	H(CCHH)	109.4836	0.014	5	109.4836	0.000	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCN)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCN)(CH3)(CNO)(H)	H(CCHH)	109.4950	0.029	8	109.4950	0.001	8	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCCO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCO)(CH3)(CCH)(H)	H(CCHH)	109.4614	0.027	10	109.4614	0.001	10	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CCC)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CCC)(H)	H(CCHH)	109.4525	0.066	11	109.4525	0.004	11	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	H(CCHH)	109.5617	0.490	69	109.5617	0.240	69	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CCI)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CCI)(H)	H(CCHH)	109.4802	0.045	12	109.4802	0.002	12	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	H(CCHH)	109.4733	0.045	70	109.4733	0.002	70	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CCS)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CCS)(H)	H(CCHH)	109.4736	0.032	19	109.4736	0.001	19	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CHO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CHO)(H)	H(CCHH)	109.5080	0.014	3	109.5080	0.000	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	H(CCHH)	109.4798	0.291	28	109.4798	0.085	28	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CNS)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CNS)(H)	H(CCHH)	109.4653	0.015	3	109.4653	0.000	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	H(CCHH)	109.5879	0.467	103	109.5879	0.218	103	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)(CSS)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)(CSS)(H)	H(CCHH)	109.4225	0.032	2	109.4225	0.001	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHN)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHN)(CH3)(CCH)(H)	H(CCHH)	109.8984	3.789	8	109.8984	14.359	8	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHN)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHN)(CH3)(CCO)(H)	H(CCHH)	109.4856	0.037	7	109.4856	0.001	7	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHN)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHN)(CH3)(CNO)(H)	H(CCHH)	109.4815	0.018	2	109.4815	0.000	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHN)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHN)(CH3)(COO)(H)	H(CCHH)	109.5264	0.787	12	109.5264	0.619	12	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)(CCC)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)(CCC)(H)	H(CCHH)	109.9426	1.348	19	109.9426	1.816	19	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	H(CCHH)	109.6682	1.138	114	109.6682	1.295	114	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	H(CCHH)	109.5017	0.305	82	109.5017	0.093	82	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)(CCS)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)(CCS)(H)	H(CCHH)	109.4577	0.039	24	109.4577	0.002	24	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)(CNO)(H)	H(CCHH)	109.4670	0.013	6	109.4670	0.000	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	H(CCHH)	109.4753	0.055	31	109.4753	0.003	31	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CCHS)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHS)(CH3)(CCO)(H)	H(CCHH)	109.4595	0.013	2	109.4595	0.000	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[3x6]HH)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3x6]HH)(CH3)(COO)(H)	H(CCHH)	109.4870	0.019	3	109.4870	0.000	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5,6,6]HH)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5,6,6]HH)(CH3)(COO)(H)	H(CCHH)	109.4753	0.063	3	109.4753	0.004	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]CH)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]CH)(CH3)(CCH)(H)	H(CCHH)	109.4792	0.031	6	109.4792	0.001	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCC)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCC)(H)	H(CCHH)	109.4550	0.049	10	109.4550	0.002	10	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCH)(H)	H(CCHH)	109.4635	0.035	6	109.4635	0.001	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCO)(H)	H(CCHH)	109.4740	0.020	2	109.4740	0.000	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CCH)(H)	H(CCHH)	109.4602	0.044	21	109.4602	0.002	21	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CNO)(H)	H(CCHH)	109.4800	0.035	3	109.4800	0.001	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]HN)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]HN)(CH3)(CCH)(H)	H(CCHH)	109.4580	0.054	6	109.4580	0.003	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]CH)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]CH)(CH3)(COO)(H)	H(CCHH)	109.4677	0.021	3	109.4677	0.000	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HO)(CH3)(CCH)(H)	H(CCHH)	109.4695	2.604	17	109.4695	6.780	17	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]B[5]H)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]B[5]H)(CH3)(CCO)(H)	H(CCHH)	109.4568	0.041	5	109.4568	0.002	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CC)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CC)(CH3)(CCH)(H)	H(CCHH)	109.4665	0.025	2	109.4665	0.001	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCH)(H)	H(CCHH)	109.4673	0.024	3	109.4673	0.001	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCO)(H)	H(CCHH)	109.4824	0.020	8	109.4824	0.000	8	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CHO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CHO)(H)	H(CCHH)	109.4500	0.045	3	109.4500	0.002	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CNO)(H)	H(CCHH)	109.4943	0.052	9	109.4943	0.003	9	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(COO)(H)	H(CCHH)	109.4715	0.006	2	109.4715	0.000	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(COS)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(COS)(H)	H(CCHH)	109.5513	1.078	6	109.5513	1.162	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CN)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CN)(CH3)(CCH)(H)	H(CCHH)	110.2317	1.779	3	110.2317	3.164	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CCH)(H)	H(CCHH)	109.5037	0.930	3	109.5037	0.865	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CHN)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CHN)(H)	H(CCHH)	109.4600	0.000	2	109.4600	0.000	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CNO)(H)	H(CCHH)	109.4972	0.034	4	109.4972	0.001	4	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(COO)(H)	H(CCHH)	111.0510	3.372	6	111.0510	11.368	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]C[6]H)(CH3)(CCN)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]C[6]H)(CH3)(CCN)(H)	H(CCHH)	109.4507	0.057	3	109.4507	0.003	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(CCN)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(CCN)(H)	H(CCHH)	109.5080	0.004	2	109.5080	0.000	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(CNO)(H)	H(CCHH)	109.4798	0.024	6	109.4798	0.001	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(COO)(H)	H(CCHH)	109.5095	0.042	2	109.5095	0.002	2	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CCH)(H)	H(CCHH)	109.4792	0.041	13	109.4792	0.002	13	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CCO)(H)	H(CCHH)	111.7167	1.245	3	111.7167	1.550	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CNO)(H)	H(CCHH)	109.4872	0.079	6	109.4872	0.006	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(COO)(H)	H(CCHH)	109.4937	0.059	3	109.4937	0.004	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCC)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCC)(H)	H(CCHH)	109.4598	0.029	5	109.4598	0.001	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCH)(H)	H(CCHH)	109.6526	0.729	24	109.6526	0.531	24	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCN)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCN)(H)	H(CCHH)	109.4567	0.050	3	109.4567	0.003	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCO)(H)	H(CCHH)	109.4727	0.022	11	109.4727	0.000	11	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CHN)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CHN)(H)	H(CCHH)	109.4595	0.057	4	109.4595	0.003	4	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CNO)(H)	H(CCHH)	109.4809	0.035	8	109.4809	0.001	8	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(COO)(H)	H(CCHH)	109.4553	0.056	3	109.4553	0.003	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HS)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HS)(CH3)(CCO)(H)	H(CCHH)	109.4808	0.014	5	109.4808	0.000	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CCC)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CCC)(H)	H(CCHH)	109.6667	0.829	149	109.6667	0.687	149	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CCH)(H)	H(CCHH)	109.5314	0.315	60	109.5314	0.099	60	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CCI)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CCI)(H)	H(CCHH)	109.4623	0.041	6	109.4623	0.002	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CCN)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CCN)(H)	H(CCHH)	109.6815	0.826	52	109.6815	0.682	52	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CCO)(H)	H(CCHH)	109.4709	0.046	86	109.4709	0.002	86	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CCS)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CCS)(H)	H(CCHH)	109.4953	0.052	6	109.4953	0.003	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CHN)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CHN)(H)	H(CCHH)	109.4719	0.040	14	109.4719	0.002	14	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CNN)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CNN)(H)	H(CCHH)	109.4665	0.036	13	109.4665	0.001	13	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CNO)(H)	H(CCHH)	109.4885	0.565	236	109.4885	0.319	236	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(COO)(H)	H(CCHH)	109.5423	0.618	192	109.5423	0.381	192	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(COS)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(COS)(H)	H(CCHH)	109.4316	0.021	5	109.4316	0.000	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CH3)2(CSS)(H)	H(CCHH)	C(CCCH)(H)3	C(CH3)2(CSS)(H)	H(CCHH)	109.4842	0.046	5	109.4842	0.002	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHN)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHN)(CH3)(CCH)(H)	H(CCHH)	109.4410	0.043	6	109.4410	0.002	6	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHN)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHN)(CH3)(CNO)(H)	H(CCHH)	108.7597	1.033	3	108.7597	1.067	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHN)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHN)(CH3)(COO)(H)	H(CCHH)	110.7757	1.561	3	110.7757	2.435	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHO)(CH3)(CCC)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHO)(CH3)(CCC)(H)	H(CCHH)	109.4090	0.411	3	109.4090	0.169	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHO)(CH3)(CCH)(H)	H(CCHH)	109.8052	0.768	12	109.8052	0.590	12	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHO)(CH3)(CCO)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHO)(CH3)(CCO)(H)	H(CCHH)	109.4753	0.021	3	109.4753	0.000	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHP)(CH3)(COO)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHP)(CH3)(COO)(H)	H(CCHH)	109.4690	0.033	3	109.4690	0.001	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CHHS)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHS)(CH3)(CNO)(H)	H(CCHH)	109.4708	0.030	5	109.4708	0.001	5	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CN[5a]HH)(CH3)(CNO)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5a]HH)(CH3)(CNO)(H)	H(CCHH)	109.4670	0.005	4	109.4670	0.000	4	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(H)3	C(CSiCO)(CH3)(CCH)(H)	H(CCHH)	C(CCCH)(H)3	C(CSiCO)(CH3)(CCH)(H)	H(CCHH)	109.4783	0.029	3	109.4783	0.001	3	109.5572	0.570	1865	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-1:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(O)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(O)	H(CCHH)	109.4330	0.773	3	109.4330	0.597	3	109.4330	0.597	3	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:Cl-1:	C-4:	C(CClCN)(H)3	C(CC[6a]HN)(CH3)(NOO)(Cl)	H(CCHH)	C(CClCN)(H)3	C(CC[6a]HN)(CH3)(NOO)(Cl)	H(CCHH)	109.4793	0.031	6	109.4793	0.001	6	109.4792	0.001	9	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:Cl-1:	C-4:	C(CClCN)(H)3	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	H(CCHH)	C(CClCN)(H)3	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	H(CCHH)	109.4790	0.056	3	109.4790	0.003	3	109.4792	0.001	9	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CBrCH)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CBrCH)(CH3)(NCH)(H)	H(CCHH)	109.4130	0.039	3	109.4130	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC3)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC3)(CH3)(NCC)(H)	H(CCHH)	109.4279	0.310	14	109.4279	0.096	14	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC3)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC3)(CH3)(NCH)(H)	H(CCHH)	109.4617	0.039	30	109.4617	0.002	30	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC3)(CH3)(NHP)(H)	H(CCHH)	C(CCHN)(H)3	C(CC3)(CH3)(NHP)(H)	H(CCHH)	109.4985	0.040	6	109.4985	0.002	6	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCCH)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CCCH)(CH3)(NCH)(H)	H(CCHH)	109.4874	0.212	10	109.4874	0.045	10	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCCH)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CCCH)(CH3)(NHS)(H)	H(CCHH)	109.4847	0.015	3	109.4847	0.000	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCCH)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CCCH)(CH3)(NOO)(H)	H(CCHH)	109.4823	0.036	3	109.4823	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCCO)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CCCO)(CH3)(NHS)(H)	H(CCHH)	109.4703	0.021	3	109.4703	0.000	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCFH)(CH3)(NSS)(H)	H(CCHH)	C(CCHN)(H)3	C(CCFH)(CH3)(NSS)(H)	H(CCHH)	109.4667	0.026	3	109.4667	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	H(CCHH)	109.4822	0.041	35	109.4822	0.002	35	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	H(CCHH)	109.4703	0.105	83	109.4703	0.011	83	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NCP)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NCP)(H)	H(CCHH)	109.4293	0.045	3	109.4293	0.002	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NHH)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NHH)(H)	H(CCHH)	109.4829	0.102	18	109.4829	0.010	18	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NHN)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NHN)(H)	H(CCHH)	109.4560	0.031	7	109.4560	0.001	7	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NHP)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NHP)(H)	H(CCHH)	109.4426	0.082	5	109.4426	0.007	5	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NHS)(H)	H(CCHH)	109.4487	0.034	3	109.4487	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHN)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHN)(CH3)(NCC)(H)	H(CCHH)	108.8193	3.385	3	108.8193	11.457	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHN)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHN)(CH3)(NCH)(H)	H(CCHH)	109.4673	0.028	6	109.4673	0.001	6	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHN)(CH3)(NCO)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHN)(CH3)(NCO)(H)	H(CCHH)	109.4697	0.026	3	109.4697	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHO)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHO)(CH3)(NCC)(H)	H(CCHH)	109.4723	0.023	6	109.4723	0.001	6	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCHO)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHO)(CH3)(NHS)(H)	H(CCHH)	109.4727	0.051	4	109.4727	0.003	4	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCOP)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CCOP)(CH3)(NOO)(H)	H(CCHH)	109.5005	0.005	2	109.5005	0.000	2	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[5]CH)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[5]CH)(CH3)(NOO)(H)	H(CCHH)	109.4875	0.018	2	109.4875	0.000	2	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[5a]CH)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[5a]CH)(CH3)(NOO)(H)	H(CCHH)	109.1590	1.255	3	109.1590	1.576	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	H(CCHH)	109.4747	0.025	3	109.4747	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[5a]HH)(CH3)(NCN)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[5a]HH)(CH3)(NCN)(H)	H(CCHH)	109.4210	0.017	2	109.4210	0.000	2	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6]HH)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6]HH)(CH3)(NOO)(H)	H(CCHH)	109.4748	0.017	5	109.4748	0.000	5	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NOO)(H)	H(CCHH)	109.4675	0.045	13	109.4675	0.002	13	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]CO)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]CO)(CH3)(NCH)(H)	H(CCHH)	109.4848	0.012	4	109.4848	0.000	4	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]CO)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]CO)(CH3)(NOO)(H)	H(CCHH)	109.4820	0.037	3	109.4820	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]C[3]H)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]C[3]H)(CH3)(NCC)(H)	H(CCHH)	109.4678	0.030	9	109.4678	0.001	9	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]C[5]H)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]C[5]H)(CH3)(NOO)(H)	H(CCHH)	109.4757	0.030	3	109.4757	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]C[6]H)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]C[6]H)(CH3)(NOO)(H)	H(CCHH)	109.4745	0.044	10	109.4745	0.002	10	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NHH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NHH)(H)	H(CCHH)	109.4613	0.053	3	109.4613	0.003	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NHS)(H)	H(CCHH)	109.4808	0.018	5	109.4808	0.000	5	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NCH)(H)	H(CCHH)	109.4823	0.038	16	109.4823	0.001	16	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NHS)(H)	H(CCHH)	109.5000	0.010	2	109.5000	0.000	2	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NOO)(H)	H(CCHH)	109.4868	0.025	6	109.4868	0.001	6	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCC)(H)	H(CCHH)	109.5429	0.482	61	109.5429	0.232	61	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCH)(H)	H(CCHH)	109.7566	0.647	20	109.7566	0.419	20	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCP)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCP)(H)	H(CCHH)	109.4700	0.035	23	109.4700	0.001	23	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCS)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCS)(H)	H(CCHH)	109.4600	0.053	3	109.4600	0.003	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NOO)(H)	H(CCHH)	109.4812	0.035	6	109.4812	0.001	6	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NSS)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NSS)(H)	H(CCHH)	109.5182	0.047	5	109.5182	0.002	5	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HS)(CH3)(NCS)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HS)(CH3)(NCS)(H)	H(CCHH)	109.3953	1.100	3	109.3953	1.211	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HS)(CH3)(NOO)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HS)(CH3)(NOO)(H)	H(CCHH)	109.4830	0.021	3	109.4830	0.000	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	H(CCHH)	109.4393	0.046	3	109.4393	0.002	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	H(CCHH)	109.4523	0.042	9	109.4523	0.002	9	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CClCH)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CClCH)(CH3)(NHS)(H)	H(CCHH)	110.0130	0.681	5	110.0130	0.463	5	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CCo2C)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CCo2C)(CH3)(NCC)(H)	H(CCHH)	109.4697	0.027	3	109.4697	0.001	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NBC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NBC)(H)	H(CCHH)	109.4746	0.202	363	109.4746	0.041	363	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NBH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NBH)(H)	H(CCHH)	109.4750	0.018	5	109.4750	0.000	5	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCC)(H)	H(CCHH)	109.5599	1.308	2518	109.5599	1.711	2518	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCH)(H)	H(CCHH)	109.4912	0.737	1198	109.4912	0.544	1198	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCN)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCN)(H)	H(CCHH)	109.6628	0.971	108	109.6628	0.942	108	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCO)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCO)(H)	H(CCHH)	110.7821	2.510	18	110.7821	6.299	18	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCP)(H)	H(CCHH)	109.5803	1.422	821	109.5803	2.021	821	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCS)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCS)(H)	H(CCHH)	109.4789	0.051	22	109.4789	0.003	22	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCU)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCU)(H)	H(CCHH)	109.8904	1.329	99	109.8904	1.767	99	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCV)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCV)(H)	H(CCHH)	109.4808	0.036	19	109.4808	0.001	19	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCW)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCW)(H)	H(CCHH)	109.4655	0.036	75	109.4655	0.001	75	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NCY)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NCY)(H)	H(CCHH)	109.6269	0.602	98	109.6269	0.362	98	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NHN)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NHN)(H)	H(CCHH)	109.4748	0.016	4	109.4748	0.000	4	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NHP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NHP)(H)	H(CCHH)	109.5000	0.417	331	109.5000	0.174	331	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NHS)(H)	H(CCHH)	109.4743	0.024	7	109.4743	0.001	7	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NPP)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NPP)(H)	H(CCHH)	109.4773	0.045	119	109.4773	0.002	119	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NPU)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NPU)(H)	H(CCHH)	109.4584	0.059	9	109.4584	0.003	9	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NPV)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NPV)(H)	H(CCHH)	109.9757	1.057	24	109.9757	1.117	24	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NSS)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NSS)(H)	H(CCHH)	103.9950	3.892	6	103.9950	15.148	6	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(CH3)(NCH)(H)	H(CCHH)	109.7738	0.936	65	109.7738	0.876	65	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(CH3)(NCS)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(CH3)(NCS)(H)	H(CCHH)	109.4713	0.020	3	109.4713	0.000	3	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(CH3)(NHH)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(CH3)(NHH)(H)	H(CCHH)	109.4906	0.144	9	109.4906	0.021	9	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CHHO)(CH3)(NCC)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHO)(CH3)(NCC)(H)	H(CCHH)	109.4676	0.040	18	109.4676	0.002	18	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CHHO)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHO)(CH3)(NCH)(H)	H(CCHH)	109.4794	0.026	32	109.4794	0.001	32	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CHHO)(CH3)(NHS)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHO)(CH3)(NHS)(H)	H(CCHH)	109.4608	0.041	6	109.4608	0.002	6	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(H)3	C(CN[5]CH)(CH3)(NCH)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5]CH)(CH3)(NCH)(H)	H(CCHH)	109.4774	0.030	8	109.4774	0.001	8	109.5420	1.169	6471	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OCV)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OCV)(H)	H(CCHH)	109.4533	0.027	10	109.4533	0.001	10	108.1851	8.793	16	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(H)3	C(CH3)2(OHU)(H)	H(CCHH)	C(CCHO)(H)3	C(CH3)2(OHU)(H)	H(CCHH)	106.0713	4.219	6	106.0713	17.798	6	108.1851	8.793	16	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:H-1:	C-4:	C(CCHP)(H)3	C(CH3)2(PCC)(H)	H(CCHH)	C(CCHP)(H)3	C(CH3)2(PCC)(H)	H(CCHH)	110.0431	1.870	529	110.0431	3.498	529	109.9400	2.824	718	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:H-1:	C-4:	C(CCHP)(H)3	C(CH3)2(PCN)(H)	H(CCHH)	C(CCHP)(H)3	C(CH3)2(PCN)(H)	H(CCHH)	109.7190	1.052	140	109.7190	1.107	140	109.9400	2.824	718	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:H-1:	C-4:	C(CCHP)(H)3	C(CH3)2(PCO)(H)	H(CCHH)	C(CCHP)(H)3	C(CH3)2(PCO)(H)	H(CCHH)	109.4671	0.028	8	109.4671	0.001	8	109.9400	2.824	718	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:H-1:	C-4:	C(CCHP)(H)3	C(CH3)2(PCP)(H)	H(CCHH)	C(CCHP)(H)3	C(CH3)2(PCP)(H)	H(CCHH)	109.4543	0.133	36	109.4543	0.018	36	109.9400	2.824	718	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:H-1:	C-4:	C(CCHP)(H)3	C(CH3)2(PNN)(H)	H(CCHH)	C(CCHP)(H)3	C(CH3)2(PNN)(H)	H(CCHH)	109.4734	0.036	5	109.4734	0.001	5	109.9400	2.824	718	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SCW)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SCW)(H)	H(CCHH)	109.4710	0.031	5	109.4710	0.001	5	109.4690	0.001	8	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(H)3	C(CH3)2(SNO)(H)	H(CCHH)	C(CCHS)(H)3	C(CH3)2(SNO)(H)	H(CCHH)	109.4657	0.040	3	109.4657	0.002	3	109.4690	0.001	8	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(NH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(NH3)(CNO)(H)	H(CCHH)	109.8892	0.900	76	109.8892	0.810	76	109.7784	0.508	306	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(CH3)(NH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)(NH3)(COO)(H)	H(CCHH)	109.7418	0.637	230	109.7418	0.405	230	109.7784	0.508	306	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:N-3:H-1:	C-4:	C(CHNP)(H)3	C(CH3)(PO3)(NCH)(H)	H(CCHH)	C(CHNP)(H)3	C(CH3)(PO3)(NCH)(H)	H(CCHH)	109.4485	0.043	6	109.4485	0.002	6	109.4485	0.002	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-3:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CH3)(CNO)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CH3)(CNO)(H)	H(CCHH)	109.4693	0.026	3	109.4693	0.001	3	109.4693	0.001	3	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:	C(CC[3]HN)(H)3	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	H(CCHH)	C(CC[3]HN)(H)3	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	H(CCHH)	109.4808	0.021	4	109.4808	0.000	4	109.4808	0.000	4	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:N-3:H-1:	C-4:	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	H(CCHH)	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	H(CCHH)	109.4799	0.024	8	109.4799	0.001	8	109.6160	0.097	14	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:N-3:H-1:	C-4:	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	H(CCHH)	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	H(CCHH)	109.7975	0.426	6	109.7975	0.182	6	109.6160	0.097	14	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:N-3:H-1:	C-4:	C(CC[4]HN)(H)3	C(C[4]C[4]2H)(CH3)(NCH)(H)	H(CCHH)	C(CC[4]HN)(H)3	C(C[4]C[4]2H)(CH3)(NCH)(H)	H(CCHH)	109.4529	0.064	7	109.4529	0.004	7	109.4529	0.004	7	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-3:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	H(CCHH)	109.5180	0.050	3	109.5180	0.002	3	109.4877	0.002	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-3:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	H(CCHH)	109.4573	0.031	3	109.4573	0.001	3	109.4877	0.002	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-3:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	H(CCHH)	109.7682	0.757	5	109.7682	0.573	5	110.5549	7.798	14	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-3:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	H(CCHH)	114.0057	5.167	3	114.0057	26.700	3	110.5549	7.798	14	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-3:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCO)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCO)(H)	H(CCHH)	109.4870	0.017	3	109.4870	0.000	3	110.5549	7.798	14	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-3:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	H(CCHH)	109.4830	0.033	3	109.4830	0.001	3	110.5549	7.798	14	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	H(CCHH)	109.4844	0.645	80	109.4844	0.415	80	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	H(CCHH)	109.4785	0.022	2	109.4785	0.000	2	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	H(CCHH)	109.4758	0.012	5	109.4758	0.000	5	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	H(CCHH)	109.4721	0.040	16	109.4721	0.002	16	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	H(CCHH)	109.4917	0.034	3	109.4917	0.001	3	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	H(CCHH)	109.3874	2.434	10	109.3874	5.926	10	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	H(CCHH)	109.4923	0.021	3	109.4923	0.000	3	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	H(CCHH)	109.4650	0.050	5	109.4650	0.002	5	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CH3)(CCH)(H)	H(CCHH)	110.4290	1.794	3	110.4290	3.218	3	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(CCH)(H)	H(CCHH)	109.4708	0.023	5	109.4708	0.001	5	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(COO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)(COO)(H)	H(CCHH)	109.4885	0.026	4	109.4885	0.001	4	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CH3)(CCO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CH3)(CCO)(H)	H(CCHH)	109.4630	0.033	2	109.4630	0.001	2	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]C)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]C)(CH3)(CCH)(H)	H(CCHH)	111.5840	1.366	3	111.5840	1.866	3	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	H(CCHH)	110.3645	1.019	6	110.3645	1.039	6	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	H(CCHH)	109.4950	0.011	3	109.4950	0.000	3	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	H(CCHH)	109.4668	0.017	6	109.4668	0.000	6	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	H(CCHH)	109.6460	0.614	30	109.6460	0.377	30	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	H(CCHH)	109.5158	1.089	21	109.5158	1.186	21	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	H(CCHH)	109.4719	0.040	10	109.4719	0.002	10	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	H(CCHH)	110.3687	1.559	6	110.3687	2.432	6	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	H(CCHH)	109.4784	0.046	5	109.4784	0.002	5	109.5880	0.758	228	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	H(CCHH)	109.4903	0.037	3	109.4903	0.001	3	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	H(CCHH)	109.4593	0.017	12	109.4593	0.000	12	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	H(CCHH)	109.4392	0.025	5	109.4392	0.001	5	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	H(CCHH)	109.4593	0.030	3	109.4593	0.001	3	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	H(CCHH)	109.5881	0.829	58	109.5881	0.687	58	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	H(CCHH)	109.4805	0.041	22	109.4805	0.002	22	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	H(CCHH)	109.4970	0.029	6	109.4970	0.001	6	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Mn)(CH3)(NCC)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Mn)(CH3)(NCC)(H)	H(CCHH)	109.4600	0.000	1	109.4600	0.000	1	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Ru)(CH3)(NCC)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Ru)(CH3)(NCC)(H)	H(CCHH)	109.4683	0.009	3	109.4683	0.000	3	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	H(CCHH)	109.4833	0.029	3	109.4833	0.001	3	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	H(CCHH)	109.4890	0.027	5	109.4890	0.001	5	109.5287	0.330	121	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-3:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(H)	H(CCHH)	109.4733	0.020	3	109.4733	0.000	3	109.4615	0.001	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-3:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	H(CCHH)	109.4497	0.027	3	109.4497	0.001	3	109.4615	0.001	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	H(CCHH)	109.4853	0.022	7	109.4853	0.000	7	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	H(CCHH)	109.4637	0.032	6	109.4637	0.001	6	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	H(CCHH)	110.8903	0.486	3	110.8903	0.237	3	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	H(CCHH)	109.4630	0.018	3	109.4630	0.000	3	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CH3)(CCO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CH3)(CCO)(H)	H(CCHH)	109.4393	0.030	3	109.4393	0.001	3	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(CHH)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(CHH)(H)	H(CCHH)	110.9300	6.050	3	110.9300	36.605	3	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(COO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(COO)(H)	H(CCHH)	109.4734	0.032	27	109.4734	0.001	27	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	H(CCHH)	109.4640	0.017	4	109.4640	0.000	4	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	H(CCHH)	109.4613	0.135	3	109.4613	0.018	3	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	H(CCHH)	109.4740	0.045	3	109.4740	0.002	3	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	H(CCHH)	109.4740	0.228	5	109.4740	0.052	5	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	H(CCHH)	110.1247	2.244	3	110.1247	5.033	3	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	H(CCHH)	109.4861	0.027	9	109.4861	0.001	9	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]S[6]2C)(CH3)(CCH)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]S[6]2C)(CH3)(CCH)(H)	H(CCHH)	109.4700	0.046	5	109.4700	0.002	5	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]S[6]2Si)(CH3)(CHO)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]S[6]2Si)(CH3)(CHO)(H)	H(CCHH)	109.4732	0.024	5	109.4732	0.001	5	109.5913	1.096	89	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	H(CCHH)	109.4600	0.054	3	109.4600	0.003	3	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	H(CCHH)	109.4727	0.019	3	109.4727	0.000	3	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	H(CCHH)	109.4704	0.025	5	109.4704	0.001	5	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2Cr)(CH3)(NCC)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2Cr)(CH3)(NCC)(H)	H(CCHH)	109.4680	0.025	5	109.4680	0.001	5	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NCC)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NCC)(H)	H(CCHH)	111.0680	2.249	3	111.0680	5.057	3	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NCH)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NCH)(H)	H(CCHH)	109.4698	0.023	13	109.4698	0.001	13	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2Pd)(CH3)(NCP)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2Pd)(CH3)(NCP)(H)	H(CCHH)	109.4437	0.474	6	109.4437	0.224	6	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2Ru)(CH3)(NCP)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2Ru)(CH3)(NCP)(H)	H(CCHH)	109.4687	0.022	3	109.4687	0.000	3	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	H(CCHH)	109.4993	0.067	3	109.4993	0.004	3	109.5765	0.429	44	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCHH)(CH3)(CCH)(H)	H(CCHH)	C(CCHN)(H)3	C(NCHH)(CH3)(CCH)(H)	H(CCHH)	109.4044	0.325	12	109.4044	0.106	12	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCHH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCHH)(CH3)(COO)(H)	H(CCHH)	109.4736	0.036	36	109.4736	0.001	36	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]HH)(CH3)(CCN)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]HH)(CH3)(CCN)(H)	H(CCHH)	109.4570	0.039	5	109.4570	0.002	5	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCaHH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCaHH)(CH3)(COO)(H)	H(CCHH)	109.4640	0.020	3	109.4640	0.000	3	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCoCC)(CH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCC)(CH3)(CNO)(H)	H(CCHH)	109.5475	0.275	22	109.5475	0.075	22	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCoCC)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCC)(CH3)(COO)(H)	H(CCHH)	109.4630	0.017	3	109.4630	0.000	3	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCoCH)(CH3)(CCN)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCH)(CH3)(CCN)(H)	H(CCHH)	109.4686	0.058	20	109.4686	0.003	20	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCoCH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCH)(CH3)(COO)(H)	H(CCHH)	109.4763	0.037	9	109.4763	0.001	9	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCoHH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoHH)(CH3)(COO)(H)	H(CCHH)	109.4846	0.035	5	109.4846	0.001	5	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCuCH)(CH3)(CCN)(H)	H(CCHH)	C(CCHN)(H)3	C(NCuCH)(CH3)(CCN)(H)	H(CCHH)	109.4911	0.067	11	109.4911	0.005	11	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NCuHH)(CH3)(CHH)(H)	H(CCHH)	C(CCHN)(H)3	C(NCuHH)(CH3)(CHH)(H)	H(CCHH)	109.5137	0.021	3	109.5137	0.000	3	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NHHW)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NHHW)(CH3)(COO)(H)	H(CCHH)	109.4587	0.026	3	109.4587	0.001	3	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NMgCC)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NMgCC)(CH3)(COO)(H)	H(CCHH)	109.4872	0.038	6	109.4872	0.001	6	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NMnCC)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NMnCC)(CH3)(COO)(H)	H(CCHH)	109.4540	0.000	1	109.4540	0.000	1	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NMoCO)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NMoCO)(CH3)(COO)(H)	H(CCHH)	109.4577	0.039	6	109.4577	0.002	6	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NNiCH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiCH)(CH3)(COO)(H)	H(CCHH)	109.7475	1.327	15	109.7475	1.761	15	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NPdCC)(CH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(NPdCC)(CH3)(CNO)(H)	H(CCHH)	109.4737	0.036	10	109.4737	0.001	10	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NPdHH)(CH3)(CNO)(H)	H(CCHH)	C(CCHN)(H)3	C(NPdHH)(CH3)(CNO)(H)	H(CCHH)	109.4875	0.045	2	109.4875	0.002	2	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NPtCH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NPtCH)(CH3)(COO)(H)	H(CCHH)	109.4342	0.039	6	109.4342	0.001	6	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NPtHH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NPtHH)(CH3)(COO)(H)	H(CCHH)	109.5400	0.027	3	109.5400	0.001	3	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(H)3	C(NZnCH)(CH3)(COO)(H)	H(CCHH)	C(CCHN)(H)3	C(NZnCH)(CH3)(COO)(H)	H(CCHH)	109.4432	0.043	6	109.4432	0.002	6	109.4992	0.155	187	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]TiC)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]TiC)(CH3)(CHH)(H)	H(CCHH)	113.0080	3.617	3	113.0080	13.083	3	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2O)(CH3)(CCO)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2O)(CH3)(CCO)(H)	H(CCHH)	109.4897	0.029	3	109.4897	0.001	3	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CO)(CH3)(CCH)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CO)(CH3)(CCH)(H)	H(CCHH)	112.6567	1.542	3	112.6567	2.377	3	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CoC)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CoC)(CH3)(CHH)(H)	H(CCHH)	109.4523	0.040	3	109.4523	0.002	3	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]PdC)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]PdC)(CH3)(CHH)(H)	H(CCHH)	109.4693	0.020	3	109.4693	0.000	3	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PIrCC)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PIrCC)(CH3)(CHH)(H)	H(CCHH)	108.3213	5.181	3	108.3213	26.841	3	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PNiCC)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PNiCC)(CH3)(CHH)(H)	H(CCHH)	106.4760	1.576	3	106.4760	2.483	3	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PRhCC)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PRhCC)(CH3)(CHH)(H)	H(CCHH)	107.3505	4.457	2	107.3505	19.864	2	109.6227	9.853	23	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:N-3:H-1:	C-4:	C(CHNP)(H)3	C(PHOO)(CH3)(NCC)(H)	H(CCHH)	C(CHNP)(H)3	C(PHOO)(CH3)(NCC)(H)	H(CCHH)	109.4743	0.039	6	109.4743	0.001	6	109.4743	0.001	6	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:	C(CCHS)(H)3	C(SCOO)(CH3)(COO)(H)	H(CCHH)	C(CCHS)(H)3	C(SCOO)(CH3)(COO)(H)	H(CCHH)	109.4800	0.027	2	109.4800	0.001	2	109.4800	0.001	2	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-3:H-1:	C-4:	C(CSiCH)(H)3	C(SiC3)(CH3)(CCC)(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC3)(CH3)(CCC)(H)	H(CCHH)	109.4580	0.011	2	109.4580	0.000	2	109.4728	0.001	13	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-3:H-1:	C-4:	C(CSiCH)(H)3	C(SiC3)(CH3)(CHH)(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC3)(CH3)(CHH)(H)	H(CCHH)	109.4813	0.022	3	109.4813	0.001	3	109.4728	0.001	13	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-3:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]3)(CH3)(COO)(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]3)(CH3)(COO)(H)	H(CCHH)	109.4550	0.025	5	109.4550	0.001	5	109.4728	0.001	13	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-3:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]CH)(CH3)(COO)(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]CH)(CH3)(COO)(H)	H(CCHH)	109.5040	0.033	3	109.5040	0.001	3	109.4728	0.001	13	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:S-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(H)2(S)	C(CHHS)(NH3)(COO)(H)	H(CCHS)	C(CCHN)(H)2(S)	C(CHHS)(NH3)(COO)(H)	H(CCHS)	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.5783	1.150	10268	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(Cl)(H)2	C(CClHH)(CH3)(CNO)(OH)	H(CClCH)	C(CCCO)(Cl)(H)2	C(CClHH)(CH3)(CNO)(OH)	H(CClCH)	108.9855	1.213	2	108.9855	1.471	2	108.9855	1.471	2	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(F)2(H)	C(CCHH)(CFFH)(COO)(OH)	H(CCFF)	C(CCCO)(F)2(H)	C(CCHH)(CFFH)(COO)(OH)	H(CCFF)	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(CC3)(H)3	C(CH3)2(CCS)(CN)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCS)(CN)	H(CCHH)	109.4763	0.041	11	109.4763	0.002	11	108.1597	30.784	46	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(CC3)(H)3	C(CH3)2(CHO)(CC)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CHO)(CC)	H(CCHH)	109.4482	0.030	5	109.4482	0.001	5	108.1597	30.784	46	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(CC3)(H)3	C(CH3)2(CNO)(CH)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CNO)(CH)	H(CCHH)	107.0347	5.698	6	107.0347	32.468	6	108.1597	30.784	46	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(CC3)(H)3	C(CH3)2(CNO)(CN)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CNO)(CN)	H(CCHH)	109.4612	0.022	6	109.4612	0.000	6	108.1597	30.784	46	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(CC3)(H)3	C(CH3)2(COO)(CC)	H(CCHH)	C(CC3)(H)3	C(CH3)2(COO)(CC)	H(CCHH)	109.4748	0.021	6	109.4748	0.000	6	108.1597	30.784	46	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(CC3)(H)3	C(CH3)2(COO)(CH)	H(CCHH)	C(CC3)(H)3	C(CH3)2(COO)(CH)	H(CCHH)	105.6702	9.968	12	105.6702	99.369	12	108.1597	30.784	46	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NH)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NH)	H(CCHH)	109.4915	0.006	2	109.4915	0.000	2	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CCCN)(CH3)(COO)(NC)	H(CCHH)	C(CCCN)(H)3	C(CCCN)(CH3)(COO)(NC)	H(CCHH)	109.4833	0.032	6	109.4833	0.001	6	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(CHH)(NC)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CHH)(NC)	H(CCHH)	108.4143	2.475	6	108.4143	6.126	6	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(CNO)(NC)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CNO)(NC)	H(CCHH)	109.1548	3.942	9	109.1548	15.539	9	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(CNO)(NN)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CNO)(NN)	H(CCHH)	109.4734	0.039	49	109.4734	0.002	49	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(CNO)(NS)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CNO)(NS)	H(CCHH)	109.4677	0.022	3	109.4677	0.000	3	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NC)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NC)	H(CCHH)	109.2581	1.999	19	109.2581	3.995	19	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NN)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NN)	H(CCHH)	110.1334	1.287	32	110.1334	1.656	32	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NS)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NS)	H(CCHH)	109.4694	0.035	5	109.4694	0.001	5	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(H)3	C(CSiHH)(CH3)(COO)(NC)	H(CCHH)	C(CCCN)(H)3	C(CSiHH)(CH3)(COO)(NC)	H(CCHH)	109.4577	0.031	3	109.4577	0.001	3	109.5317	2.258	134	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CBrCC)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CBrCC)(CH3)(COO)(OH)	H(CCHH)	109.4698	0.020	5	109.4698	0.000	5	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC3)(CH3)(CCH)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC3)(CH3)(CCH)(OH)	H(CCHH)	109.4870	0.028	3	109.4870	0.001	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCCH)(CH3)(CCH)(OC)	H(CCHH)	C(CCCO)(H)3	C(CCCH)(CH3)(CCH)(OC)	H(CCHH)	109.4583	0.026	3	109.4583	0.001	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCCH)(CH3)(CCO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCCH)(CH3)(CCO)(OH)	H(CCHH)	109.4525	0.022	2	109.4525	0.000	2	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCCH)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCCH)(CH3)(COO)(OH)	H(CCHH)	110.0952	1.565	9	110.0952	2.451	9	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCCN)(CH3)(CCC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCCN)(CH3)(CCC)(OH)	H(CCHH)	109.4727	0.014	3	109.4727	0.000	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(OH)	H(CCHH)	109.4516	0.035	21	109.4516	0.001	21	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCHN)(CH3)(CCC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHN)(CH3)(CCC)(OH)	H(CCHH)	109.4563	0.025	6	109.4563	0.001	6	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCHO)(CH3)(CCH)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHO)(CH3)(CCH)(OH)	H(CCHH)	109.4804	0.027	7	109.4804	0.001	7	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CCHO)(CH3)(CNO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHO)(CH3)(CNO)(OH)	H(CCHH)	109.5020	0.028	3	109.5020	0.001	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[3]HO)(CH3)(CCC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[3]HO)(CH3)(CCC)(OH)	H(CCHH)	109.3900	0.029	3	109.3900	0.001	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HO)(CH3)(CCO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HO)(CH3)(CCO)(OH)	H(CCHH)	109.4719	0.038	11	109.4719	0.001	11	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]CH)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]CH)(CH3)(COO)(OH)	H(CCHH)	109.4710	0.022	6	109.4710	0.000	6	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]HH)(CH3)(CCO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]HH)(CH3)(CCO)(OH)	H(CCHH)	109.8033	1.596	3	109.8033	2.546	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]HN)(CH3)(COO)(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]HN)(CH3)(COO)(OC)	H(CCHH)	109.5015	0.035	2	109.5015	0.001	2	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]HN)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]HN)(CH3)(COO)(OH)	H(CCHH)	109.4893	0.058	3	109.4893	0.003	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]HO)(CH3)(COS)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]HO)(CH3)(COS)(OH)	H(CCHH)	109.4640	0.017	2	109.4640	0.000	2	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CClCH)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CClCH)(CH3)(COO)(OH)	H(CCHH)	109.4730	0.038	3	109.4730	0.001	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CClHH)(CH3)(CNO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CClHH)(CH3)(CNO)(OH)	H(CCHH)	109.1097	0.691	3	109.1097	0.478	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CF3)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CF3)(CH3)(COO)(OH)	H(CCHH)	109.4800	0.032	5	109.4800	0.001	5	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCC)(OGe)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCC)(OGe)	H(CCHH)	109.4953	0.076	6	109.4953	0.006	6	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCC)(OH)	H(CCHH)	109.4732	0.037	16	109.4732	0.001	16	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCH)(OC)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCH)(OC)	H(CCHH)	109.8431	2.151	12	109.8431	4.625	12	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCH)(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCH)(OH)	H(CCHH)	109.4682	0.041	17	109.4682	0.002	17	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCN)(OCo)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCN)(OCo)	H(CCHH)	109.4591	0.049	7	109.4591	0.002	7	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCN)(OFe)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCN)(OFe)	H(CCHH)	109.4917	0.022	13	109.4917	0.000	13	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCN)(OPd)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCN)(OPd)	H(CCHH)	109.4708	0.038	5	109.4708	0.001	5	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCN)(OSi)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCN)(OSi)	H(CCHH)	109.4710	0.030	3	109.4710	0.001	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCO)(OC)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCO)(OC)	H(CCHH)	109.4655	0.025	8	109.4655	0.001	8	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CCO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CCO)(OH)	H(CCHH)	109.4669	0.049	36	109.4669	0.002	36	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CHH)(OC)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CHH)(OC)	H(CCHH)	111.8753	4.460	24	111.8753	19.892	24	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CNO)(OFe)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CNO)(OFe)	H(CCHH)	109.4716	0.043	13	109.4716	0.002	13	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(CNO)(ON)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(CNO)(ON)	H(CCHH)	109.5042	0.033	5	109.5042	0.001	5	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(COO)(OMg)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(COO)(OMg)	H(CCHH)	109.4666	0.037	9	109.4666	0.001	9	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CH3)2(COO)(ON)	H(CCHH)	C(CCCO)(H)3	C(CH3)2(COO)(ON)	H(CCHH)	109.4600	0.039	6	109.4600	0.002	6	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CHHN)(CH3)(CCH)(OH)	H(CCHH)	C(CCCO)(H)3	C(CHHN)(CH3)(CCH)(OH)	H(CCHH)	109.4850	0.023	2	109.4850	0.001	2	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CHHN)(CH3)(CNO)(OC)	H(CCHH)	C(CCCO)(H)3	C(CHHN)(CH3)(CNO)(OC)	H(CCHH)	109.4937	0.059	12	109.4937	0.003	12	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CHHO)(CH3)(CCC)(OH)	H(CCHH)	C(CCCO)(H)3	C(CHHO)(CH3)(CCC)(OH)	H(CCHH)	109.4947	0.040	3	109.4947	0.002	3	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CHHS)(CH3)(CNO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CHHS)(CH3)(CNO)(OH)	H(CCHH)	109.7325	1.000	15	109.7325	1.000	15	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(H)3	C(CHOO)(CH3)(COO)(OH)	H(CCHH)	C(CCCO)(H)3	C(CHOO)(CH3)(COO)(OH)	H(CCHH)	109.4728	0.029	5	109.4728	0.001	5	109.6952	2.125	320	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CCHH)(CH3)(CNO)(SC)	H(CCHH)	C(CCCS)(H)3	C(CCHH)(CH3)(CNO)(SC)	H(CCHH)	109.5010	0.059	3	109.5010	0.003	3	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CH3)2(CCN)(SCo)	H(CCHH)	C(CCCS)(H)3	C(CH3)2(CCN)(SCo)	H(CCHH)	109.4821	0.633	12	109.4821	0.400	12	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CH3)2(CCN)(SFe)	H(CCHH)	C(CCCS)(H)3	C(CH3)2(CCN)(SFe)	H(CCHH)	109.4528	0.049	4	109.4528	0.002	4	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CH3)2(CCN)(SMn)	H(CCHH)	C(CCCS)(H)3	C(CH3)2(CCN)(SMn)	H(CCHH)	109.4521	0.034	16	109.4521	0.001	16	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CH3)2(CHN)(SS)	H(CCHH)	C(CCCS)(H)3	C(CH3)2(CHN)(SS)	H(CCHH)	109.4639	0.034	8	109.4639	0.001	8	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CH3)2(CNO)(SNi)	H(CCHH)	C(CCCS)(H)3	C(CH3)2(CNO)(SNi)	H(CCHH)	109.4166	0.076	5	109.4166	0.006	5	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CH3)2(COO)(SC)	H(CCHH)	C(CCCS)(H)3	C(CH3)2(COO)(SC)	H(CCHH)	109.4588	0.018	10	109.4588	0.000	10	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)(CHH)(SS)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)(CHH)(SS)	H(CCHH)	102.8313	5.900	3	102.8313	34.805	3	109.1346	3.324	61	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(H)3	C(CCCH)(CH3)(NCH)(CN)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CH3)(NCH)(CN)	H(CCHH)	109.4997	0.061	3	109.4997	0.004	3	109.4789	0.001	39	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)(NCH)(CN)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)(NCH)(CN)	H(CCHH)	109.4803	0.011	6	109.4803	0.000	6	109.4789	0.001	39	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(H)3	C(CF3)(CH3)(NHS)(CN)	H(CCHH)	C(CCCN)(H)3	C(CF3)(CH3)(NHS)(CN)	H(CCHH)	109.4656	0.034	5	109.4656	0.001	5	109.4789	0.001	39	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(H)3	C(CH3)2(NCH)(CC)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(NCH)(CC)	H(CCHH)	109.4926	0.044	5	109.4926	0.002	5	109.4789	0.001	39	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(H)3	C(CH3)2(NCH)(CN)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(NCH)(CN)	H(CCHH)	109.4739	0.037	13	109.4739	0.001	13	109.4789	0.001	39	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)(NCH)(CN)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)(NCH)(CN)	H(CCHH)	109.4777	0.043	7	109.4777	0.002	7	109.4789	0.001	39	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:N-2:	C-4:	C(CCNN)(H)3	C(CH3)2(NOO)(NN)	H(CCHH)	C(CCNN)(H)3	C(CH3)2(NOO)(NN)	H(CCHH)	109.4762	0.059	5	109.4762	0.004	5	109.4762	0.004	5	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:C-2:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)(CNO)(CC)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)(CNO)(CC)	H(CCHH)	109.4840	0.031	3	109.4840	0.001	3	109.4840	0.001	3	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(OH)	H(CCHH)	109.4815	0.025	4	109.4815	0.001	4	109.4836	0.001	15	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CH3)(COO)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CH3)(COO)(OH)	H(CCHH)	109.4717	0.031	3	109.4717	0.001	3	109.4836	0.001	15	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	H(CCHH)	109.4933	0.041	3	109.4933	0.002	3	109.4836	0.001	15	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	H(CCHH)	109.4955	0.005	2	109.4955	0.000	2	109.4836	0.001	15	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]S[5]S)(CH3)(CCO)(OH)	H(CCHH)	109.4807	0.054	3	109.4807	0.003	3	109.4836	0.001	15	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:S-2:	C-4:	C(CC[5]CS)(H)3	C(C[5]N[5]S[5]H)(CH3)(CHH)(SRe)	H(CCHH)	C(CC[5]CS)(H)3	C(C[5]N[5]S[5]H)(CH3)(CHH)(SRe)	H(CCHH)	109.9560	6.365	3	109.9560	40.508	3	109.9560	40.508	3	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-3:O-2:	C-4:	C(CC[6,6]CO)(H)3	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	H(CCHH)	C(CC[6,6]CO)(H)3	C(C[6,6]C[6,6]2H)(CH3)(COO)(OH)	H(CCHH)	109.4640	0.045	4	109.4640	0.002	4	109.4640	0.002	4	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]N[6]H)(CH3)(CCO)(OH)	H(CCHH)	109.5627	0.732	3	109.5627	0.536	3	109.4936	0.057	21	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCC)(OH)	H(CCHH)	109.4997	0.065	7	109.4997	0.004	7	109.4936	0.057	21	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)(CCH)(OH)	H(CCHH)	109.4709	0.045	11	109.4709	0.002	11	109.4936	0.057	21	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:O-2:	C-4:	C(CCOP)(H)3	C(PCOO)(CH3)(CNO)(OH)	H(CCHH)	C(CCOP)(H)3	C(PCOO)(CH3)(CNO)(OH)	H(CCHH)	110.2530	1.835	3	110.2530	3.368	3	110.0643	2.302	6	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:O-2:	C-4:	C(CCOP)(H)3	C(PCOO)(CH3)(COO)(OH)	H(CCHH)	C(CCOP)(H)3	C(PCOO)(CH3)(COO)(OH)	H(CCHH)	109.8757	1.510	3	109.8757	2.280	3	110.0643	2.302	6	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:2:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-3:O-2:	C-4:	C(CSiCO)(H)3	C(SiC3)(CH3)(COO)(OH)	H(CCHH)	C(CSiCO)(H)3	C(SiC3)(CH3)(COO)(OH)	H(CCHH)	109.4674	0.035	5	109.4674	0.001	5	109.4674	0.001	5	109.4782	4.164	665	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CC3)(CH3)(CHN)2	H(CCHH)	C(CC3)(H)3	C(CC3)(CH3)(CHN)2	H(CCHH)	109.4447	0.646	3	109.4447	0.417	3	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)(CCC)(COO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)(CCC)(COO)	H(CCHH)	109.4690	0.053	3	109.4690	0.003	3	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)(CCH)(CCO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)(CCH)(CCO)	H(CCHH)	109.4360	0.020	3	109.4360	0.000	3	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)(CCO)(COO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)(CCO)(COO)	H(CCHH)	109.4750	0.008	3	109.4750	0.000	3	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)(CNO)(COO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)(CNO)(COO)	H(CCHH)	110.3983	1.492	3	110.3983	2.225	3	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)(COO)2	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)(COO)2	H(CCHH)	109.4664	0.456	5	109.4664	0.208	5	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CH3)(CCO)(COO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CH3)(CCO)(COO)	H(CCHH)	109.4555	0.006	2	109.4555	0.000	2	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CH3)(COO)(COS)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CH3)(COO)(COS)	H(CCHH)	110.0933	1.396	3	110.0933	1.950	3	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CCC)(CHH)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCC)(CHH)	H(CCHH)	104.2427	6.337	6	104.2427	40.159	6	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CCH)(CCO)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCH)(CCO)	H(CCHH)	109.4695	0.032	44	109.4695	0.001	44	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CCH)(CNO)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCH)(CNO)	H(CCHH)	109.4697	0.009	3	109.4697	0.000	3	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CCH)(COO)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCH)(COO)	H(CCHH)	109.4653	0.036	12	109.4653	0.001	12	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CCO)(CNO)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCO)(CNO)	H(CCHH)	109.4600	0.035	4	109.4600	0.001	4	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CCO)(COO)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCO)(COO)	H(CCHH)	109.4864	0.143	9	109.4864	0.020	9	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CCO)2	H(CCHH)	C(CC3)(H)3	C(CH3)2(CCO)2	H(CCHH)	109.4829	0.019	11	109.4829	0.000	11	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CHH)(COO)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CHH)(COO)	H(CCHH)	106.9926	9.677	24	106.9926	93.644	24	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CNO)(COO)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CNO)(COO)	H(CCHH)	109.4729	0.054	8	109.4729	0.003	8	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CNO)(COS)	H(CCHH)	C(CC3)(H)3	C(CH3)2(CNO)(COS)	H(CCHH)	109.4470	0.040	4	109.4470	0.002	4	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(CNO)2	H(CCHH)	C(CC3)(H)3	C(CH3)2(CNO)2	H(CCHH)	109.4751	0.042	56	109.4751	0.002	56	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CH3)2(COO)2	H(CCHH)	C(CC3)(H)3	C(CH3)2(COO)2	H(CCHH)	109.3021	1.256	17	109.3021	1.578	17	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(H)3	C(CSiHH)(CH3)(COO)2	H(CCHH)	C(CC3)(H)3	C(CSiHH)(CH3)(COO)2	H(CCHH)	109.4744	0.016	9	109.4744	0.000	9	109.0872	11.566	232	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CCCH)(CH3)(CNO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CH3)(CNO)(NCH)	H(CCHH)	109.4853	0.033	22	109.4853	0.001	22	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CCCH)(CH3)(CNO)(NHH)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CH3)(CNO)(NHH)	H(CCHH)	109.4500	0.008	3	109.4500	0.000	3	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NCH)	H(CCHH)	109.4107	0.008	3	109.4107	0.000	3	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NOO)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NOO)	H(CCHH)	109.4447	0.029	3	109.4447	0.001	3	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]CH)(CH3)(CHO)(NCN)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]CH)(CH3)(CHO)(NCN)	H(CCHH)	109.4463	0.057	3	109.4463	0.003	3	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]CH)(CH3)(COO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]CH)(CH3)(COO)(NCH)	H(CCHH)	109.5463	0.921	9	109.5463	0.848	9	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]HH)(CH3)(CNO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HH)(CH3)(CNO)(NCH)	H(CCHH)	108.1138	3.755	9	108.1138	14.101	9	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]HN)(CH3)(COO)(NOO)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HN)(CH3)(COO)(NOO)	H(CCHH)	110.0518	1.675	6	110.0518	2.806	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]HO)(CH3)(CCO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HO)(CH3)(CCO)(NCH)	H(CCHH)	109.9760	2.608	3	109.9760	6.801	3	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CCC)(NCO)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CCC)(NCO)	H(CCHH)	109.5364	0.077	5	109.5364	0.006	5	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CCH)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CCH)(NCH)	H(CCHH)	109.4410	0.025	6	109.4410	0.001	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CCN)(NHO)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CCN)(NHO)	H(CCHH)	109.4650	0.042	6	109.4650	0.002	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CHH)(NNO)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CHH)(NNO)	H(CCHH)	109.7122	4.954	6	109.7122	24.545	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CHH)(NPS)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CHH)(NPS)	H(CCHH)	109.4085	3.321	6	109.4085	11.029	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CNO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CNO)(NCH)	H(CCHH)	109.5324	0.551	940	109.5324	0.303	940	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CNO)(NHH)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CNO)(NHH)	H(CCHH)	109.4840	0.021	7	109.4840	0.000	7	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CNO)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CNO)(NHS)	H(CCHH)	109.4685	0.028	56	109.4685	0.001	56	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(CNO)(NOO)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(CNO)(NOO)	H(CCHH)	109.4798	0.032	6	109.4798	0.001	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NCH)	H(CCHH)	109.5470	0.653	280	109.5470	0.427	280	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NCO)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NCO)	H(CCHH)	109.4860	0.024	3	109.4860	0.001	3	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NCS)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NCS)	H(CCHH)	109.8227	1.417	6	109.8227	2.009	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NHN)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NHN)	H(CCHH)	109.1515	1.518	6	109.1515	2.305	6	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(COO)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COO)(NHS)	H(CCHH)	109.4604	0.038	36	109.4604	0.001	36	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CH3)2(COS)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(COS)(NCH)	H(CCHH)	109.4731	0.029	9	109.4731	0.001	9	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)(COO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)(COO)(NCH)	H(CCHH)	109.4670	0.034	5	109.4670	0.001	5	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)(COO)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)(COO)(NHS)	H(CCHH)	109.4590	0.000	1	109.4590	0.000	1	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(H)3	C(CSiHH)(CH3)(COO)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CSiHH)(CH3)(COO)(NCH)	H(CCHH)	109.4660	0.034	20	109.4660	0.001	20	109.5211	0.528	1465	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:N-3:	C-4:	C(CCNN)(H)3	C(CHHO)(CH3)(NOO)2	H(CCHH)	C(CCNN)(H)3	C(CHHO)(CH3)(NOO)2	H(CCHH)	109.2572	1.068	5	109.2572	1.141	5	109.2572	1.141	5	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-3:C-3:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4,6]C[4]H)(CH3)(CHH)2	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4,6]C[4]H)(CH3)(CHH)2	H(CCHH)	95.7151	9.244	3	95.7151	85.455	3	95.7151	85.455	3	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	H(CCHH)	109.4548	0.047	5	109.4548	0.002	5	109.4518	0.002	8	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]H)(CH3)(COO)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]H)(CH3)(COO)2	H(CCHH)	109.4467	0.041	3	109.4467	0.002	3	109.4518	0.002	8	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:N-3:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	H(CCHH)	109.4730	0.010	2	109.4730	0.000	2	109.6868	0.257	6	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:N-3:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	H(CCHH)	109.4730	0.000	1	109.4730	0.000	1	109.6868	0.257	6	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-3:N-3:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	H(CCHH)	109.9007	0.710	3	109.9007	0.504	3	109.6868	0.257	6	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:N-3:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)(COO)(NCH)	H(CCHH)	109.4755	0.011	2	109.4755	0.000	2	109.4755	0.000	2	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:3:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-3:C-3:	C-4:	C(CCCP)(H)3	C(PClBC)(CH3)(CHH)2	H(CCHH)	C(CCCP)(H)3	C(PClBC)(CH3)(CHH)2	H(CCHH)	109.4365	0.032	2	109.4365	0.001	2	109.4365	0.001	2	109.4379	2.454	1723	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(H)3	C(CHHO)2(NCoC)(CH3)	H(CCHH)	C(CCCN)(H)3	C(CHHO)2(NCoC)(CH3)	H(CCHH)	109.4926	0.037	8	109.4926	0.001	8	109.4685	0.003	40	109.4685	0.003	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(H)3	C(CHHO)2(NCuC)(CH3)	H(CCHH)	C(CCCN)(H)3	C(CHHO)2(NCuC)(CH3)	H(CCHH)	109.4963	0.049	6	109.4963	0.002	6	109.4685	0.003	40	109.4685	0.003	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(H)3	C(CHHO)2(NNiC)(CH3)	H(CCHH)	C(CCCN)(H)3	C(CHHO)2(NNiC)(CH3)	H(CCHH)	109.4590	0.051	23	109.4590	0.003	23	109.4685	0.003	40	109.4685	0.003	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:3:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(H)3	C(CHHO)2(NSnC)(CH3)	H(CCHH)	C(CCCN)(H)3	C(CHHO)2(NSnC)(CH3)	H(CCHH)	109.4213	0.060	3	109.4213	0.004	3	109.4685	0.003	40	109.4685	0.003	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(Br)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CBrCH)	C(CClCC)(Br)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CBrCH)	109.3428	0.047	6	109.3428	0.002	6	109.3428	0.002	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(Cl)(H)2	C(CC[6a]HH)(CClHH)2(H)	H(CClCH)	C(CCCH)(Cl)(H)2	C(CC[6a]HH)(CClHH)2(H)	H(CClCH)	109.1063	0.057	4	109.1063	0.003	4	109.2867	0.031	12	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(Cl)(H)2	C(CClHH)2(CCCH)(H)	H(CClCH)	C(CCCH)(Cl)(H)2	C(CClHH)2(CCCH)(H)	H(CClCH)	109.3769	0.138	8	109.3769	0.019	8	109.2867	0.031	12	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:F-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(F)(H)2	C(CCHH)(CFHH)(CH3)(H)	H(CCFH)	C(CCCH)(F)(H)2	C(CCHH)(CFHH)(CH3)(H)	H(CCFH)	109.6740	0.059	2	109.6740	0.004	2	109.6740	0.004	2	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:C-4:H-1:	C-4:	C(CAsCH)(H)3	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHH)	C(CAsCH)(H)3	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHH)	109.4804	0.035	5	109.4804	0.001	5	109.4804	0.001	5	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(CBCH)(H)3	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	H(CCHH)	C(CBCH)(H)3	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	H(CCHH)	109.4630	0.040	3	109.4630	0.002	3	109.4630	0.002	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	B-4:P-4:C-4:H-1:	C-4:	C(CBHP)(H)3	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	H(CCHH)	C(CBHP)(H)3	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	H(CCHH)	109.4543	0.049	3	109.4543	0.002	3	109.4543	0.002	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(H)3	C(CCHH)(CH3)2(Br)	H(CCHH)	C(CBrCC)(H)3	C(CCHH)(CH3)2(Br)	H(CCHH)	109.4819	0.051	10	109.4819	0.003	10	109.3916	2.284	25	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(H)3	C(CCHO)(CH3)2(Br)	H(CCHH)	C(CBrCC)(H)3	C(CCHO)(CH3)2(Br)	H(CCHH)	109.4686	0.032	5	109.4686	0.001	5	109.3916	2.284	25	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(H)3	C(CC[6a]HO)(CHHN)(CH3)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CC[6a]HO)(CHHN)(CH3)(Br)	H(CCHH)	109.4565	0.013	4	109.4565	0.000	4	109.3916	2.284	25	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(H)3	C(CClCH)(CCHH)(CH3)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CClCH)(CCHH)(CH3)(Br)	H(CCHH)	109.4613	0.028	3	109.4613	0.001	3	109.3916	2.284	25	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(H)3	C(CClCH)(CCHO)(CH3)(Br)	H(CCHH)	C(CBrCC)(H)3	C(CClCH)(CCHO)(CH3)(Br)	H(CCHH)	108.8063	5.178	3	108.8063	26.812	3	109.3916	2.284	25	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-1:	C-4:	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(C)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(C)	H(CCHH)	109.4778	0.093	6	109.4778	0.009	6	109.4778	0.009	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(H)3	C(CBrCH)(CHHO)(CH3)(Cl)	H(CCHH)	C(CClCC)(H)3	C(CBrCH)(CHHO)(CH3)(Cl)	H(CCHH)	109.4740	0.034	9	109.4740	0.001	9	109.7420	0.850	54	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(H)3	C(CCHH)(CH3)2(Cl)	H(CCHH)	C(CClCC)(H)3	C(CCHH)(CH3)2(Cl)	H(CCHH)	110.3015	1.466	18	110.3015	2.151	18	109.7420	0.850	54	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(H)3	C(CCHN)(CH3)2(Cl)	H(CCHH)	C(CClCC)(H)3	C(CCHN)(CH3)2(Cl)	H(CCHH)	109.4585	0.039	20	109.4585	0.002	20	109.7420	0.850	54	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(H)3	C(CC[4]HH)(CCHH)(CH3)(Cl)	H(CCHH)	C(CClCC)(H)3	C(CC[4]HH)(CCHH)(CH3)(Cl)	H(CCHH)	109.4463	0.031	4	109.4463	0.001	4	109.7420	0.850	54	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(H)3	C(CC[5]HO)(CCHH)(CH3)(Cl)	H(CCHH)	C(CClCC)(H)3	C(CC[5]HO)(CCHH)(CH3)(Cl)	H(CCHH)	109.4723	0.020	3	109.4723	0.000	3	109.7420	0.850	54	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CCCF)(H)3	C(CCCH)(CH3)2(F)	H(CCHH)	C(CCCF)(H)3	C(CCCH)(CH3)2(F)	H(CCHH)	109.4608	0.033	5	109.4608	0.001	5	110.0264	1.634	21	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CCCF)(H)3	C(CCHO)(CH3)2(F)	H(CCHH)	C(CCCF)(H)3	C(CCHO)(CH3)2(F)	H(CCHH)	110.4450	1.589	12	110.4450	2.524	12	110.0264	1.634	21	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CCCF)(H)3	C(CHHN)(CH3)2(F)	H(CCHH)	C(CCCF)(H)3	C(CHHN)(CH3)2(F)	H(CCHH)	109.4778	0.019	4	109.4778	0.000	4	110.0264	1.634	21	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CAlHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CAlHH)(CH3)2(H)	H(CCHH)	109.4811	1.017	374	109.4811	1.035	374	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CB[4]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CB[4]HH)(CH3)2(H)	H(CCHH)	109.4783	0.020	4	109.4783	0.000	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CB[5]CH)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CB[5]CH)(CCCH)(CH3)(H)	H(CCHH)	109.4477	0.034	3	109.4477	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CB[5]C[6]H)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CB[5]C[6]H)(CCCH)(CH3)(H)	H(CCHH)	112.4070	1.215	6	112.4070	1.475	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CB[5]HN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CB[5]HN)(CH3)2(H)	H(CCHH)	109.4822	0.019	4	109.4822	0.000	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CBeHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CBeHH)(CH3)2(H)	H(CCHH)	109.4668	0.021	4	109.4668	0.000	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CBrCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CBrCH)(CCHH)(CH3)(H)	H(CCHH)	109.7653	1.214	6	109.7653	1.475	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CBrCH)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CBrCH)2(CH3)(H)	H(CCHH)	109.4480	0.203	3	109.4480	0.041	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC3)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC3)(CH3)2(H)	H(CCHH)	109.4651	0.029	29	109.4651	0.001	29	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCF)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCCF)(CH3)2(H)	H(CCHH)	109.4974	0.028	5	109.4974	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CCCO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CCCO)(CH3)(H)	H(CCHH)	109.3616	0.105	5	109.3616	0.011	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CCHH)(CH3)(H)	H(CCHH)	109.4690	0.038	8	109.4690	0.001	8	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CCHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CCHN)(CH3)(H)	H(CCHH)	109.4463	0.411	3	109.4463	0.169	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	H(CCHH)	109.4679	0.020	21	109.4679	0.000	21	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	H(CCHH)	109.5280	1.071	349	109.5280	1.148	349	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CHHN)(CH3)(H)	H(CCHH)	109.4730	0.000	1	109.4730	0.000	1	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)(CHHO)(CH3)(H)	H(CCHH)	109.4540	0.014	3	109.4540	0.000	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCH)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCH)2(CH3)(H)	H(CCHH)	110.0798	0.368	9	110.0798	0.136	9	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCN)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCN)(CCHH)(CH3)(H)	H(CCHH)	109.4754	0.028	9	109.4754	0.001	9	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	H(CCHH)	109.2186	1.403	69	109.2186	1.969	69	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCO)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCO)(CCHH)(CH3)(H)	H(CCHH)	109.4834	0.030	5	109.4834	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	H(CCHH)	109.7611	0.894	55	109.7611	0.800	55	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCO)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCCO)(CHHN)(CH3)(H)	H(CCHH)	109.4800	0.034	3	109.4800	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCCS)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCCS)(CH3)2(H)	H(CCHH)	109.4882	0.037	5	109.4882	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	H(CCHH)	109.6328	0.886	319	109.6328	0.784	319	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	H(CCHH)	109.5660	0.655	155	109.5660	0.429	155	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CCHS)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CCHS)(CH3)(H)	H(CCHH)	109.4810	0.059	3	109.4810	0.003	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CCl3)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CCl3)(CH3)(H)	H(CCHH)	109.4560	0.032	4	109.4560	0.001	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CF3)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CF3)(CH3)(H)	H(CCHH)	109.4682	0.032	6	109.4682	0.001	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CFHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CFHH)(CH3)(H)	H(CCHH)	109.4837	0.030	3	109.4837	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	H(CCHH)	109.5267	0.809	2966	109.5267	0.655	2966	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	H(CCHH)	109.4750	0.081	22	109.4750	0.007	22	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	H(CCHH)	109.4610	0.113	44	109.4610	0.013	44	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)(CHHP)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)(CHHP)(CH3)(H)	H(CCHH)	109.4527	0.031	11	109.4527	0.001	11	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	H(CCHH)	109.7085	0.837	111	109.7085	0.700	111	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHN)(CF3)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHN)(CF3)(CH3)(H)	H(CCHH)	109.4633	0.035	3	109.4633	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	H(CCHH)	109.5104	0.786	1881	109.5104	0.617	1881	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CCHS)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CCHS)(CH3)(H)	H(CCHH)	109.5050	0.038	7	109.5050	0.001	7	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	H(CCHH)	109.7020	1.284	279	109.7020	1.648	279	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CHHN)(CH3)(H)	H(CCHH)	109.4671	0.055	17	109.4671	0.003	17	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	H(CCHH)	109.8709	0.888	36	109.8709	0.789	36	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	H(CCHH)	109.5084	0.333	165	109.5084	0.111	165	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCHS)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCHS)(CH3)2(H)	H(CCHH)	109.4519	1.706	64	109.4519	2.910	64	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCSS)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCSS)(CH3)2(H)	H(CCHH)	111.8838	1.313	12	111.8838	1.725	12	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3,5]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3,5]CH)(CH3)2(H)	H(CCHH)	109.4703	0.020	3	109.4703	0.000	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3,6]HH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3,6]HH)(CCHH)(CH3)(H)	H(CCHH)	109.4983	0.025	6	109.4983	0.001	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]CH)(CH3)2(H)	H(CCHH)	109.4617	0.041	10	109.4617	0.002	10	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]CO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]CO)(CH3)2(H)	H(CCHH)	109.4721	0.030	15	109.4721	0.001	15	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]HN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]HN)(CH3)2(H)	H(CCHH)	109.2170	1.207	6	109.2170	1.456	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]HO)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]HO)(CCHO)(CH3)(H)	H(CCHH)	109.4948	0.051	5	109.4948	0.003	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3]HO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3]HO)(CH3)2(H)	H(CCHH)	109.4695	0.036	18	109.4695	0.001	18	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	H(CCHH)	109.4605	0.065	20	109.4605	0.004	20	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3x6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3x6]HH)(CH3)2(H)	H(CCHH)	109.4737	0.015	3	109.4737	0.000	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[3x6]HN)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[3x6]HN)(CCHH)(CH3)(H)	H(CCHH)	113.6147	3.934	3	113.6147	15.473	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[4,5]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[4,5]HH)(CH3)2(H)	H(CCHH)	108.1414	2.555	15	108.1414	6.529	15	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[4,5]HO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[4,5]HO)(CH3)2(H)	H(CCHH)	109.4686	0.024	5	109.4686	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[4,6]HO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[4,6]HO)(CH3)2(H)	H(CCHH)	109.4857	0.036	4	109.4857	0.001	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[4]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[4]HH)(CH3)2(H)	H(CCHH)	109.4261	0.134	29	109.4261	0.018	29	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[4]HN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[4]HN)(CH3)2(H)	H(CCHH)	109.4690	0.034	5	109.4690	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5,5]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5,5]HH)(CH3)2(H)	H(CCHH)	109.4742	0.034	14	109.4742	0.001	14	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5,6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5,6]HH)(CH3)2(H)	H(CCHH)	109.4633	0.225	8	109.4633	0.050	8	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]BrC)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]BrC)(CCHH)(CH3)(H)	H(CCHH)	109.4500	0.015	3	109.4500	0.000	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]CC)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]CC)(CH3)2(H)	H(CCHH)	109.4779	0.034	9	109.4779	0.001	9	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	H(CCHH)	109.4939	0.084	31	109.4939	0.007	31	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]CoC)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]CoC)(CH3)2(H)	H(CCHH)	109.4502	0.035	4	109.4502	0.001	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]GdO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]GdO)(CH3)2(H)	H(CCHH)	109.4829	0.056	8	109.4829	0.003	8	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HH)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HH)(CCCH)(CH3)(H)	H(CCHH)	109.5115	0.011	2	109.5115	0.000	2	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HH)(CCCO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HH)(CCCO)(CH3)(H)	H(CCHH)	109.4425	0.030	2	109.4425	0.001	2	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCHH)	109.3713	0.986	12	109.3713	0.971	12	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	H(CCHH)	109.4881	0.342	341	109.4881	0.117	341	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HN)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HN)(CCHH)(CH3)(H)	H(CCHH)	109.4732	0.060	17	109.4732	0.004	17	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HN)(CH3)2(H)	H(CCHH)	109.4865	0.034	21	109.4865	0.001	21	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CCCH)(CH3)(H)	H(CCHH)	109.5020	0.033	2	109.5020	0.001	2	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CCHH)(CH3)(H)	H(CCHH)	109.4879	0.051	10	109.4879	0.003	10	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CCHO)(CH3)(H)	H(CCHH)	109.4867	0.029	3	109.4867	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CH3)2(H)	H(CCHH)	109.6338	0.877	33	109.6338	0.768	33	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]HO)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]HO)(CHHO)(CH3)(H)	H(CCHH)	112.0460	1.625	3	112.0460	2.642	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]TbO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]TbO)(CH3)2(H)	H(CCHH)	109.4747	0.042	10	109.4747	0.002	10	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5]TmO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5]TmO)(CH3)2(H)	H(CCHH)	109.4818	0.055	11	109.4818	0.003	11	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]CH)(CH3)2(H)	H(CCHH)	109.4588	0.035	12	109.4588	0.001	12	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]CN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]CN)(CH3)2(H)	H(CCHH)	109.5104	0.071	5	109.5104	0.005	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	H(CCHH)	109.4763	0.030	3	109.4763	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]HH)(CH3)2(H)	H(CCHH)	109.4745	0.040	77	109.4745	0.002	77	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]HH)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]HH)(CHHO)(CH3)(H)	H(CCHH)	109.4367	0.056	3	109.4367	0.003	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]HN)(CCHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]HN)(CCHN)(CH3)(H)	H(CCHH)	109.4881	0.017	11	109.4881	0.000	11	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]HN)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]HN)(CCHO)(CH3)(H)	H(CCHH)	109.4550	0.042	3	109.4550	0.002	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	H(CCHH)	109.4696	0.040	30	109.4696	0.002	30	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[5a]HN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[5a]HN)(CH3)2(H)	H(CCHH)	109.5025	0.223	55	109.5025	0.050	55	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]CH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]CH)(CCHH)(CH3)(H)	H(CCHH)	110.6850	0.776	3	110.6850	0.602	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]CH)(CH3)2(H)	H(CCHH)	109.4664	0.036	39	109.4664	0.001	39	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HH)(CCHH)(CH3)(H)	H(CCHH)	109.4670	0.031	9	109.4670	0.001	9	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HH)(CCHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HH)(CCHN)(CH3)(H)	H(CCHH)	109.4414	0.051	9	109.4414	0.003	9	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	H(CCHH)	109.5362	0.486	193	109.5362	0.236	193	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HN)(CH3)2(H)	H(CCHH)	109.4698	0.035	5	109.4698	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HO)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HO)(CCHO)(CH3)(H)	H(CCHH)	110.6577	0.352	3	110.6577	0.124	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	H(CCHH)	109.7936	0.959	54	109.7936	0.920	54	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6]HO)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6]HO)(CHHO)(CH3)(H)	H(CCHH)	109.5013	0.029	3	109.5013	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]2C)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]2C)(CH3)2(H)	H(CCHH)	109.4830	0.033	6	109.4830	0.001	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]2H)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]2H)(CH3)2(H)	H(CCHH)	109.3872	4.035	6	109.3872	16.280	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]2O)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]2O)(CCHH)(CH3)(H)	H(CCHH)	109.4587	0.047	6	109.4587	0.002	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CC)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CC)(CCHH)(CH3)(H)	H(CCHH)	109.4893	0.024	3	109.4893	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CC)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CC)(CH3)2(H)	H(CCHH)	109.4758	0.034	4	109.4758	0.001	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CCCH)(CH3)(H)	H(CCHH)	110.3400	0.781	3	110.3400	0.610	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CCHH)	109.4710	0.013	8	109.4710	0.000	8	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	H(CCHH)	109.4660	0.030	3	109.4660	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	H(CCHH)	109.4681	0.038	69	109.4681	0.001	69	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CH)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CH)(CHHN)(CH3)(H)	H(CCHH)	109.4698	0.032	23	109.4698	0.001	23	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CO)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CO)(CCHH)(CH3)(H)	H(CCHH)	109.5153	0.044	3	109.5153	0.002	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]CO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)2(H)	H(CCHH)	109.4656	0.036	17	109.4656	0.001	17	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]C[5]O)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]C[5]O)(CH3)2(H)	H(CCHH)	109.4296	0.274	12	109.4296	0.075	12	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]C[6]H)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]C[6]H)(CH3)2(H)	H(CCHH)	109.4938	0.042	12	109.4938	0.002	12	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CCHH)	110.2802	1.540	21	110.2802	2.373	21	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CCCO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CCCO)(CH3)(H)	H(CCHH)	109.4662	0.035	10	109.4662	0.001	10	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CCHH)	109.5012	0.058	6	109.5012	0.003	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCHH)	109.4707	0.032	15	109.4707	0.001	15	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	H(CCHH)	109.4280	1.572	325	109.4280	2.471	325	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CHHN)(CH3)(H)	H(CCHH)	109.4217	0.107	6	109.4217	0.011	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	H(CCHH)	109.4638	0.046	6	109.4638	0.002	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	H(CCHH)	109.7444	1.031	57	109.7444	1.063	57	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)(CHHN)(CH3)(H)	H(CCHH)	109.4390	0.012	3	109.4390	0.000	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HN)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HN)2(CH3)(H)	H(CCHH)	109.4693	0.018	4	109.4693	0.000	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CCCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CCCH)(CH3)(H)	H(CCHH)	109.3557	0.371	3	109.3557	0.137	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CCCO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CCCO)(CH3)(H)	H(CCHH)	109.4650	0.021	5	109.4650	0.000	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CCHH)	109.4738	0.041	6	109.4738	0.002	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CCHH)	109.4820	0.023	5	109.4820	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	H(CCHH)	112.1820	2.122	3	112.1820	4.505	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	H(CCHH)	109.4591	0.033	30	109.4591	0.001	30	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CHHN)(CH3)(H)	H(CCHH)	109.5147	0.031	3	109.5147	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	H(CCHH)	109.4440	0.023	3	109.4440	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]HO)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]HO)2(CH3)(H)	H(CCHH)	110.1233	3.514	3	110.1233	12.346	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]OO)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]OO)(CCHH)(CH3)(H)	H(CCHH)	109.4742	0.044	4	109.4742	0.002	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CC[6a]SiH)(CCHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CC[6a]SiH)(CCHO)(CH3)(H)	H(CCHH)	109.4697	0.018	3	109.4697	0.000	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCl2C)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCl2C)(CH3)2(H)	H(CCHH)	109.4785	0.038	4	109.4785	0.001	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CClCH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CClCH)(CH3)2(H)	H(CCHH)	109.4640	0.040	10	109.4640	0.002	10	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCoHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCoHH)(CH3)2(H)	H(CCHH)	111.2080	1.666	6	111.2080	2.776	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CCrHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CCrHH)(CH3)2(H)	H(CCHH)	109.4518	0.062	16	109.4518	0.004	16	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CFeHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CFeHH)(CH3)2(H)	H(CCHH)	109.4640	0.028	5	109.4640	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CGeHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CGeHH)(CH3)2(H)	H(CCHH)	109.4655	0.050	15	109.4655	0.003	15	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	H(CCHH)	109.4966	0.601	734	109.4966	0.362	734	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHHN)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHN)2(CH3)(H)	H(CCHH)	109.4609	0.046	10	109.4609	0.002	10	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	H(CCHH)	109.4405	0.647	574	109.4405	0.419	574	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHHO)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CHHO)2(CH3)(H)	H(CCHH)	108.2628	7.725	3	108.2628	59.675	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	H(CCHH)	109.4498	0.140	72	109.4498	0.020	72	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHHS)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CHHS)(CH3)2(H)	H(CCHH)	109.4668	0.037	34	109.4668	0.001	34	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHNP)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CHNP)(CH3)2(H)	H(CCHH)	109.4954	0.057	5	109.4954	0.003	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHOO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CHOO)(CH3)2(H)	H(CCHH)	109.4576	0.035	14	109.4576	0.001	14	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CHOP)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CHOP)(CH3)2(H)	H(CCHH)	109.4715	0.042	4	109.4715	0.002	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CIn[6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CIn[6]HH)(CH3)2(H)	H(CCHH)	109.4698	0.045	13	109.4698	0.002	13	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CMgOO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CMgOO)(CH3)2(H)	H(CCHH)	109.5055	0.066	6	109.5055	0.004	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CMnOO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CMnOO)(CH3)2(H)	H(CCHH)	109.4696	0.024	5	109.4696	0.001	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CMoHO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CMoHO)(CH3)2(H)	H(CCHH)	109.4454	0.076	7	109.4454	0.006	7	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CMoSiH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CMoSiH)(CH3)2(H)	H(CCHH)	109.5062	0.019	5	109.5062	0.000	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5,5]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5,5]HH)(CH3)2(H)	H(CCHH)	109.4743	0.018	3	109.4743	0.000	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]CH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]CH)(CCHH)(CH3)(H)	H(CCHH)	109.4830	0.037	8	109.4830	0.001	8	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	H(CCHH)	109.4746	0.033	44	109.4746	0.001	44	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]CH)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]CH)(CHHO)(CH3)(H)	H(CCHH)	109.4520	0.061	3	109.4520	0.004	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]HH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]HH)(CCHH)(CH3)(H)	H(CCHH)	109.4777	0.039	15	109.4777	0.002	15	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	H(CCHH)	109.4880	0.217	583	109.4880	0.047	583	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5a]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5a]CH)(CH3)2(H)	H(CCHH)	109.4706	0.037	13	109.4706	0.001	13	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5a]C[5]H)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5a]C[5]H)(CH3)2(H)	H(CCHH)	109.4423	0.056	6	109.4423	0.003	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5a]HH)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5a]HH)(CCHH)(CH3)(H)	H(CCHH)	109.4787	0.034	11	109.4787	0.001	11	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	H(CCHH)	109.5780	0.432	118	109.5780	0.187	118	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[6]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[6]CH)(CH3)2(H)	H(CCHH)	109.7641	1.458	49	109.7641	2.127	49	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CN[6]HH)(CH3)2(H)	H(CCHH)	109.4735	0.039	31	109.4735	0.002	31	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CN[6]HH)(CHHN)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CN[6]HH)(CHHN)(CH3)(H)	H(CCHH)	109.4488	0.035	8	109.4488	0.001	8	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CNiCH)(CCFF)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CNiCH)(CCFF)(CH3)(H)	H(CCHH)	109.4653	0.048	3	109.4653	0.002	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CNiHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CNiHH)(CH3)2(H)	H(CCHH)	109.4980	0.018	4	109.4980	0.000	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CP[4]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CP[4]HH)(CH3)2(H)	H(CCHH)	109.5038	0.092	9	109.5038	0.008	9	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CP[6,6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CP[6,6]HH)(CH3)2(H)	H(CCHH)	109.4672	0.033	28	109.4672	0.001	28	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CP[6]HH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CP[6]HH)(CH3)2(H)	H(CCHH)	109.4798	0.045	6	109.4798	0.002	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CPdHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CPdHH)(CH3)2(H)	H(CCHH)	109.4735	0.029	6	109.4735	0.001	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CRuCC)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CRuCC)(CH3)2(H)	H(CCHH)	109.4772	0.058	11	109.4772	0.003	11	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CRuCH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CRuCH)(CH3)2(H)	H(CCHH)	109.4534	0.053	8	109.4534	0.003	8	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CS[6]CH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CS[6]CH)(CH3)2(H)	H(CCHH)	109.4786	0.017	5	109.4786	0.000	5	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CSeHH)2(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CSeHH)2(CH3)(H)	H(CCHH)	109.4635	0.049	2	109.4635	0.002	2	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CSiCC)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CSiCC)(CH3)2(H)	H(CCHH)	109.4723	0.033	11	109.4723	0.001	11	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	H(CCHH)	109.4602	0.375	145	109.4602	0.141	145	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CSiHW)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CSiHW)(CH3)2(H)	H(CCHH)	110.2698	3.052	6	110.2698	9.315	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CSnCH)(CHHO)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CSnCH)(CHHO)(CH3)(H)	H(CCHH)	109.4820	0.033	3	109.4820	0.001	3	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CTa2C)(CCHH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CTa2C)(CCHH)(CH3)(H)	H(CCHH)	109.4748	0.030	6	109.4748	0.001	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CTa2C)(CTaCH)(CH3)(H)	H(CCHH)	C(CCCH)(H)3	C(CTa2C)(CTaCH)(CH3)(H)	H(CCHH)	109.4655	0.012	2	109.4655	0.000	2	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CTaHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CTaHH)(CH3)2(H)	H(CCHH)	109.4970	0.013	4	109.4970	0.000	4	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CTiHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CTiHH)(CH3)2(H)	H(CCHH)	109.4712	0.035	6	109.4712	0.001	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CZrHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CZrHH)(CH3)2(H)	H(CCHH)	109.4721	0.044	10	109.4721	0.002	10	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CZrNN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CZrNN)(CH3)2(H)	H(CCHH)	109.4717	0.054	6	109.4717	0.003	6	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CZrNO)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CZrNO)(CH3)2(H)	H(CCHH)	109.4853	0.061	19	109.4853	0.004	19	109.5234	0.658	11729	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(H)3	C(CCCH)(CH3)2(O)	H(CCHH)	C(CCCO)(H)3	C(CCCH)(CH3)2(O)	H(CCHH)	109.4837	0.079	6	109.4837	0.006	6	109.7457	2.261	91	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(H)3	C(CCCO)(CH3)2(O)	H(CCHH)	C(CCCO)(H)3	C(CCCO)(CH3)2(O)	H(CCHH)	109.8628	1.782	64	109.8628	3.174	64	109.7457	2.261	91	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)2(O)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)2(O)	H(CCHH)	109.5023	0.066	6	109.5023	0.004	6	109.7457	2.261	91	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(H)3	C(CH3)3(O)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(O)	H(CCHH)	109.4487	0.186	15	109.4487	0.035	15	109.7457	2.261	91	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CC3)(CH3)(NC3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC3)(CH3)(NC3)(H)	H(CCHH)	109.4638	0.072	6	109.4638	0.005	6	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CCCH)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCCH)(CH3)(NH3)(H)	H(CCHH)	109.4552	0.025	6	109.4552	0.001	6	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(CH3)(NH3)(H)	H(CCHH)	109.4342	0.469	28	109.4342	0.220	28	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NH3)(H)	H(CCHH)	109.4845	0.028	2	109.4845	0.001	2	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	H(CCHH)	109.4869	2.007	34	109.4869	4.027	34	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NC3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NC3)(H)	H(CCHH)	109.4896	0.016	5	109.4896	0.000	5	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NH3)(H)	H(CCHH)	109.4940	0.021	2	109.4940	0.000	2	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NC3)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NC3)(H)	H(CCHH)	109.4786	0.056	16	109.4786	0.003	16	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CH3)2(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CH3)2(NH3)(H)	H(CCHH)	109.5564	1.166	83	109.5564	1.360	83	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(CH3)(NH3)(H)	H(CCHH)	109.4784	0.178	83	109.4784	0.032	83	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHO)(CH3)(NH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHO)(CH3)(NH3)(H)	H(CCHH)	109.4665	0.042	4	109.4665	0.002	4	109.4983	0.946	269	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(CCHP)(H)3	C(CBHH)(CH3)(PC3)(H)	H(CCHH)	C(CCHP)(H)3	C(CBHH)(CH3)(PC3)(H)	H(CCHH)	109.5017	0.036	3	109.5017	0.001	3	111.2350	12.791	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(CCHP)(H)3	C(CC[6a]HN)(CH3)(PO3)(H)	H(CCHH)	C(CCHP)(H)3	C(CC[6a]HN)(CH3)(PO3)(H)	H(CCHH)	109.4710	0.000	1	109.4710	0.000	1	111.2350	12.791	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(CCHP)(H)3	C(CH3)2(PC3)(H)	H(CCHH)	C(CCHP)(H)3	C(CH3)2(PC3)(H)	H(CCHH)	109.4609	0.034	8	109.4609	0.001	8	111.2350	12.791	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(CCHP)(H)3	C(CH3)2(PO3)(H)	H(CCHH)	C(CCHP)(H)3	C(CH3)2(PO3)(H)	H(CCHH)	114.7612	4.594	6	114.7612	21.105	6	111.2350	12.791	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(NCCH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(NCCH)(CH3)(H)	H(CCHH)	109.4742	0.058	4	109.4742	0.003	4	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CCHH)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CCHH)(NCHH)(CH3)(H)	H(CCHH)	109.4627	0.028	43	109.4627	0.001	43	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6]HO)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6]HO)(NCHH)(CH3)(H)	H(CCHH)	109.4832	0.062	5	109.4832	0.004	5	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	H(CCHH)	109.4905	0.040	2	109.4905	0.002	2	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HH)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HH)(NCHH)(CH3)(H)	H(CCHH)	109.8345	1.134	22	109.8345	1.286	22	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(NCCH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(NCCH)(CH3)(H)	H(CCHH)	109.4719	0.034	103	109.4719	0.001	103	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(NCHH)(CH3)(H)	H(CCHH)	109.7124	1.076	101	109.7124	1.159	101	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(NCoCC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(NCoCC)(CH3)(H)	H(CCHH)	109.4455	2.383	15	109.4455	5.678	15	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(NMoCC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(NMoCC)(CH3)(H)	H(CCHH)	109.4750	0.037	3	109.4750	0.001	3	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(NNiCC)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(NNiCC)(CH3)(H)	H(CCHH)	109.1681	1.960	18	109.1681	3.840	18	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CC[6a]HO)(NPdHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CC[6a]HO)(NPdHH)(CH3)(H)	H(CCHH)	109.4584	0.022	5	109.4584	0.000	5	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NCCH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NCCH)(CH3)(H)	H(CCHH)	109.4313	0.036	3	109.4313	0.001	3	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NCCV)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NCCV)(CH3)(H)	H(CCHH)	109.4485	0.036	2	109.4485	0.001	2	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NCHH)(CH3)(H)	H(CCHH)	109.4908	1.393	17	109.4908	1.941	17	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHN)(NHHV)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHN)(NHHV)(CH3)(H)	H(CCHH)	109.4815	0.042	6	109.4815	0.002	6	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CHHO)(NCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CHHO)(NCHH)(CH3)(H)	H(CCHH)	109.4568	0.038	17	109.4568	0.001	17	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CN[5]HH)(NCCH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[5]HH)(NCCH)(CH3)(H)	H(CCHH)	109.4327	0.041	3	109.4327	0.002	3	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(CN[6]HH)(NCCH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(CN[6]HH)(NCCH)(CH3)(H)	H(CCHH)	109.4673	0.031	32	109.4673	0.001	32	109.5361	0.819	401	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:P-4:H-1:	C-4:	C(CHNP)(H)3	C(CH3)(NH3)(PO3)(H)	H(CCHH)	C(CHNP)(H)3	C(CH3)(NH3)(PO3)(H)	H(CCHH)	109.4753	0.023	3	109.4753	0.001	3	109.4753	0.001	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(CC[6a]CH)(PSeOO)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(CC[6a]CH)(PSeOO)(CH3)(H)	H(CCHH)	109.4670	0.026	3	109.4670	0.001	3	109.4661	0.001	9	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(CC[6a]HH)(PSeOO)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(CC[6a]HH)(PSeOO)(CH3)(H)	H(CCHH)	109.4843	0.029	3	109.4843	0.001	3	109.4661	0.001	9	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(CIrHH)(PIrCC)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(CIrHH)(PIrCC)(CH3)(H)	H(CCHH)	109.4470	0.049	3	109.4470	0.002	3	109.4661	0.001	9	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:P-4:O-1:	C-4:	C(COPP)(H)3	C(CH3)(PO3)2(O)	H(CCHH)	C(COPP)(H)3	C(CH3)(PO3)2(O)	H(CCHH)	109.4850	0.029	3	109.4850	0.001	3	109.4850	0.001	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CCCH)(SNOO)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CCCH)(SNOO)(CH3)(H)	H(CCHH)	109.4693	0.011	3	109.4693	0.000	3	109.4643	0.001	20	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CCHN)(SCOO)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CCHN)(SCOO)(CH3)(H)	H(CCHH)	109.4470	0.017	3	109.4470	0.000	3	109.4643	0.001	20	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	H(CCHH)	109.4857	0.028	3	109.4857	0.001	3	109.4643	0.001	20	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	H(CCHH)	109.4803	0.045	3	109.4803	0.002	3	109.4643	0.001	20	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	H(CCHH)	109.4550	0.025	8	109.4550	0.001	8	109.4643	0.001	20	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,3,5]CH)(H)3	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(CH3)2(H)	H(CCHH)	C(CC[3,3,5]CH)(H)3	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(CH3)2(H)	H(CCHH)	109.4657	0.122	6	109.4657	0.015	6	109.4657	0.015	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	H(CCHH)	109.4610	0.006	2	109.4610	0.000	2	109.4705	0.005	70	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	H(CCHH)	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	H(CCHH)	109.4897	0.009	3	109.4897	0.000	3	109.4705	0.005	70	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	H(CCHH)	109.3413	0.137	3	109.3413	0.019	3	109.4705	0.005	70	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[3]C[5])(CH3)2(H)	H(CCHH)	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[3]C[5])(CH3)2(H)	H(CCHH)	109.4808	0.033	26	109.4808	0.001	26	109.4705	0.005	70	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	H(CCHH)	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	H(CCHH)	109.4736	0.088	31	109.4736	0.008	31	109.4705	0.005	70	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	H(CCHH)	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	H(CCHH)	109.4678	0.053	5	109.4678	0.003	5	109.4705	0.005	70	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[3,5]C[6]H)(H)3	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	H(CCHH)	C(CC[3,5]C[6]H)(H)3	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	H(CCHH)	109.5105	0.008	2	109.5105	0.000	2	109.5105	0.000	2	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:C-4:H-1:	C-4:	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	H(CCHH)	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	H(CCHH)	109.4772	0.028	5	109.4772	0.001	5	109.4737	0.001	22	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:C-4:H-1:	C-4:	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[3]C[6])(CH3)2(H)	H(CCHH)	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[3]C[6])(CH3)2(H)	H(CCHH)	109.4807	0.009	3	109.4807	0.000	3	109.4737	0.001	22	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:C-4:H-1:	C-4:	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	H(CCHH)	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	H(CCHH)	109.4710	0.033	4	109.4710	0.001	4	109.4737	0.001	22	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:C-4:H-1:	C-4:	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	H(CCHH)	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	H(CCHH)	109.4710	0.025	10	109.4710	0.001	10	109.4737	0.001	22	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3,5]C[3]H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3,5]C[3]H)(CH3)2(H)	H(CCHH)	109.4742	0.043	4	109.4742	0.002	4	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	H(CCHH)	110.1757	1.350	6	110.1757	1.823	6	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	H(CCHH)	109.4761	0.026	7	109.4761	0.001	7	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3,6]O[3]H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3,6]O[3]H)(CH3)2(H)	H(CCHH)	110.2280	0.734	6	110.2280	0.539	6	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2C)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2C)(CH3)2(H)	H(CCHH)	109.4730	0.044	5	109.4730	0.002	5	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2F)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2F)(CH3)2(H)	H(CCHH)	109.5165	0.030	6	109.5165	0.001	6	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CCHO)(CH3)(H)	H(CCHH)	109.4683	0.028	3	109.4683	0.001	3	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(CCHH)	109.4573	0.060	12	109.4573	0.004	12	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	H(CCHH)	109.4620	0.034	6	109.4620	0.001	6	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CH3)2(H)	H(CCHH)	109.4600	0.037	4	109.4600	0.001	4	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CHHO)(CH3)(H)	H(CCHH)	109.5010	0.052	3	109.5010	0.003	3	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]N[3]H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]N[3]H)(CH3)2(H)	H(CCHH)	109.4736	0.028	8	109.4736	0.001	8	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]C)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]C)(CH3)2(H)	H(CCHH)	109.4562	0.314	11	109.4562	0.099	11	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	H(CCHH)	109.4470	0.000	1	109.4470	0.000	1	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	H(CCHH)	109.4530	0.021	2	109.4530	0.000	2	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	H(CCHH)	109.4729	0.093	8	109.4729	0.009	8	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(CCHH)	110.2752	1.486	6	110.2752	2.207	6	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	H(CCHH)	108.2847	4.439	3	108.2847	19.701	3	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CH3)2(H)	H(CCHH)	109.4780	0.043	10	109.4780	0.002	10	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	H(CCHH)	109.4350	0.011	3	109.4350	0.000	3	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]O[3]P[3]H)(CH3)2(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]O[3]P[3]H)(CH3)2(H)	H(CCHH)	109.4616	0.027	5	109.4616	0.001	5	109.5543	0.654	119	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[3]C[5]H)(H)3	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	H(CCHH)	C(CC[3]C[5]H)(H)3	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	H(CCHH)	109.4732	0.034	6	109.4732	0.001	6	109.4732	0.001	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x5,6]CH)(H)3	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	H(CCHH)	C(CC[3x5,6]CH)(H)3	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	H(CCHH)	109.4784	0.042	5	109.4784	0.002	5	109.4784	0.002	5	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x6]CH)(H)3	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	H(CCHH)	C(CC[3x6]CH)(H)3	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	H(CCHH)	109.4958	0.039	8	109.4958	0.002	8	109.7294	0.602	28	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	H(CCHH)	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	H(CCHH)	109.4696	0.025	8	109.4696	0.001	8	109.7294	0.602	28	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]3)(CH3)2(H)	H(CCHH)	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]3)(CH3)2(H)	H(CCHH)	110.3514	1.304	8	110.3514	1.699	8	109.7294	0.602	28	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	H(CCHH)	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	H(CCHH)	109.4725	0.053	4	109.4725	0.003	4	109.7294	0.602	28	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:N-4:C-4:H-1:	C-4:	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6]3)(NNiCH)(CH3)(H)	H(CCHH)	C(CC[3x6]HN)(H)3	C(C[3x6]C[6,6]3)(NNiCH)(CH3)(H)	H(CCHH)	109.4660	0.049	3	109.4660	0.002	3	109.4660	0.002	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4,5,5,3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[4,5,5,3x6]CH)(H)3	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	H(CCHH)	C(CC[4,5,5,3x6]CH)(H)3	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	H(CCHH)	109.4533	0.054	3	109.4533	0.003	3	109.4533	0.003	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4,5]-4:C-4:C-4:H-1:	C-4:	C(CC[4,5]CH)(H)3	C(C[4,5]C[4,5]C[4,6]N[5])(CH3)2(H)	H(CCHH)	C(CC[4,5]CH)(H)3	C(C[4,5]C[4,5]C[4,6]N[5])(CH3)2(H)	H(CCHH)	109.4750	0.037	5	109.4750	0.001	5	110.2320	1.735	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4,5]-4:C-4:C-4:H-1:	C-4:	C(CC[4,5]CH)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)2(H)	H(CCHH)	C(CC[4,5]CH)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)2(H)	H(CCHH)	110.8628	1.555	6	110.8628	2.419	6	110.2320	1.735	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(H)3	C(C[4]C[4]2H)(CH3)2(H)	H(CCHH)	C(CC[4]CH)(H)3	C(C[4]C[4]2H)(CH3)2(H)	H(CCHH)	109.4943	0.052	3	109.4943	0.003	3	109.4552	2.163	66	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(H)3	C(C[4]C[4]2H)(CHHN)(CH3)(H)	H(CCHH)	C(CC[4]CH)(H)3	C(C[4]C[4]2H)(CHHN)(CH3)(H)	H(CCHH)	109.4507	0.018	3	109.4507	0.000	3	109.4552	2.163	66	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(H)3	C(C[4]C[4]2N)(CH3)2(H)	H(CCHH)	C(CC[4]CH)(H)3	C(C[4]C[4]2N)(CH3)2(H)	H(CCHH)	109.4852	0.022	6	109.4852	0.000	6	109.4552	2.163	66	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(H)3	C(C[4]C[4]N[4]H)(CH3)2(H)	H(CCHH)	C(CC[4]CH)(H)3	C(C[4]C[4]N[4]H)(CH3)2(H)	H(CCHH)	109.4740	0.746	6	109.4740	0.556	6	109.4552	2.163	66	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(H)3	C(C[4]C[4]O[4]H)(CH3)2(H)	H(CCHH)	C(CC[4]CH)(H)3	C(C[4]C[4]O[4]H)(CH3)2(H)	H(CCHH)	109.4380	2.075	33	109.4380	4.306	33	109.4552	2.163	66	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(H)3	C(C[4]C[4]P[4]H)(CH3)2(H)	H(CCHH)	C(CC[4]CH)(H)3	C(C[4]C[4]P[4]H)(CH3)2(H)	H(CCHH)	109.4717	0.039	12	109.4717	0.001	12	109.4552	2.163	66	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(H)3	C(C[4]S[4]2S)(CCHH)(CH3)(H)	H(CCHH)	C(CC[4]CH)(H)3	C(C[4]S[4]2S)(CCHH)(CH3)(H)	H(CCHH)	109.4457	0.033	3	109.4457	0.001	3	109.4552	2.163	66	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4]-4:Si-4:C-4:H-1:	C-4:	C(CC[4]SiH)(H)3	C(C[4]C[4]2H)(SiC[6a]CC)(CH3)(H)	H(CCHH)	C(CC[4]SiH)(H)3	C(C[4]C[4]2H)(SiC[6a]CC)(CH3)(H)	H(CCHH)	110.6837	2.179	3	110.6837	4.749	3	110.6837	4.749	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[4x6]-4:C-4:C-4:H-1:	C-4:	C(CC[4x6]CH)(H)3	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	H(CCHH)	C(CC[4x6]CH)(H)3	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	H(CCHH)	109.4624	0.026	11	109.4624	0.001	11	109.4624	0.001	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,3x6]CH)(H)3	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	H(CCHH)	C(CC[5,3x6]CH)(H)3	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	H(CCHH)	109.4215	0.059	6	109.4215	0.003	6	109.4215	0.003	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	H(CCHH)	109.4630	0.027	8	109.4630	0.001	8	109.4685	0.001	44	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	H(CCHH)	109.4953	0.024	7	109.4953	0.001	7	109.4685	0.001	44	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	H(CCHH)	109.4576	0.030	9	109.4576	0.001	9	109.4685	0.001	44	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4649	0.040	10	109.4649	0.002	10	109.4685	0.001	44	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	H(CCHH)	109.4603	0.015	4	109.4603	0.000	4	109.4685	0.001	44	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	H(CCHH)	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	H(CCHH)	109.4727	0.034	6	109.4727	0.001	6	109.4685	0.001	44	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	H(CCHH)	109.5037	0.020	3	109.5037	0.000	3	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	H(CCHH)	109.5228	0.114	4	109.5228	0.013	4	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCHH)	109.4795	0.023	6	109.4795	0.001	6	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	H(CCHH)	109.4458	0.039	5	109.4458	0.001	5	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	H(CCHH)	109.4977	0.053	7	109.4977	0.003	7	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	H(CCHH)	109.4550	0.037	3	109.4550	0.001	3	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	H(CCHH)	109.5003	0.033	6	109.5003	0.001	6	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(H)3	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	H(CCHH)	C(CC[5,5]CH)(H)3	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	H(CCHH)	109.4290	0.034	5	109.4290	0.001	5	109.4796	0.003	39	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6,6]CH)(H)3	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	H(CCHH)	C(CC[5,6,6]CH)(H)3	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	H(CCHH)	109.4732	0.026	5	109.4732	0.001	5	109.4732	0.001	5	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	H(CCHH)	109.4875	0.018	4	109.4875	0.000	4	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	H(CCHH)	109.4863	0.018	3	109.4863	0.000	3	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	H(CCHH)	110.4978	1.039	6	110.4978	1.080	6	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	H(CCHH)	109.4460	0.010	3	109.4460	0.000	3	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2H)(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2H)(CH3)2(H)	H(CCHH)	107.3547	7.693	12	107.3547	59.181	12	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	H(CCHH)	109.4793	0.027	6	109.4793	0.001	6	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	H(CCHH)	109.4875	0.021	2	109.4875	0.000	2	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	H(CCHH)	109.7592	1.214	28	109.7592	1.475	28	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	H(CCHH)	109.4727	0.026	3	109.4727	0.001	3	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	H(CCHH)	109.4665	0.018	4	109.4665	0.000	4	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	H(CCHH)	109.7063	1.317	32	109.7063	1.735	32	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	H(CCHH)	109.4690	0.029	11	109.4690	0.001	11	109.4399	7.204	114	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:Cl-1:	C-4:	C(CC[5]ClC)(H)3	C(C[5]C[5]O[5]H)(CH3)2(Cl)	H(CCHH)	C(CC[5]ClC)(H)3	C(C[5]C[5]O[5]H)(CH3)2(Cl)	H(CCHH)	109.4710	0.046	5	109.4710	0.002	5	109.4710	0.002	5	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:F-1:	C-4:	C(CC[5]CF)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(F)	H(CCHH)	C(CC[5]CF)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(F)	H(CCHH)	109.4748	0.013	4	109.4748	0.000	4	109.4748	0.000	4	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	H(CCHH)	110.7890	1.677	12	110.7890	2.812	12	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	109.4769	0.037	9	109.4769	0.001	9	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	H(CCHH)	109.4755	0.005	2	109.4755	0.000	2	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[3,5]O[5]O)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[3,5]O[5]O)(CH3)2(H)	H(CCHH)	109.4550	0.024	5	109.4550	0.001	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[3x5]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[3x5]C[5]H)(CH3)2(H)	H(CCHH)	109.4782	0.043	9	109.4782	0.002	9	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	H(CCHH)	109.4813	0.034	6	109.4813	0.001	6	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	109.4859	0.021	8	109.4859	0.000	8	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	H(CCHH)	109.4817	0.036	3	109.4817	0.001	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	H(CCHH)	109.5360	0.047	5	109.5360	0.002	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	H(CCHH)	110.3028	1.367	9	110.3028	1.868	9	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	H(CCHH)	109.4905	0.023	6	109.4905	0.001	6	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	109.4817	0.017	3	109.4817	0.000	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(H)	H(CCHH)	110.9847	2.544	27	110.9847	6.474	27	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]N[5]H)(CH3)2(H)	H(CCHH)	109.4679	0.033	15	109.4679	0.001	15	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]C)(CH3)2(H)	H(CCHH)	109.4513	0.039	8	109.4513	0.002	8	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	H(CCHH)	109.4987	0.047	3	109.4987	0.002	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	H(CCHH)	109.4710	0.018	3	109.4710	0.000	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	H(CCHH)	109.4725	0.585	6	109.4725	0.342	6	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	H(CCHH)	110.9308	1.271	11	110.9308	1.616	11	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	H(CCHH)	111.2224	2.274	11	111.2224	5.171	11	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	H(CCHH)	109.4696	0.030	7	109.4696	0.001	7	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	H(CCHH)	109.4722	0.050	5	109.4722	0.002	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	H(CCHH)	109.4688	0.016	4	109.4688	0.000	4	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Fe)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Fe)(CH3)2(H)	H(CCHH)	109.4743	0.050	29	109.4743	0.003	29	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCHH)	109.5622	1.001	789	109.5622	1.001	789	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCHH)	109.7516	1.379	16	109.7516	1.901	16	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	H(CCHH)	109.5087	0.023	3	109.5087	0.001	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	H(CCHH)	109.4810	0.023	3	109.4810	0.001	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	H(CCHH)	109.4700	0.023	4	109.4700	0.001	4	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)2(H)	H(CCHH)	109.6198	0.971	130	109.6198	0.943	130	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	H(CCHH)	109.4727	0.040	3	109.4727	0.002	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(CCHH)	110.7683	1.680	7	110.7683	2.821	7	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	H(CCHH)	109.4688	0.019	5	109.4688	0.000	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4740	0.017	2	109.4740	0.000	2	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4783	0.073	3	109.4783	0.005	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	H(CCHH)	109.4613	0.015	3	109.4613	0.000	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)2(H)	H(CCHH)	110.0197	1.689	226	110.0197	2.853	226	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]N[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]N[5]H)(CH3)2(H)	H(CCHH)	109.4770	0.027	10	109.4770	0.001	10	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6]O[5]C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6]O[5]C)(CH3)2(H)	H(CCHH)	110.8901	4.724	24	110.8901	22.313	24	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]2C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]2C)(CH3)2(H)	H(CCHH)	109.4564	0.038	5	109.4564	0.001	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	H(CCHH)	111.3545	1.485	6	111.3545	2.206	6	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	H(CCHH)	109.4624	0.046	11	109.4624	0.002	11	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	H(CCHH)	110.3003	2.893	3	110.3003	8.369	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	H(CCHH)	109.4963	0.009	3	109.4963	0.000	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	H(CCHH)	109.4560	0.006	2	109.4560	0.000	2	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	H(CCHH)	110.5655	2.376	12	110.5655	5.647	12	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CCCH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CCCH)(CH3)(H)	H(CCHH)	109.4710	0.004	2	109.4710	0.000	2	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CCHH)(CH3)(H)	H(CCHH)	109.4857	0.023	3	109.4857	0.001	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	H(CCHH)	109.4745	0.030	6	109.4745	0.001	6	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CH3)2(H)	H(CCHH)	109.5115	0.040	4	109.5115	0.002	4	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Ca)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Ca)(CH3)2(H)	H(CCHH)	109.4656	0.053	19	109.4656	0.003	19	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Dy)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Dy)(CH3)2(H)	H(CCHH)	109.4675	0.037	12	109.4675	0.001	12	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	H(CCHH)	109.4820	0.042	5	109.4820	0.002	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCHH)	109.4780	0.039	106	109.4780	0.002	106	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4584	0.032	5	109.4584	0.001	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	H(CCHH)	109.4942	0.049	5	109.4942	0.002	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CH3)2(H)	H(CCHH)	109.4485	1.145	143	109.4485	1.312	143	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCHH)	109.4946	0.117	37	109.4946	0.014	37	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(CCHH)	109.4728	0.033	18	109.4728	0.001	18	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4724	0.041	23	109.4724	0.002	23	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)2(H)	H(CCHH)	109.5507	0.576	116	109.5507	0.332	116	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(CCHH)	109.4715	0.035	12	109.4715	0.001	12	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	H(CCHH)	109.4934	0.041	5	109.4934	0.002	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2La)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2La)(CH3)2(H)	H(CCHH)	111.1326	3.341	18	111.1326	11.160	18	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Ni)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Ni)(CH3)2(H)	H(CCHH)	109.4715	0.044	101	109.4715	0.002	101	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(H)	H(CCHH)	109.4812	0.012	6	109.4812	0.000	6	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	H(CCHH)	109.5040	0.008	2	109.5040	0.000	2	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	H(CCHH)	109.4855	0.019	2	109.4855	0.000	2	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Re)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Re)(CH3)2(H)	H(CCHH)	109.4723	0.024	9	109.4723	0.001	9	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Rh)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Rh)(CH3)2(H)	H(CCHH)	109.4768	0.028	14	109.4768	0.001	14	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCHH)	109.4739	0.032	15	109.4739	0.001	15	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Sm)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Sm)(CH3)2(H)	H(CCHH)	112.5046	2.960	12	112.5046	8.763	12	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Tb)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Tb)(CH3)2(H)	H(CCHH)	109.4579	0.044	14	109.4579	0.002	14	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Ti)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Ti)(CH3)2(H)	H(CCHH)	112.3268	1.990	6	112.3268	3.959	6	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2U)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2U)(CH3)2(H)	H(CCHH)	109.4661	0.056	36	109.4661	0.003	36	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	H(CCHH)	110.2332	1.444	13	110.2332	2.085	13	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]2Zr)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]2Zr)(CH3)2(H)	H(CCHH)	109.4616	0.027	8	109.4616	0.001	8	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]C)(CH3)2(H)	H(CCHH)	109.4682	0.188	98	109.4682	0.035	98	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(CCHH)	109.4605	0.051	19	109.4605	0.003	19	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)2(H)	H(CCHH)	109.5136	0.519	1688	109.5136	0.270	1688	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]Mo)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]Mo)(CH3)2(H)	H(CCHH)	109.4815	0.045	8	109.4815	0.002	8	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	H(CCHH)	109.4587	0.071	3	109.4587	0.005	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	H(CCHH)	109.4733	0.030	3	109.4733	0.001	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CH3)2(H)	H(CCHH)	109.4634	0.040	14	109.4634	0.002	14	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	H(CCHH)	109.4712	0.032	5	109.4712	0.001	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCHH)	109.6084	0.306	11	109.6084	0.094	11	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	H(CCHH)	109.4643	0.035	3	109.4643	0.001	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CH3)2(H)	H(CCHH)	109.4437	0.405	21	109.4437	0.164	21	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	H(CCHH)	109.4813	0.034	3	109.4813	0.001	3	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	H(CCHH)	109.4818	0.041	8	109.4818	0.002	8	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]O)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]O)(CH3)2(H)	H(CCHH)	109.4294	0.060	5	109.4294	0.004	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]P[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]P[5]H)(CH3)2(H)	H(CCHH)	109.4743	0.053	52	109.4743	0.003	52	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	H(CCHH)	109.4585	0.077	2	109.4585	0.006	2	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	H(CCHH)	110.8217	1.024	12	110.8217	1.048	12	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	H(CCHH)	109.4839	0.029	12	109.4839	0.001	12	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5,5]C[5]H)(CH3)2(H)	H(CCHH)	109.8520	1.043	69	109.8520	1.089	69	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5,6]C[5]H)(CH3)2(H)	H(CCHH)	109.4601	0.067	23	109.4601	0.004	23	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5]2C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5]2C)(CH3)2(H)	H(CCHH)	109.4761	0.032	25	109.4761	0.001	25	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5]O[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5]O[5]H)(CH3)2(H)	H(CCHH)	109.4785	0.037	10	109.4785	0.001	10	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]N[5]S[5]H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]N[5]S[5]H)(CH3)2(H)	H(CCHH)	109.4932	0.043	9	109.4932	0.002	9	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]O[5]2C)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]O[5]2C)(CH3)2(H)	H(CCHH)	109.4710	0.010	4	109.4710	0.000	4	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)3	C(C[5]O[5]2H)(CH3)2(H)	H(CCHH)	C(CC[5]CH)(H)3	C(C[5]O[5]2H)(CH3)2(H)	H(CCHH)	109.2638	0.327	5	109.2638	0.107	5	109.6097	0.935	4365	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:I-1:	C-4:	C(CC[5]CI)(H)3	C(C[5]C[5]O[5]H)(CH3)2(I)	H(CCHH)	C(CC[5]CI)(H)3	C(C[5]C[5]O[5]H)(CH3)2(I)	H(CCHH)	109.4736	0.075	18	109.4736	0.006	18	109.4736	0.006	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-1:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)2(O)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)2(O)	H(CCHH)	111.0428	5.852	6	111.0428	34.247	6	111.0428	34.247	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[3]-4:C-4:H-1:	C-4:	C(CC[3]C[5]H)(H)3	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(CCHH)	C(CC[3]C[5]H)(H)3	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(CCHH)	109.5085	0.022	6	109.5085	0.000	6	109.5085	0.000	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[5]2H)(H)3	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(CCHH)	C(CC[5]2H)(H)3	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	H(CCHH)	109.4673	0.010	6	109.4673	0.000	6	109.4697	0.000	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[5]2H)(H)3	C(C[5]C[5]2H)2(CH3)(H)	H(CCHH)	C(CC[5]2H)(H)3	C(C[5]C[5]2H)2(CH3)(H)	H(CCHH)	109.4630	0.016	3	109.4630	0.000	3	109.4697	0.000	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[5]2H)(H)3	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	H(CCHH)	C(CC[5]2H)(H)3	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	H(CCHH)	109.4870	0.011	2	109.4870	0.000	2	109.4697	0.000	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[5]C[6]H)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(CCHH)	C(CC[5]C[6]H)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	H(CCHH)	109.3998	1.292	13	109.3998	1.670	13	109.4083	1.432	15	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[5]C[6]H)(H)3	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	H(CCHH)	C(CC[5]C[6]H)(H)3	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	H(CCHH)	109.4635	0.040	2	109.4635	0.002	2	109.4083	1.432	15	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	H(CCHH)	109.4800	0.040	3	109.4800	0.002	3	109.4665	0.418	48	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	H(CCHH)	109.4590	0.040	6	109.4590	0.002	6	109.4665	0.418	48	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	H(CCHH)	109.4488	0.023	5	109.4488	0.001	5	109.4665	0.418	48	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NPdCC)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NPdCC)(CH3)(H)	H(CCHH)	109.4864	0.033	12	109.4864	0.001	12	109.4665	0.418	48	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NRuCC)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]2Fe)(NRuCC)(CH3)(H)	H(CCHH)	109.4609	0.073	16	109.4609	0.005	16	109.4665	0.418	48	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(H)3	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	H(CCHH)	C(CC[5]HN)(H)3	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	H(CCHH)	109.4570	1.976	6	109.4570	3.904	6	109.4665	0.418	48	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PAuCC)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PAuCC)(CH3)(H)	H(CCHH)	109.4793	0.018	3	109.4793	0.000	3	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]PdC)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]PdC)(CH3)(H)	H(CCHH)	109.4582	0.063	16	109.4582	0.004	16	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]PdH)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]PdH)(CH3)(H)	H(CCHH)	109.5133	0.058	3	109.5133	0.003	3	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]PdO)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[3x6]PdO)(CH3)(H)	H(CCHH)	109.4953	0.047	3	109.4953	0.002	3	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]2Ni)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]2Ni)(CH3)(H)	H(CCHH)	109.4350	0.004	2	109.4350	0.000	2	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]2Pd)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]2Pd)(CH3)(H)	H(CCHH)	109.4977	0.055	3	109.4977	0.003	3	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]2Ru)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]2Ru)(CH3)(H)	H(CCHH)	109.4667	0.055	9	109.4667	0.003	9	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]AuC)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]AuC)(CH3)(H)	H(CCHH)	109.4627	0.026	4	109.4627	0.001	4	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	H(CCHH)	109.4866	0.050	8	109.4866	0.002	8	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]ReC)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6]ReC)(CH3)(H)	H(CCHH)	109.4842	0.062	12	109.4842	0.004	12	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	H(CCHH)	109.4630	0.004	2	109.4630	0.000	2	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CH3)(H)	H(CCHH)	109.4760	0.022	12	109.4760	0.000	12	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Pt)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Pt)(CH3)(H)	H(CCHH)	109.4747	0.049	6	109.4747	0.002	6	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Rh)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Rh)(CH3)(H)	H(CCHH)	109.4470	0.044	5	109.4470	0.002	5	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CH3)(H)	H(CCHH)	109.4554	0.071	40	109.4554	0.005	40	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PFeCC)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PFeCC)(CH3)(H)	H(CCHH)	109.4497	0.032	3	109.4497	0.001	3	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PPdCC)(CH3)(H)	H(CCHH)	C(CC[5]HP)(H)3	C(C[5]C[5]2Fe)(PPdCC)(CH3)(H)	H(CCHH)	109.3497	0.226	3	109.3497	0.051	3	109.4645	0.004	134	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:S-4:C-4:H-1:	C-4:	C(CC[5]HS)(H)3	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	H(CCHH)	C(CC[5]HS)(H)3	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	H(CCHH)	109.4863	0.030	3	109.4863	0.001	3	109.4863	0.001	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	H(CCHH)	109.4476	0.035	8	109.4476	0.001	8	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	H(CCHH)	109.4490	0.016	3	109.4490	0.000	3	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	H(CCHH)	109.4748	0.049	4	109.4748	0.002	4	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	H(CCHH)	109.4622	0.023	6	109.4622	0.001	6	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	H(CCHH)	110.4067	0.941	18	110.4067	0.886	18	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	H(CCHH)	109.4572	0.042	5	109.4572	0.002	5	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	H(CCHH)	109.4772	0.038	5	109.4772	0.001	5	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	H(CCHH)	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	H(CCHH)	109.4795	0.018	4	109.4795	0.000	4	109.7832	0.494	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C-4:	C(CC[6]ClC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(CCHH)	C(CC[6]ClC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(CCHH)	109.4516	0.017	5	109.4516	0.000	5	109.4588	0.001	17	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C-4:	C(CC[6]ClC)(H)3	C(C[6]C[6]2H)(CH3)2(Cl)	H(CCHH)	C(CC[6]ClC)(H)3	C(C[6]C[6]2H)(CH3)2(Cl)	H(CCHH)	109.4617	0.034	12	109.4617	0.001	12	109.4588	0.001	17	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:F-1:	C-4:	C(CC[6]CF)(H)3	C(C[6]C[6]2H)(CH3)2(F)	H(CCHH)	C(CC[6]CF)(H)3	C(C[6]C[6]2H)(CH3)2(F)	H(CCHH)	109.5178	1.114	10	109.5178	1.241	10	109.5080	0.931	13	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:F-1:	C-4:	C(CC[6]CF)(H)3	C(C[6]N[6]2H)(CH3)2(F)	H(CCHH)	C(CC[6]CF)(H)3	C(C[6]N[6]2H)(CH3)2(F)	H(CCHH)	109.4753	0.011	3	109.4753	0.000	3	109.5080	0.931	13	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]B[5,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]B[5,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4745	0.031	8	109.4745	0.001	8	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]B[6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]B[6]C[6]H)(CH3)2(H)	H(CCHH)	109.4839	0.029	7	109.4839	0.001	7	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4567	0.030	3	109.4567	0.001	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[3,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[3,6]C[6]H)(CH3)2(H)	H(CCHH)	109.5429	0.520	58	109.5429	0.270	58	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[3,6]C[6]O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[3,6]C[6]O)(CH3)2(H)	H(CCHH)	109.4697	0.009	3	109.4697	0.000	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]H)(CH3)2(H)	H(CCHH)	109.4707	0.009	3	109.4707	0.000	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	H(CCHH)	109.4695	0.070	2	109.4695	0.005	2	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]O)(CH3)2(H)	H(CCHH)	109.4653	0.042	3	109.4653	0.002	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4830	0.089	3	109.4830	0.008	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[4,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[4,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4874	0.042	5	109.4874	0.002	5	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4607	0.022	6	109.4607	0.001	6	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4738	0.039	5	109.4738	0.002	5	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4571	0.044	8	109.4571	0.002	8	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4817	0.043	12	109.4817	0.002	12	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(H)	H(CCHH)	109.6387	1.030	212	109.6387	1.060	212	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]O)(CH3)2(H)	H(CCHH)	109.4418	0.034	9	109.4418	0.001	9	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	H(CCHH)	110.7533	5.398	3	110.7533	29.136	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5,6]O[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5,6]O[6]H)(CH3)2(H)	H(CCHH)	109.4789	0.031	9	109.4789	0.001	9	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4745	0.028	15	109.4745	0.001	15	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	H(CCHH)	110.6256	1.005	12	110.6256	1.010	12	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	H(CCHH)	109.3743	2.819	3	109.3743	7.949	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4645	0.042	22	109.4645	0.002	22	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4706	0.044	169	109.4706	0.002	169	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	H(CCHH)	109.4710	0.012	3	109.4710	0.000	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]O)(CH3)2(H)	H(CCHH)	109.4610	0.019	4	109.4610	0.000	4	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	H(CCHH)	109.4569	0.043	9	109.4569	0.002	9	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6]O[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6]O[6]H)(CH3)2(H)	H(CCHH)	109.4776	0.035	15	109.4776	0.001	15	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]2O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]2O)(CH3)2(H)	H(CCHH)	109.4659	0.192	11	109.4659	0.037	11	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	H(CCHH)	109.4728	0.031	28	109.4728	0.001	28	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	H(CCHH)	109.4658	0.030	38	109.4658	0.001	38	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	H(CCHH)	109.4835	0.026	4	109.4835	0.001	4	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	H(CCHH)	109.4687	0.030	7	109.4687	0.001	7	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	H(CCHH)	109.4493	0.047	4	109.4493	0.002	4	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4773	0.018	3	109.4773	0.000	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	H(CCHH)	109.4700	0.068	44	109.4700	0.005	44	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	H(CCHH)	109.4990	0.017	3	109.4990	0.000	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	H(CCHH)	109.4916	0.024	10	109.4916	0.001	10	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	H(CCHH)	109.4667	0.044	9	109.4667	0.002	9	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	H(CCHH)	109.4729	0.033	12	109.4729	0.001	12	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	H(CCHH)	109.4880	0.026	5	109.4880	0.001	5	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	H(CCHH)	109.4758	0.037	4	109.4758	0.001	4	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	H(CCHH)	109.4728	0.043	5	109.4728	0.002	5	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCHH)	109.4237	0.351	20	109.4237	0.123	20	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CH3)2(H)	H(CCHH)	110.3369	1.837	48	110.3369	3.376	48	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Ca)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Ca)(CH3)2(H)	H(CCHH)	109.4724	0.035	11	109.4724	0.001	11	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Co)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Co)(CH3)2(H)	H(CCHH)	109.4684	0.036	30	109.4684	0.001	30	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Cr)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Cr)(CH3)2(H)	H(CCHH)	110.8087	1.517	28	110.8087	2.301	28	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Cu)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Cu)(CH3)2(H)	H(CCHH)	109.4558	0.027	6	109.4558	0.001	6	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	H(CCHH)	111.1728	2.977	12	111.1728	8.864	12	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Fe)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Fe)(CH3)2(H)	H(CCHH)	109.2358	1.534	41	109.2358	2.354	41	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCHH)	109.4678	0.039	35	109.4678	0.001	35	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHO)(CH3)(H)	H(CCHH)	109.4607	0.014	3	109.4607	0.000	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4870	0.089	3	109.4870	0.008	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)2(H)	H(CCHH)	109.6242	1.089	1612	109.6242	1.185	1612	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHH)	109.7901	1.329	37	109.7901	1.766	37	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Ir)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Ir)(CH3)2(H)	H(CCHH)	109.4718	0.079	29	109.4718	0.006	29	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Li)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Li)(CH3)2(H)	H(CCHH)	109.4621	0.053	10	109.4621	0.003	10	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Mo)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Mo)(CH3)2(H)	H(CCHH)	109.2216	2.081	87	109.2216	4.329	87	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2N)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2N)(CH3)2(H)	H(CCHH)	109.4756	0.038	8	109.4756	0.001	8	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Ni)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Ni)(CH3)2(H)	H(CCHH)	109.4662	0.029	13	109.4662	0.001	13	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	H(CCHH)	109.4752	0.021	5	109.4752	0.000	5	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2O)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2O)(CH3)2(H)	H(CCHH)	109.5877	1.151	42	109.5877	1.326	42	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Os)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Os)(CH3)2(H)	H(CCHH)	109.4723	0.124	313	109.4723	0.015	313	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Pd)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Pd)(CH3)2(H)	H(CCHH)	109.4849	0.041	19	109.4849	0.002	19	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Rh)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Rh)(CH3)2(H)	H(CCHH)	109.4566	0.033	9	109.4566	0.001	9	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	H(CCHH)	111.6643	1.066	3	111.6643	1.137	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CH3)2(H)	H(CCHH)	109.4927	0.986	3444	109.4927	0.971	3444	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Sm)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Sm)(CH3)2(H)	H(CCHH)	109.4611	0.073	23	109.4611	0.005	23	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2W)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2W)(CH3)2(H)	H(CCHH)	109.4650	0.037	10	109.4650	0.001	10	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]2Yb)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]2Yb)(CH3)2(H)	H(CCHH)	109.4782	0.063	13	109.4782	0.004	13	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	H(CCHH)	109.4825	0.049	2	109.4825	0.002	2	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4707	0.035	30	109.4707	0.001	30	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	H(CCHH)	109.4785	0.022	2	109.4785	0.000	2	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)2(H)	H(CCHH)	110.0140	1.306	155	110.0140	1.707	155	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]S)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]S)(CH3)2(H)	H(CCHH)	109.4533	0.033	6	109.4533	0.001	6	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]C)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]C)(CH3)2(H)	H(CCHH)	109.4722	0.022	5	109.4722	0.000	5	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4719	0.044	16	109.4719	0.002	16	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	H(CCHH)	110.2150	1.609	8	110.2150	2.589	8	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	H(CCHH)	109.4483	0.052	3	109.4483	0.003	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	H(CCHH)	110.4957	0.241	3	110.4957	0.058	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	H(CCHH)	120.4123	9.744	3	120.4123	94.936	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)2(H)	H(CCHH)	109.9810	2.674	118	109.9810	7.152	118	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(CCHH)	109.5012	0.191	17	109.5012	0.036	17	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	H(CCHH)	109.5007	0.025	3	109.5007	0.001	3	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	H(CCHH)	109.4696	0.038	8	109.4696	0.001	8	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]N[5,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]N[5,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4653	0.030	32	109.4653	0.001	32	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	H(CCHH)	109.4742	0.020	6	109.4742	0.000	6	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]N[6]2H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]N[6]2H)(CH3)2(H)	H(CCHH)	109.4749	0.046	20	109.4749	0.002	20	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]N[6]O[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]N[6]O[6]H)(CH3)2(H)	H(CCHH)	109.4842	0.039	9	109.4842	0.002	9	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]N[6]P[6]H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]N[6]P[6]H)(CH3)2(H)	H(CCHH)	109.4765	0.026	6	109.4765	0.001	6	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]O[6]2H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]O[6]2H)(CH3)2(H)	H(CCHH)	109.4676	0.036	16	109.4676	0.001	16	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	H(CCHH)	109.4690	0.006	2	109.4690	0.000	2	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CCHH)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CCHH)(CH3)(H)	H(CCHH)	109.4710	0.030	2	109.4710	0.001	2	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(CCHH)	109.4520	0.025	5	109.4520	0.001	5	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CH3)2(H)	H(CCHH)	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CH3)2(H)	H(CCHH)	109.4585	0.031	6	109.4585	0.001	6	109.5621	1.167	7195	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]2H)(CH3)(NH3)(H)	H(CCHH)	108.8408	1.467	10	108.8408	2.153	10	109.1538	2.427	13	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	C-4:	C(CC[6]HN)(H)3	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	H(CCHH)	C(CC[6]HN)(H)3	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	H(CCHH)	110.1970	1.658	3	110.1970	2.750	3	109.1538	2.427	13	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[6]2H)(H)3	C(C[6]C[6]O[6]H)2(CH3)(H)	H(CCHH)	C(CC[6]2H)(H)3	C(C[6]C[6]O[6]H)2(CH3)(H)	H(CCHH)	109.3756	0.092	5	109.3756	0.008	5	109.3756	0.008	5	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:Si-4:C-4:H-1:	C-4:	C(CC[6]SiH)(H)3	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	H(CCHH)	C(CC[6]SiH)(H)3	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	H(CCHH)	109.4690	0.038	6	109.4690	0.001	6	109.4690	0.001	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:H-1:	C-4:	C(CGaCH)(H)3	C(GaCSS)(CH3)2(H)	H(CCHH)	C(CGaCH)(H)3	C(GaCSS)(CH3)2(H)	H(CCHH)	109.4805	0.041	16	109.4805	0.002	16	109.4805	0.002	16	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ga[6,6]-4:C-4:C-4:H-1:	C-4:	C(CGa[6,6]CH)(H)3	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	H(CCHH)	C(CGa[6,6]CH)(H)3	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	H(CCHH)	109.4832	0.042	23	109.4832	0.002	23	109.4832	0.002	23	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:C-4:H-1:	C-4:	C(CGa[6]CH)(H)3	C(Ga[6]N[6]2Te)(CH3)2(H)	H(CCHH)	C(CGa[6]CH)(H)3	C(Ga[6]N[6]2Te)(CH3)2(H)	H(CCHH)	109.4900	0.042	2	109.4900	0.002	2	109.4900	0.002	2	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:H-1:	C-4:	C(CGeCH)(H)3	C(GeC3)(CH3)2(H)	H(CCHH)	C(CGeCH)(H)3	C(GeC3)(CH3)2(H)	H(CCHH)	109.4706	0.053	55	109.4706	0.003	55	109.4714	0.003	98	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:H-1:	C-4:	C(CGeCH)(H)3	C(GeGeCC)(CH3)2(H)	H(CCHH)	C(CGeCH)(H)3	C(GeGeCC)(CH3)2(H)	H(CCHH)	109.4741	0.054	37	109.4741	0.003	37	109.4714	0.003	98	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:H-1:	C-4:	C(CGeCH)(H)3	C(GeSiCC)(CH3)2(H)	H(CCHH)	C(CGeCH)(H)3	C(GeSiCC)(CH3)2(H)	H(CCHH)	109.4623	0.045	6	109.4623	0.002	6	109.4714	0.003	98	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:C-4:H-1:	C-4:	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Cd)(CH3)2(H)	H(CCHH)	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Cd)(CH3)2(H)	H(CCHH)	109.4674	0.074	13	109.4674	0.005	13	109.4660	0.004	63	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:C-4:H-1:	C-4:	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Pt)(CH3)2(H)	H(CCHH)	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Pt)(CH3)2(H)	H(CCHH)	109.4698	0.048	35	109.4698	0.002	35	109.4660	0.004	63	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:C-4:H-1:	C-4:	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Se)(CH3)2(H)	H(CCHH)	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Se)(CH3)2(H)	H(CCHH)	109.4462	0.039	4	109.4462	0.002	4	109.4660	0.004	63	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Ge[5]-4:C-4:C-4:H-1:	C-4:	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Zn)(CH3)2(H)	H(CCHH)	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Zn)(CH3)2(H)	H(CCHH)	109.4595	0.084	11	109.4595	0.007	11	109.4660	0.004	63	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	In-4:C-4:C-4:H-1:	C-4:	C(CInCH)(H)3	C(InCSS)(CH3)2(H)	H(CCHH)	C(CInCH)(H)3	C(InCSS)(CH3)2(H)	H(CCHH)	109.4918	0.037	6	109.4918	0.001	6	109.4918	0.001	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	In[6]-4:C-4:C-4:H-1:	C-4:	C(CIn[6]CH)(H)3	C(In[6]N[6]2I)(CH3)2(H)	H(CCHH)	C(CIn[6]CH)(H)3	C(In[6]N[6]2I)(CH3)2(H)	H(CCHH)	109.4780	0.021	3	109.4780	0.000	3	109.4780	0.000	3	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NAl2C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NAl2C)(CH3)2(H)	H(CCHH)	109.4678	0.032	6	109.4678	0.001	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NBCH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NBCH)(CH3)2(H)	H(CCHH)	109.4725	0.032	29	109.4725	0.001	29	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NBHH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NBHH)(CH3)2(H)	H(CCHH)	109.4748	0.027	5	109.4748	0.001	5	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NB[6]PdC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NB[6]PdC)(CH3)2(H)	H(CCHH)	109.4638	0.038	6	109.4638	0.001	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NBa2C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NBa2C)(CH3)2(H)	H(CCHH)	109.4606	0.051	9	109.4606	0.003	9	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCCH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCCH)(CH3)2(H)	H(CCHH)	109.5208	1.094	212	109.5208	1.197	212	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCHH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCHH)(CH3)2(H)	H(CCHH)	109.5596	0.635	704	109.5596	0.403	704	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[4]CH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[4]CH)(CH3)2(H)	H(CCHH)	109.4742	0.016	5	109.4742	0.000	5	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]HH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]HH)(CCHH)(CH3)(H)	H(CCHH)	109.4697	0.014	3	109.4697	0.000	3	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]HH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]HH)(CH3)2(H)	H(CCHH)	109.4617	0.025	9	109.4617	0.001	9	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]NiH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]NiH)(CCHH)(CH3)(H)	H(CCHH)	109.4808	0.019	6	109.4808	0.000	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6]ZnH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6]ZnH)(CCHH)(CH3)(H)	H(CCHH)	109.7367	0.401	6	109.7367	0.161	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]BH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]BH)(CH3)2(H)	H(CCHH)	109.4642	0.042	10	109.4642	0.002	10	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]CH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]CH)(CCHH)(CH3)(H)	H(CCHH)	109.4830	0.006	4	109.4830	0.000	4	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]CH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]CH)(CH3)2(H)	H(CCHH)	109.4793	0.045	10	109.4793	0.002	10	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]HH)(CCCH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]HH)(CCCH)(CH3)(H)	H(CCHH)	109.4537	0.025	3	109.4537	0.001	3	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NC[6a]PdH)(CCHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NC[6a]PdH)(CCHN)(CH3)(H)	H(CCHH)	109.4647	0.035	4	109.4647	0.001	4	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCdCH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCdCH)(CH3)2(H)	H(CCHH)	109.2610	0.425	6	109.2610	0.180	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoCC)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCC)(CCHH)(CH3)(H)	H(CCHH)	109.4631	0.059	11	109.4631	0.004	11	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCC)(CH3)2(H)	H(CCHH)	109.4591	0.032	10	109.4591	0.001	10	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoCC)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCC)(CHHN)(CH3)(H)	H(CCHH)	109.5050	0.028	2	109.5050	0.001	2	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCH)(CCHH)(CH3)(H)	H(CCHH)	109.4311	2.194	18	109.4311	4.813	18	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoCH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCoCH)(CH3)2(H)	H(CCHH)	109.4463	0.052	15	109.4463	0.003	15	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCoHH)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCoHH)(CHHN)(CH3)(H)	H(CCHH)	109.4540	0.070	6	109.4540	0.005	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCrCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCrCC)(CH3)2(H)	H(CCHH)	110.5120	2.478	27	110.5120	6.139	27	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCrCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCrCH)(CCHH)(CH3)(H)	H(CCHH)	109.4667	0.031	33	109.4667	0.001	33	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCrHH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCrHH)(CH3)2(H)	H(CCHH)	109.4801	0.027	7	109.4801	0.001	7	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCuCC)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCuCC)(CCHH)(CH3)(H)	H(CCHH)	110.4262	3.148	6	110.4262	9.909	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCuCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NCuCC)(CH3)2(H)	H(CCHH)	109.7670	1.379	137	109.7670	1.901	137	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCuCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCuCH)(CCHH)(CH3)(H)	H(CCHH)	109.3770	1.463	24	109.3770	2.141	24	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCuCH)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCuCH)(CHHN)(CH3)(H)	H(CCHH)	109.4742	0.042	6	109.4742	0.002	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NCuHH)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NCuHH)(CHHN)(CH3)(H)	H(CCHH)	109.4933	0.095	27	109.4933	0.009	27	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NFeCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NFeCC)(CH3)2(H)	H(CCHH)	109.4668	0.040	44	109.4668	0.002	44	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NFeCC)(CHHO)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NFeCC)(CHHO)(CH3)(H)	H(CCHH)	109.4667	0.033	3	109.4667	0.001	3	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NFeCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NFeCH)(CCHH)(CH3)(H)	H(CCHH)	109.4718	0.011	6	109.4718	0.000	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NIr2C)(CHHO)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NIr2C)(CHHO)(CH3)(H)	H(CCHH)	109.4280	0.123	3	109.4280	0.015	3	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NIrCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NIrCC)(CH3)2(H)	H(CCHH)	109.4915	0.041	17	109.4915	0.002	17	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLi2C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NLi2C)(CH3)2(H)	H(CCHH)	109.4756	0.030	21	109.4756	0.001	21	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLi2P)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NLi2P)(CH3)2(H)	H(CCHH)	109.4902	0.025	6	109.4902	0.001	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLiCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NLiCC)(CH3)2(H)	H(CCHH)	109.4645	0.043	25	109.4645	0.002	25	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLiMgC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NLiMgC)(CH3)2(H)	H(CCHH)	109.4729	0.034	13	109.4729	0.001	13	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLiNdC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NLiNdC)(CH3)2(H)	H(CCHH)	109.4531	0.051	16	109.4531	0.003	16	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMg2C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMg2C)(CH3)2(H)	H(CCHH)	109.4766	0.030	27	109.4766	0.001	27	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMgCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMgCC)(CH3)2(H)	H(CCHH)	111.2352	1.527	12	111.2352	2.332	12	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMnCC)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NMnCC)(CHHN)(CH3)(H)	H(CCHH)	109.4807	0.145	3	109.4807	0.021	3	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMnHH)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NMnHH)(CHHN)(CH3)(H)	H(CCHH)	109.4841	0.041	7	109.4841	0.002	7	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NMoSiH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NMoSiH)(CH3)2(H)	H(CCHH)	109.4704	0.030	5	109.4704	0.001	5	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiCC)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiCC)(CCHH)(CH3)(H)	H(CCHH)	109.4615	0.050	11	109.4615	0.003	11	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNiCC)(CH3)2(H)	H(CCHH)	109.4911	0.107	32	109.4911	0.011	32	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiCH)(CCHH)(CH3)(H)	H(CCHH)	109.4692	0.046	180	109.4692	0.002	180	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiCH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NNiCH)(CH3)2(H)	H(CCHH)	109.4674	0.037	12	109.4674	0.001	12	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiCH)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiCH)(CHHN)(CH3)(H)	H(CCHH)	109.4558	0.017	5	109.4558	0.000	5	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NNiHH)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NNiHH)(CHHN)(CH3)(H)	H(CCHH)	109.4939	0.098	44	109.4939	0.010	44	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NPd2P)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NPd2P)(CH3)2(H)	H(CCHH)	109.4737	0.048	24	109.4737	0.002	24	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NPdCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NPdCC)(CH3)2(H)	H(CCHH)	109.4708	0.039	54	109.4708	0.002	54	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NPdCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NPdCH)(CCHH)(CH3)(H)	H(CCHH)	109.5067	0.052	3	109.5067	0.003	3	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NPdCH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NPdCH)(CH3)2(H)	H(CCHH)	109.4716	0.045	17	109.4716	0.002	17	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NPtCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NPtCH)(CCHH)(CH3)(H)	H(CCHH)	109.5079	0.898	7	109.5079	0.806	7	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NPtHH)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NPtHH)(CH3)2(H)	H(CCHH)	109.4584	0.034	11	109.4584	0.001	11	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRhCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NRhCC)(CH3)2(H)	H(CCHH)	109.4709	0.034	17	109.4709	0.001	17	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRhCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NRhCH)(CCHH)(CH3)(H)	H(CCHH)	109.4764	0.040	5	109.4764	0.002	5	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRu2C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NRu2C)(CH3)2(H)	H(CCHH)	109.6820	1.383	44	109.6820	1.914	44	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRuCH)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NRuCH)(CCHH)(CH3)(H)	H(CCHH)	109.4250	0.006	2	109.4250	0.000	2	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NRuHH)(CHHP)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NRuHH)(CHHP)(CH3)(H)	H(CCHH)	109.4913	0.729	6	109.4913	0.531	6	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NSr2C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NSr2C)(CH3)2(H)	H(CCHH)	109.4849	0.039	7	109.4849	0.002	7	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZn2C)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NZn2C)(CH3)2(H)	H(CCHH)	109.4642	0.124	33	109.4642	0.015	33	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZnCC)(CCHH)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NZnCC)(CCHH)(CH3)(H)	H(CCHH)	109.4843	0.024	3	109.4843	0.001	3	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZnCC)(CH3)2(H)	H(CCHH)	C(CCHN)(H)3	C(NZnCC)(CH3)2(H)	H(CCHH)	109.4740	0.057	22	109.4740	0.003	22	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NZnHH)(CHHN)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NZnHH)(CHHN)(CH3)(H)	H(CCHH)	109.4874	0.045	7	109.4874	0.002	7	109.5543	0.629	2120	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[3,5]-4:C-4:C-4:H-1:	C-4:	C(CN[3,5]CH)(H)3	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	H(CCHH)	C(CN[3,5]CH)(H)3	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	H(CCHH)	109.4750	0.014	4	109.4750	0.000	4	109.4750	0.000	4	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5,5]-4:C-4:C-4:H-1:	C-4:	C(CN[5,5]CH)(H)3	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	H(CCHH)	C(CN[5,5]CH)(H)3	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	H(CCHH)	109.4768	0.034	5	109.4768	0.001	5	109.4768	0.001	5	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	H(CCHH)	109.4747	0.022	3	109.4747	0.000	3	109.4595	0.001	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	H(CCHH)	109.4597	0.041	3	109.4597	0.002	3	109.4595	0.001	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(H)3	C(N[5]C[5]O[5]C)(CH3)2(H)	H(CCHH)	C(CN[5]CH)(H)3	C(N[5]C[5]O[5]C)(CH3)2(H)	H(CCHH)	109.4504	0.019	5	109.4504	0.000	5	109.4595	0.001	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]B[6]C[6]C)(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]B[6]C[6]C)(CH3)2(H)	H(CCHH)	109.4788	0.028	6	109.4788	0.001	6	109.4722	0.001	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2C)(CH3)2(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2C)(CH3)2(H)	H(CCHH)	109.4694	0.029	9	109.4694	0.001	9	109.4722	0.001	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(H)3	C(N[6]C[6]2H)(CCHH)(CH3)(H)	H(CCHH)	C(CN[6]CH)(H)3	C(N[6]C[6]2H)(CCHH)(CH3)(H)	H(CCHH)	109.4670	0.035	3	109.4670	0.001	3	109.4722	0.001	18	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OLiZn2)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OLiZn2)(CH3)2(H)	H(CCHH)	109.4624	0.049	13	109.4624	0.002	13	109.4641	0.002	26	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OTi3)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OTi3)(CH3)2(H)	H(CCHH)	109.4786	0.043	9	109.4786	0.002	9	109.4641	0.002	26	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:H-1:	C-4:	C(CCHO)(H)3	C(OZn3)(CH3)2(H)	H(CCHH)	C(CCHO)(H)3	C(OZn3)(CH3)2(H)	H(CCHH)	109.4373	0.059	4	109.4373	0.003	4	109.4641	0.002	26	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PAgCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PAgCC)(CH3)2(H)	H(CCHH)	109.4541	0.044	11	109.4541	0.002	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PAlCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PAlCC)(CH3)2(H)	H(CCHH)	109.4755	0.028	13	109.4755	0.001	13	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PAsCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PAsCC)(CH3)2(H)	H(CCHH)	109.4864	0.040	7	109.4864	0.002	7	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PAsCW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PAsCW)(CH3)2(H)	H(CCHH)	109.4845	0.048	13	109.4845	0.002	13	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PAuCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PAuCC)(CH3)2(H)	H(CCHH)	109.4440	1.325	32	109.4440	1.757	32	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PBCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PBCC)(CH3)2(H)	H(CCHH)	110.1398	1.298	43	110.1398	1.684	43	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PBCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PBCN)(CH3)2(H)	H(CCHH)	109.4687	0.038	37	109.4687	0.001	37	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	H(CCHH)	109.4755	0.017	6	109.4755	0.000	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PBrCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PBrCC)(CH3)2(H)	H(CCHH)	109.4741	0.030	17	109.4741	0.001	17	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCH)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCH)(CH3)2(H)	H(CCHH)	109.4836	0.043	19	109.4836	0.002	19	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCI)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCI)(CH3)2(H)	H(CCHH)	109.4945	0.146	30	109.4945	0.021	30	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCN)(CH3)2(H)	H(CCHH)	109.4758	0.048	128	109.4758	0.002	128	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCO)(CH3)2(H)	H(CCHH)	109.4689	0.028	15	109.4689	0.001	15	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCP)(CH3)2(H)	H(CCHH)	111.3261	3.652	17	111.3261	13.336	17	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCS)(CH3)2(H)	H(CCHH)	109.5188	0.963	57	109.5188	0.928	57	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCU)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCU)(CH3)2(H)	H(CCHH)	109.4756	0.093	46	109.4756	0.009	46	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCW)(CH3)2(H)	H(CCHH)	109.4770	0.080	163	109.4770	0.006	163	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCHN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCHN)(CH3)2(H)	H(CCHH)	109.4652	0.029	15	109.4652	0.001	15	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCII)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCII)(CH3)2(H)	H(CCHH)	109.4626	0.060	23	109.4626	0.004	23	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCIN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCIN)(CH3)2(H)	H(CCHH)	109.4786	0.055	9	109.4786	0.003	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCNN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCNN)(CH3)2(H)	H(CCHH)	109.5151	2.868	28	109.5151	8.226	28	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCNO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCNO)(CH3)2(H)	H(CCHH)	109.4718	0.036	37	109.4718	0.001	37	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCNP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCNP)(CH3)2(H)	H(CCHH)	109.4628	0.028	6	109.4628	0.001	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCNS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCNS)(CH3)2(H)	H(CCHH)	109.4643	0.107	497	109.4643	0.012	497	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCNV)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCNV)(CH3)2(H)	H(CCHH)	109.5536	0.596	11	109.5536	0.355	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCNW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCNW)(CH3)2(H)	H(CCHH)	109.4640	0.022	6	109.4640	0.000	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCOW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCOW)(CH3)2(H)	H(CCHH)	109.4777	0.029	9	109.4777	0.001	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCPW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCPW)(CH3)2(H)	H(CCHH)	109.4110	0.129	21	109.4110	0.017	21	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCSS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCSS)(CH3)2(H)	H(CCHH)	109.5041	0.846	30	109.5041	0.716	30	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[3x3,3x5,12x6]AuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[3x3,3x5,12x6]AuC)(CH3)2(H)	H(CCHH)	109.4704	0.034	10	109.4704	0.001	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	H(CCHH)	109.4571	0.036	8	109.4571	0.001	8	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]AgC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]AgC)(CH3)2(H)	H(CCHH)	109.4708	0.062	26	109.4708	0.004	26	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]CuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]CuC)(CH3)2(H)	H(CCHH)	109.4725	0.058	10	109.4725	0.003	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]RhC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]RhC)(CH3)2(H)	H(CCHH)	109.4607	0.062	15	109.4607	0.004	15	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[4,4]CS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[4,4]CS)(CH3)2(H)	H(CCHH)	109.4652	0.052	13	109.4652	0.003	13	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]AuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]AuC)(CH3)2(H)	H(CCHH)	109.4658	0.042	28	109.4658	0.002	28	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]CC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]CC)(CH3)2(H)	H(CCHH)	109.4471	0.043	9	109.4471	0.002	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]CN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]CN)(CH3)2(H)	H(CCHH)	109.4715	0.036	120	109.4715	0.001	120	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]CS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]CS)(CH3)2(H)	H(CCHH)	109.4669	0.041	77	109.4669	0.002	77	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]CW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]CW)(CH3)2(H)	H(CCHH)	109.4969	0.066	10	109.4969	0.004	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]CoC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]CoC)(CH3)2(H)	H(CCHH)	109.4860	0.065	9	109.4860	0.004	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]CuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]CuC)(CH3)2(H)	H(CCHH)	111.3763	2.165	23	111.3763	4.687	23	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]FeC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]FeC)(CH3)2(H)	H(CCHH)	109.4699	0.045	11	109.4699	0.002	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]IrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]IrC)(CH3)2(H)	H(CCHH)	109.4812	0.050	87	109.4812	0.002	87	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]MnC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]MnC)(CH3)2(H)	H(CCHH)	109.4547	0.109	15	109.4547	0.012	15	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]MoC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]MoC)(CH3)2(H)	H(CCHH)	109.4686	0.035	9	109.4686	0.001	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]NiC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]NiC)(CH3)2(H)	H(CCHH)	109.4711	0.029	10	109.4711	0.001	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]PdC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]PdC)(CH3)2(H)	H(CCHH)	109.6077	0.708	92	109.6077	0.501	92	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]PtC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]PtC)(CH3)2(H)	H(CCHH)	109.4692	0.050	64	109.4692	0.002	64	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]ReC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]ReC)(CH3)2(H)	H(CCHH)	109.4582	0.056	37	109.4582	0.003	37	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]RhC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]RhC)(CH3)2(H)	H(CCHH)	109.7427	0.890	114	109.7427	0.792	114	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]RuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]RuC)(CH3)2(H)	H(CCHH)	109.8167	1.987	234	109.8167	3.947	234	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5a]CN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5a]CN)(CH3)2(H)	H(CCHH)	109.4738	0.039	42	109.4738	0.002	42	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5a]IrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5a]IrC)(CH3)2(H)	H(CCHH)	109.4639	0.062	133	109.4639	0.004	133	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5a]NiC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5a]NiC)(CH3)2(H)	H(CCHH)	109.4733	0.008	3	109.4733	0.000	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5a]PdC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5a]PdC)(CH3)2(H)	H(CCHH)	110.1208	2.325	49	110.1208	5.404	49	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5a]PtC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5a]PtC)(CH3)2(H)	H(CCHH)	109.5388	0.099	10	109.5388	0.010	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5a]RhC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5a]RhC)(CH3)2(H)	H(CCHH)	109.4745	0.006	2	109.4745	0.000	2	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5a]RuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5a]RuC)(CH3)2(H)	H(CCHH)	109.4578	0.037	10	109.4578	0.001	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]CY)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]CY)(CH3)2(H)	H(CCHH)	109.4733	0.053	18	109.4733	0.003	18	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]FeC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]FeC)(CH3)2(H)	H(CCHH)	109.4734	0.050	17	109.4734	0.002	17	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]IrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]IrC)(CH3)2(H)	H(CCHH)	109.4814	0.066	26	109.4814	0.004	26	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]PdC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]PdC)(CH3)2(H)	H(CCHH)	109.4778	0.051	9	109.4778	0.003	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]ScC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]ScC)(CH3)2(H)	H(CCHH)	109.4725	0.008	2	109.4725	0.000	2	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]TiC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]TiC)(CH3)2(H)	H(CCHH)	110.3245	2.910	53	110.3245	8.471	53	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6]ZrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6]ZrC)(CH3)2(H)	H(CCHH)	109.4733	0.034	7	109.4733	0.001	7	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2B)(CBHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2B)(CBHH)(CH3)(H)	H(CCHH)	109.4737	0.044	3	109.4737	0.002	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2B)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2B)(CH3)2(H)	H(CCHH)	109.4451	0.068	11	109.4451	0.005	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Co)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Co)(CCHH)(CH3)(H)	H(CCHH)	109.4600	0.027	6	109.4600	0.001	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Co)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Co)(CH3)2(H)	H(CCHH)	109.4761	0.031	7	109.4761	0.001	7	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Cr)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Cr)(CCHH)(CH3)(H)	H(CCHH)	109.4780	0.028	5	109.4780	0.001	5	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Cr)(CCHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Cr)(CCHP)(CH3)(H)	H(CCHH)	109.4515	0.087	24	109.4515	0.008	24	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Cu)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Cu)(CH3)2(H)	H(CCHH)	109.4550	0.041	9	109.4550	0.002	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Fe)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Fe)(CH3)2(H)	H(CCHH)	109.4618	0.071	5	109.4618	0.005	5	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Fe)(CHHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Fe)(CHHP)(CH3)(H)	H(CCHH)	109.4698	0.037	35	109.4698	0.001	35	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Ir)(CHHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Ir)(CHHP)(CH3)(H)	H(CCHH)	109.4558	0.062	6	109.4558	0.004	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Mo)(CCHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Mo)(CCHP)(CH3)(H)	H(CCHH)	109.5023	0.033	4	109.5023	0.001	4	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Mo)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Mo)(CH3)2(H)	H(CCHH)	109.4744	0.033	5	109.4744	0.001	5	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Ni)(CCHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Ni)(CCHP)(CH3)(H)	H(CCHH)	109.4800	0.022	4	109.4800	0.000	4	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2O)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2O)(CCHH)(CH3)(H)	H(CCHH)	109.4873	0.042	3	109.4873	0.002	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2O)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2O)(CH3)2(H)	H(CCHH)	109.4722	0.036	9	109.4722	0.001	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Pd)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Pd)(CCHH)(CH3)(H)	H(CCHH)	109.6873	0.734	12	109.6873	0.539	12	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Pd)(CCHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Pd)(CCHP)(CH3)(H)	H(CCHH)	109.4941	0.039	15	109.4941	0.002	15	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Pd)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Pd)(CH3)2(H)	H(CCHH)	109.4553	0.064	6	109.4553	0.004	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHH)	109.4830	0.043	14	109.4830	0.002	14	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Pt)(CCHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Pt)(CCHP)(CH3)(H)	H(CCHH)	109.4676	0.042	5	109.4676	0.002	5	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Pt)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Pt)(CH3)2(H)	H(CCHH)	109.4760	0.054	6	109.4760	0.003	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Rh)(CHHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Rh)(CHHP)(CH3)(H)	H(CCHH)	109.4664	0.067	9	109.4664	0.004	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Ru)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Ru)(CCHH)(CH3)(H)	H(CCHH)	109.4919	0.047	15	109.4919	0.002	15	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Ru)(CCHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Ru)(CCHP)(CH3)(H)	H(CCHH)	109.4916	0.069	26	109.4916	0.005	26	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Ru)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Ru)(CH3)2(H)	H(CCHH)	109.4447	0.045	9	109.4447	0.002	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2Ru)(CHHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2Ru)(CHHP)(CH3)(H)	H(CCHH)	109.4536	0.079	17	109.4536	0.006	17	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2S)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2S)(CCHH)(CH3)(H)	H(CCHH)	109.4813	0.041	6	109.4813	0.002	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2S)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2S)(CH3)2(H)	H(CCHH)	109.4531	0.044	11	109.4531	0.002	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]3)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]3)(CH3)2(H)	H(CCHH)	109.4576	0.049	12	109.4576	0.002	12	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]AgC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]AgC)(CH3)2(H)	H(CCHH)	109.4634	0.090	39	109.4634	0.008	39	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]AlC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]AlC)(CH3)2(H)	H(CCHH)	109.4569	0.502	138	109.4569	0.252	138	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]AuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]AuC)(CH3)2(H)	H(CCHH)	109.4629	0.067	127	109.4629	0.004	127	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]BC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]BC)(CH3)2(H)	H(CCHH)	109.4709	0.031	20	109.4709	0.001	20	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CC)(CH3)2(H)	H(CCHH)	109.4811	0.037	54	109.4811	0.001	54	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CH)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CH)(CH3)2(H)	H(CCHH)	109.4686	0.055	38	109.4686	0.003	38	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CO)(CH3)2(H)	H(CCHH)	109.4654	0.042	64	109.4654	0.002	64	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CS)(CH3)2(H)	H(CCHH)	109.5426	0.566	121	109.5426	0.321	121	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CV)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CV)(CH3)2(H)	H(CCHH)	110.1710	1.457	56	110.1710	2.124	56	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CW)(CH3)2(H)	H(CCHH)	109.4643	0.059	31	109.4643	0.003	31	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CY)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CY)(CH3)2(H)	H(CCHH)	109.4772	0.058	15	109.4772	0.003	15	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	H(CCHH)	109.8060	3.495	3	109.8060	12.215	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CoC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CoC)(CH3)2(H)	H(CCHH)	109.5745	0.745	306	109.5745	0.556	306	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CrC)(CH3)2(H)	H(CCHH)	109.4678	0.021	21	109.4678	0.000	21	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]CuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]CuC)(CH3)2(H)	H(CCHH)	109.4707	0.044	171	109.4707	0.002	171	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]FeC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]FeC)(CH3)2(H)	H(CCHH)	109.6064	0.656	691	109.6064	0.430	691	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]HfC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]HfC)(CH3)2(H)	H(CCHH)	109.4627	0.019	6	109.4627	0.000	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]IrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]IrC)(CH3)2(H)	H(CCHH)	109.4690	0.060	802	109.4690	0.004	802	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]IrC)(CIrHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]IrC)(CIrHH)(CH3)(H)	H(CCHH)	109.4503	0.036	3	109.4503	0.001	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]MnC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]MnC)(CH3)2(H)	H(CCHH)	109.7666	1.442	42	109.7666	2.079	42	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]MoC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]MoC)(CH3)2(H)	H(CCHH)	109.8307	1.216	229	109.8307	1.479	229	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]NiC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]NiC)(CH3)2(H)	H(CCHH)	109.6793	0.881	1186	109.6793	0.776	1186	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]OO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]OO)(CH3)2(H)	H(CCHH)	109.5043	0.028	3	109.5043	0.001	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]OsC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]OsC)(CH3)2(H)	H(CCHH)	110.1251	1.586	273	110.1251	2.516	273	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]PbC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]PbC)(CH3)2(H)	H(CCHH)	109.4647	0.049	13	109.4647	0.002	13	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]PdC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]PdC)(CH3)2(H)	H(CCHH)	109.5002	0.436	1211	109.5002	0.190	1211	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]PdC)(CHHP)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]PdC)(CHHP)(CH3)(H)	H(CCHH)	109.4373	0.047	9	109.4373	0.002	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]PdF)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]PdF)(CH3)2(H)	H(CCHH)	109.5433	0.085	6	109.5433	0.007	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]PdO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]PdO)(CH3)2(H)	H(CCHH)	109.4907	0.028	4	109.4907	0.001	4	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]PtC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]PtC)(CH3)2(H)	H(CCHH)	109.4678	0.056	322	109.4678	0.003	322	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]ReC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]ReC)(CH3)2(H)	H(CCHH)	109.4699	0.046	27	109.4699	0.002	27	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]RhC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]RhC)(CH3)2(H)	H(CCHH)	109.4696	0.054	433	109.4696	0.003	433	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]RuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]RuC)(CH3)2(H)	H(CCHH)	109.4643	0.062	167	109.4643	0.004	167	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]ScC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]ScC)(CH3)2(H)	H(CCHH)	109.4687	0.006	3	109.4687	0.000	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]SeC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]SeC)(CH3)2(H)	H(CCHH)	109.4757	0.040	43	109.4757	0.002	43	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]SnC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]SnC)(CH3)2(H)	H(CCHH)	109.4698	0.038	50	109.4698	0.001	50	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]TeC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]TeC)(CH3)2(H)	H(CCHH)	109.4779	0.034	14	109.4779	0.001	14	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]TiC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]TiC)(CH3)2(H)	H(CCHH)	110.2766	1.899	57	110.2766	3.605	57	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]ZnC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]ZnC)(CH3)2(H)	H(CCHH)	109.4800	0.155	67	109.4800	0.024	67	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PClCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PClCN)(CH3)2(H)	H(CCHH)	109.4804	0.068	7	109.4804	0.005	7	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PClRhC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PClRhC)(CH3)2(H)	H(CCHH)	109.4743	0.027	6	109.4743	0.001	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCoCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCoCC)(CH3)2(H)	H(CCHH)	109.4712	0.049	552	109.4712	0.002	552	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCoCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCoCN)(CH3)2(H)	H(CCHH)	109.6172	0.750	165	109.6172	0.563	165	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCrCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCrCC)(CH3)2(H)	H(CCHH)	109.4743	0.041	84	109.4743	0.002	84	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCrCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCrCN)(CH3)2(H)	H(CCHH)	109.9835	1.196	54	109.9835	1.430	54	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCuCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCuCC)(CH3)2(H)	H(CCHH)	109.4684	0.045	282	109.4684	0.002	282	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCuCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCuCN)(CH3)2(H)	H(CCHH)	109.4769	0.025	16	109.4769	0.001	16	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCuCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCuCO)(CH3)2(H)	H(CCHH)	109.4833	0.042	14	109.4833	0.002	14	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PFeCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PFeCC)(CH3)2(H)	H(CCHH)	109.5690	0.872	626	109.5690	0.760	626	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PFeCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PFeCN)(CH3)2(H)	H(CCHH)	109.7146	0.912	305	109.7146	0.831	305	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PFeCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PFeCO)(CH3)2(H)	H(CCHH)	109.4692	0.042	122	109.4692	0.002	122	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PGaCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PGaCC)(CH3)2(H)	H(CCHH)	109.4833	0.025	6	109.4833	0.001	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PIn[5]CN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PIn[5]CN)(CH3)2(H)	H(CCHH)	109.4461	0.067	13	109.4461	0.004	13	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PIr2C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PIr2C)(CH3)2(H)	H(CCHH)	109.4745	0.045	13	109.4745	0.002	13	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PIrCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PIrCC)(CH3)2(H)	H(CCHH)	109.4881	0.389	922	109.4881	0.151	922	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PIrCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PIrCN)(CH3)2(H)	H(CCHH)	109.6347	0.588	91	109.6347	0.345	91	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PIrCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PIrCO)(CH3)2(H)	H(CCHH)	109.4712	0.109	251	109.4712	0.012	251	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PIrCS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PIrCS)(CH3)2(H)	H(CCHH)	109.4849	0.035	10	109.4849	0.001	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PLiCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PLiCC)(CH3)2(H)	H(CCHH)	109.4739	0.041	39	109.4739	0.002	39	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMgCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMgCN)(CH3)2(H)	H(CCHH)	109.4776	0.049	14	109.4776	0.002	14	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMnCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMnCC)(CH3)2(H)	H(CCHH)	109.4771	0.034	147	109.4771	0.001	147	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMoCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMoCC)(CH3)2(H)	H(CCHH)	109.4757	0.425	133	109.4757	0.181	133	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMoCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMoCN)(CH3)2(H)	H(CCHH)	109.4719	0.040	100	109.4719	0.002	100	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMoCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMoCO)(CH3)2(H)	H(CCHH)	109.4675	0.047	10	109.4675	0.002	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMoCP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMoCP)(CH3)2(H)	H(CCHH)	109.4765	0.047	13	109.4765	0.002	13	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PMoSiH)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PMoSiH)(CH3)2(H)	H(CCHH)	109.4416	0.039	5	109.4416	0.002	5	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[5a]CuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[5a]CuC)(CH3)2(H)	H(CCHH)	109.4608	0.018	6	109.4608	0.000	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[5a]NiC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[5a]NiC)(CH3)2(H)	H(CCHH)	109.4614	0.032	16	109.4614	0.001	16	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[5a]PdC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[5a]PdC)(CH3)2(H)	H(CCHH)	109.4714	0.027	7	109.4714	0.001	7	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[5a]PtC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[5a]PtC)(CH3)2(H)	H(CCHH)	109.4707	0.020	4	109.4707	0.000	4	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[5a]RuC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[5a]RuC)(CH3)2(H)	H(CCHH)	109.4735	0.051	26	109.4735	0.003	26	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[6]IrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[6]IrC)(CH3)2(H)	H(CCHH)	109.4656	0.037	9	109.4656	0.001	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[6]NiC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[6]NiC)(CH3)2(H)	H(CCHH)	109.4613	0.034	6	109.4613	0.001	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PN[6]PdC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PN[6]PdC)(CH3)2(H)	H(CCHH)	109.4649	0.032	9	109.4649	0.001	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PNi2C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PNi2C)(CH3)2(H)	H(CCHH)	109.4874	0.073	10	109.4874	0.005	10	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PNiCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PNiCC)(CH3)2(H)	H(CCHH)	109.5252	0.526	2063	109.5252	0.277	2063	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PNiCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PNiCN)(CH3)2(H)	H(CCHH)	109.4792	0.264	171	109.4792	0.070	171	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PNiCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PNiCO)(CH3)2(H)	H(CCHH)	109.5344	0.503	962	109.5344	0.253	962	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PNiCS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PNiCS)(CH3)2(H)	H(CCHH)	109.4757	0.039	12	109.4757	0.002	12	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(POsCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(POsCC)(CH3)2(H)	H(CCHH)	109.5094	0.577	1692	109.5094	0.333	1692	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPd2C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPd2C)(CH3)2(H)	H(CCHH)	109.4693	0.021	4	109.4693	0.000	4	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPdCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPdCC)(CH3)2(H)	H(CCHH)	109.4891	0.440	557	109.4891	0.193	557	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPdCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPdCN)(CH3)2(H)	H(CCHH)	109.4718	0.045	118	109.4718	0.002	118	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPdCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPdCO)(CH3)2(H)	H(CCHH)	109.5504	1.071	379	109.5504	1.147	379	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPdNN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPdNN)(CH3)2(H)	H(CCHH)	109.4732	0.024	6	109.4732	0.001	6	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPt2C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPt2C)(CH3)2(H)	H(CCHH)	109.4860	0.035	7	109.4860	0.001	7	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPtCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPtCC)(CH3)2(H)	H(CCHH)	109.4765	0.206	668	109.4765	0.042	668	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPtCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPtCN)(CH3)2(H)	H(CCHH)	109.4797	0.042	39	109.4797	0.002	39	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPtCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPtCO)(CH3)2(H)	H(CCHH)	109.4668	0.064	57	109.4668	0.004	57	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPtCP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPtCP)(CH3)2(H)	H(CCHH)	109.5011	0.055	9	109.5011	0.003	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PReCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PReCC)(CH3)2(H)	H(CCHH)	109.4752	0.057	113	109.4752	0.003	113	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PReCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PReCN)(CH3)2(H)	H(CCHH)	109.4668	0.031	11	109.4668	0.001	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PReCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PReCO)(CH3)2(H)	H(CCHH)	109.4624	0.052	16	109.4624	0.003	16	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRhCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRhCC)(CH3)2(H)	H(CCHH)	109.7070	1.303	748	109.7070	1.698	748	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRhCH)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRhCH)(CH3)2(H)	H(CCHH)	109.4778	0.052	9	109.4778	0.003	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRhCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRhCN)(CH3)2(H)	H(CCHH)	110.2472	1.235	11	110.2472	1.526	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRhCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRhCO)(CH3)2(H)	H(CCHH)	109.4677	0.051	148	109.4677	0.003	148	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRhCS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRhCS)(CH3)2(H)	H(CCHH)	109.4773	0.035	11	109.4773	0.001	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRuCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRuCC)(CH3)2(H)	H(CCHH)	109.7152	1.248	1295	109.7152	1.558	1295	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRuCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRuCN)(CH3)2(H)	H(CCHH)	109.4679	0.053	223	109.4679	0.003	223	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRuCO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRuCO)(CH3)2(H)	H(CCHH)	109.4728	0.043	221	109.4728	0.002	221	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRuCS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRuCS)(CH3)2(H)	H(CCHH)	109.4794	0.054	25	109.4794	0.003	25	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PScCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PScCC)(CH3)2(H)	H(CCHH)	109.4750	0.010	4	109.4750	0.000	4	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PScCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PScCN)(CH3)2(H)	H(CCHH)	109.4794	0.034	11	109.4794	0.001	11	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSe2C)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSe2C)(CH3)2(H)	H(CCHH)	109.4653	0.041	18	109.4653	0.002	18	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSeCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSeCC)(CH3)2(H)	H(CCHH)	109.7745	1.644	117	109.7745	2.704	117	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSeCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSeCN)(CH3)2(H)	H(CCHH)	109.5177	0.724	298	109.5177	0.525	298	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSeOO)(CCHH)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PSeOO)(CCHH)(CH3)(H)	H(CCHH)	109.4987	0.049	3	109.4987	0.002	3	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSnCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSnCN)(CH3)2(H)	H(CCHH)	109.4769	0.049	30	109.4769	0.002	30	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PTeCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PTeCN)(CH3)2(H)	H(CCHH)	109.4749	0.058	246	109.4749	0.003	246	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PThCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PThCC)(CH3)2(H)	H(CCHH)	109.4701	0.064	52	109.4701	0.004	52	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PTiCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PTiCC)(CH3)2(H)	H(CCHH)	109.4771	0.042	35	109.4771	0.002	35	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PTiCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PTiCN)(CH3)2(H)	H(CCHH)	110.1718	1.553	103	110.1718	2.411	103	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PTiCP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PTiCP)(CH3)2(H)	H(CCHH)	109.4736	0.040	8	109.4736	0.002	8	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PZnCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PZnCC)(CH3)2(H)	H(CCHH)	109.4740	0.034	9	109.4740	0.001	9	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PZnCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PZnCN)(CH3)2(H)	H(CCHH)	109.4749	0.043	56	109.4749	0.002	56	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PZrCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PZrCC)(CH3)2(H)	H(CCHH)	109.4671	0.058	46	109.4671	0.003	46	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PZrCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PZrCN)(CH3)2(H)	H(CCHH)	110.4730	1.327	36	110.4730	1.760	36	109.5619	0.544	24662	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:H-1:	C-4:	C(CHPP)(H)3	C(PC[6a]2Cr)2(CH3)(H)	H(CCHH)	C(CHPP)(H)3	C(PC[6a]2Cr)2(CH3)(H)	H(CCHH)	109.4500	0.013	3	109.4500	0.000	3	109.4696	0.001	12	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:H-1:	C-4:	C(CHPP)(H)3	C(PC[6a]2Ru)2(CH3)(H)	H(CCHH)	C(CHPP)(H)3	C(PC[6a]2Ru)2(CH3)(H)	H(CCHH)	109.4761	0.033	9	109.4761	0.001	9	109.4696	0.001	12	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[3]-4:C-4:C-4:H-1:	C-4:	C(CP[3]CH)(H)3	C(P[3]C[3]2Mo)(CH3)2(H)	H(CCHH)	C(CP[3]CH)(H)3	C(P[3]C[3]2Mo)(CH3)2(H)	H(CCHH)	109.4718	0.030	4	109.4718	0.001	4	109.4718	0.001	4	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[4,4]-4:C-4:C-4:H-1:	C-4:	C(CP[4,4]CH)(H)3	C(P[4,4]B[3x4]2C)(CH3)2(H)	H(CCHH)	C(CP[4,4]CH)(H)3	C(P[4,4]B[3x4]2C)(CH3)2(H)	H(CCHH)	109.4630	0.044	10	109.4630	0.002	10	109.4629	0.002	19	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[4,4]-4:C-4:C-4:H-1:	C-4:	C(CP[4,4]CH)(H)3	C(P[4,4]P[3,4,4]2Cl)(CH3)2(H)	H(CCHH)	C(CP[4,4]CH)(H)3	C(P[4,4]P[3,4,4]2Cl)(CH3)2(H)	H(CCHH)	109.4628	0.038	9	109.4628	0.001	9	109.4629	0.002	19	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:H-1:	C-4:	C(CP[4]CH)(H)3	C(P[4]B[4]2C)(CH3)2(H)	H(CCHH)	C(CP[4]CH)(H)3	C(P[4]B[4]2C)(CH3)2(H)	H(CCHH)	109.4684	0.036	35	109.4684	0.001	35	109.4724	0.002	55	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:H-1:	C-4:	C(CP[4]CH)(H)3	C(P[4]C[4,4]N[4]C)(CH3)2(H)	H(CCHH)	C(CP[4]CH)(H)3	C(P[4]C[4,4]N[4]C)(CH3)2(H)	H(CCHH)	109.4718	0.046	13	109.4718	0.002	13	109.4724	0.002	55	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:H-1:	C-4:	C(CP[4]CH)(H)3	C(P[4]C[4,6,6]N[4]C)(CH3)2(H)	H(CCHH)	C(CP[4]CH)(H)3	C(P[4]C[4,6,6]N[4]C)(CH3)2(H)	H(CCHH)	109.4934	0.054	7	109.4934	0.003	7	109.4724	0.002	55	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]B[5]N[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]B[5]N[5]C)(CH3)2(H)	H(CCHH)	109.4661	0.033	10	109.4661	0.001	10	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	H(CCHH)	109.4661	0.022	15	109.4661	0.000	15	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]2O)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]2O)(CH3)2(H)	H(CCHH)	109.4743	0.036	6	109.4743	0.001	6	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	H(CCHH)	109.4732	0.053	18	109.4732	0.003	18	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	H(CCHH)	109.4775	0.024	6	109.4775	0.001	6	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	H(CCHH)	109.5853	0.827	55	109.5853	0.683	55	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	H(CCHH)	109.4671	0.031	37	109.4671	0.001	37	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	H(CCHH)	109.4988	0.064	11	109.4988	0.004	11	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	H(CCHH)	109.8511	1.001	46	109.8511	1.001	46	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	H(CCHH)	109.4734	0.065	14	109.4734	0.004	14	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	H(CCHH)	109.4735	0.044	75	109.4735	0.002	75	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	H(CCHH)	109.4651	0.048	8	109.4651	0.002	8	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5]2Pd)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5]2Pd)(CH3)2(H)	H(CCHH)	109.4525	0.039	8	109.4525	0.002	8	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5]2S)(CCHH)(CH3)(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5]2S)(CCHH)(CH3)(H)	H(CCHH)	109.4727	0.058	13	109.4727	0.003	13	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]C[5]N[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]C[5]N[5]C)(CH3)2(H)	H(CCHH)	109.4736	0.038	23	109.4736	0.001	23	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]In[5]N[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]In[5]N[5]C)(CH3)2(H)	H(CCHH)	109.4914	0.057	14	109.4914	0.003	14	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]N[5]P[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]N[5]P[5]C)(CH3)2(H)	H(CCHH)	109.4693	0.028	10	109.4693	0.001	10	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]N[5]S[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]N[5]S[5]C)(CH3)2(H)	H(CCHH)	109.4597	0.046	14	109.4597	0.002	14	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	H(CCHH)	109.9484	1.903	24	109.9484	3.622	24	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]P[4,5]C[5]O)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]P[4,5]C[5]O)(CH3)2(H)	H(CCHH)	109.4873	0.025	3	109.4873	0.001	3	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]Se[5]C[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]Se[5]C[5]C)(CH3)2(H)	H(CCHH)	109.4754	0.027	8	109.4754	0.001	8	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(H)3	C(P[5]Se[5]N[5]C)(CH3)2(H)	H(CCHH)	C(CP[5]CH)(H)3	C(P[5]Se[5]N[5]C)(CH3)2(H)	H(CCHH)	109.4666	0.038	12	109.4666	0.001	12	109.5538	0.410	430	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:Se-1:	C-4:	C(CP[5]SeC)(H)3	C(P[5]C[5,6a]C[6a]O[5])(CH3)2(Se)	H(CCHH)	C(CP[5]SeC)(H)3	C(P[5]C[5,6a]C[6a]O[5])(CH3)2(Se)	H(CCHH)	108.2835	2.463	6	108.2835	6.066	6	108.2835	6.066	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6,6]-4:C-4:C-4:H-1:	C-4:	C(CP[6,6]CH)(H)3	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	H(CCHH)	C(CP[6,6]CH)(H)3	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	H(CCHH)	109.4694	0.040	10	109.4694	0.002	10	109.4694	0.002	10	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:H-1:	C-4:	C(CP[6]CH)(H)3	C(P[6]B[6]N[6]C)(CH3)2(H)	H(CCHH)	C(CP[6]CH)(H)3	C(P[6]B[6]N[6]C)(CH3)2(H)	H(CCHH)	109.4596	0.042	10	109.4596	0.002	10	109.4689	0.003	100	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:H-1:	C-4:	C(CP[6]CH)(H)3	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	H(CCHH)	C(CP[6]CH)(H)3	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	H(CCHH)	109.4751	0.040	31	109.4751	0.002	31	109.4689	0.003	100	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:H-1:	C-4:	C(CP[6]CH)(H)3	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	H(CCHH)	C(CP[6]CH)(H)3	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	H(CCHH)	109.4544	0.067	21	109.4544	0.005	21	109.4689	0.003	100	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:H-1:	C-4:	C(CP[6]CH)(H)3	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	H(CCHH)	C(CP[6]CH)(H)3	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	H(CCHH)	109.4680	0.042	12	109.4680	0.002	12	109.4689	0.003	100	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:H-1:	C-4:	C(CP[6]CH)(H)3	C(P[6]C[6]N[6]C)(CH3)2(H)	H(CCHH)	C(CP[6]CH)(H)3	C(P[6]C[6]N[6]C)(CH3)2(H)	H(CCHH)	109.4640	0.022	6	109.4640	0.000	6	109.4689	0.003	100	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:H-1:	C-4:	C(CP[6]CH)(H)3	C(P[6]Ga[6]C[6]C)(CH3)2(H)	H(CCHH)	C(CP[6]CH)(H)3	C(P[6]Ga[6]C[6]C)(CH3)2(H)	H(CCHH)	109.4810	0.060	20	109.4810	0.004	20	109.4689	0.003	100	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:Br-1:	C-4:	C(CBrCS)(H)3	C(SC[6a]OO)(CH3)2(Br)	H(CCHH)	C(CBrCS)(H)3	C(SC[6a]OO)(CH3)2(Br)	H(CCHH)	109.4880	0.069	5	109.4880	0.005	5	109.4880	0.005	5	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[5a]OO)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[5a]OO)(CH3)2(H)	H(CCHH)	109.4784	0.034	13	109.4784	0.001	13	109.4773	0.001	38	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]IrO)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]IrO)(CH3)2(H)	H(CCHH)	109.4765	0.028	4	109.4765	0.001	4	109.4773	0.001	38	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]OO)(CCHH)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]OO)(CCHH)(CH3)(H)	H(CCHH)	109.4860	0.057	7	109.4860	0.003	7	109.4773	0.001	38	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]OO)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]OO)(CH3)2(H)	H(CCHH)	109.4656	0.033	9	109.4656	0.001	9	109.4773	0.001	38	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SC[6a]OO)(CSeCH)(CH3)(H)	H(CCHH)	C(CCHS)(H)3	C(SC[6a]OO)(CSeCH)(CH3)(H)	H(CCHH)	109.5025	0.023	2	109.5025	0.001	2	109.4773	0.001	38	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHS)(H)3	C(SFe3)(CH3)2(H)	H(CCHH)	C(CCHS)(H)3	C(SFe3)(CH3)2(H)	H(CCHH)	109.4720	0.014	3	109.4720	0.000	3	109.4773	0.001	38	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-1:	C-4:	C(CSiCC)(H)3	C(SiCCO)(CH3)2(C)	H(CCHH)	C(CSiCC)(H)3	C(SiCCO)(CH3)2(C)	H(CCHH)	109.4138	0.185	6	109.4138	0.034	6	109.4612	0.025	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-1:	C-4:	C(CSiCC)(H)3	C(SiGeCC)(CH3)2(C)	H(CCHH)	C(CSiCC)(H)3	C(SiGeCC)(CH3)2(C)	H(CCHH)	109.5180	0.116	5	109.5180	0.013	5	109.4612	0.025	11	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC3)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC3)(CH3)2(H)	H(CCHH)	109.5624	0.656	2258	109.5624	0.431	2258	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCCH)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCCH)(CH3)2(H)	H(CCHH)	109.4872	0.053	18	109.4872	0.003	18	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCCN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCCN)(CH3)2(H)	H(CCHH)	109.4720	0.048	314	109.4720	0.002	314	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCCO)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCCO)(CH3)2(H)	H(CCHH)	109.5817	0.945	644	109.5817	0.892	644	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCCP)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCCP)(CH3)2(H)	H(CCHH)	109.4782	0.054	28	109.4782	0.003	28	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCCS)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCCS)(CH3)2(H)	H(CCHH)	109.4753	0.045	64	109.4753	0.002	64	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCNN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCNN)(CH3)2(H)	H(CCHH)	109.4705	0.032	15	109.4705	0.001	15	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiCOO)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiCOO)(CH3)2(H)	H(CCHH)	110.4796	1.549	66	110.4796	2.401	66	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[4]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[4]CC)(CH3)2(H)	H(CCHH)	109.4648	0.044	14	109.4648	0.002	14	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[5,5]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[5,5]CC)(CH3)2(H)	H(CCHH)	109.4737	0.027	35	109.4737	0.001	35	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[5]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[5]CC)(CH3)2(H)	H(CCHH)	109.7731	0.986	270	109.7731	0.973	270	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[5a]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[5a]CC)(CH3)2(H)	H(CCHH)	109.5487	0.612	316	109.5487	0.375	316	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[5a]C[6a]C)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[5a]C[6a]C)(CH3)2(H)	H(CCHH)	109.4812	0.041	40	109.4812	0.002	40	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6]CC)(CH3)2(H)	H(CCHH)	109.8676	1.288	148	109.8676	1.660	148	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6]ClC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6]ClC)(CH3)2(H)	H(CCHH)	109.4566	0.025	7	109.4566	0.001	7	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]BrC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]BrC)(CH3)2(H)	H(CCHH)	109.4508	0.110	11	109.4508	0.012	11	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]CC)(CH3)2(H)	H(CCHH)	109.4985	0.439	35	109.4985	0.192	35	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]CH)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]CH)(CH3)2(H)	H(CCHH)	109.4824	0.058	5	109.4824	0.003	5	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]CN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]CN)(CH3)2(H)	H(CCHH)	109.4716	0.022	7	109.4716	0.000	7	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]CO)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]CO)(CH3)2(H)	H(CCHH)	109.4717	0.049	59	109.4717	0.002	59	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]CP)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]CP)(CH3)2(H)	H(CCHH)	109.4615	0.029	17	109.4615	0.001	17	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]C[5]C)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]C[5]C)(CH3)2(H)	H(CCHH)	110.9080	2.014	24	110.9080	4.055	24	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]ClC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]ClC)(CH3)2(H)	H(CCHH)	109.4714	0.025	7	109.4714	0.001	7	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]IrC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]IrC)(CH3)2(H)	H(CCHH)	109.4863	0.059	9	109.4863	0.003	9	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	H(CCHH)	109.5353	0.159	3	109.5353	0.025	3	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]OO)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]OO)(CH3)2(H)	H(CCHH)	110.5842	1.664	24	110.5842	2.768	24	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiC[6a]SiC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiC[6a]SiC)(CH3)2(H)	H(CCHH)	109.4719	0.252	41	109.4719	0.064	41	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiClCC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiClCC)(CH3)2(H)	H(CCHH)	109.4689	0.038	10	109.4689	0.001	10	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiGeCC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiGeCC)(CH3)2(H)	H(CCHH)	109.4785	0.032	11	109.4785	0.001	11	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiIrCO)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiIrCO)(CH3)2(H)	H(CCHH)	109.4748	0.043	13	109.4748	0.002	13	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiN[5a]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiN[5a]CC)(CH3)2(H)	H(CCHH)	109.4751	0.037	50	109.4751	0.001	50	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiO3)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiO3)(CH3)2(H)	H(CCHH)	110.7816	1.420	97	110.7816	2.017	97	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiRhCC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiRhCC)(CH3)2(H)	H(CCHH)	109.4730	0.021	7	109.4730	0.000	7	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiSi2C)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiSi2C)(CH3)2(H)	H(CCHH)	109.4729	0.033	9	109.4729	0.001	9	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiSiCC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiSiCC)(CH3)2(H)	H(CCHH)	109.4697	0.048	119	109.4697	0.002	119	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiSi[3]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiSi[3]CC)(CH3)2(H)	H(CCHH)	109.4665	0.056	21	109.4665	0.003	21	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiSi[4]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiSi[4]CC)(CH3)2(H)	H(CCHH)	109.4799	0.031	7	109.4799	0.001	7	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiSi[6]CC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiSi[6]CC)(CH3)2(H)	H(CCHH)	109.4767	0.064	12	109.4767	0.004	12	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiSnCC)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiSnCC)(CH3)2(H)	H(CCHH)	109.4608	0.030	5	109.4608	0.001	5	109.6156	0.615	4840	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:H-1:	C-4:	C(CSi[3]CH)(H)3	C(Si[3]Si[3]C[3]C)(CH3)2(H)	H(CCHH)	C(CSi[3]CH)(H)3	C(Si[3]Si[3]C[3]C)(CH3)2(H)	H(CCHH)	109.5252	0.067	4	109.5252	0.005	4	109.5252	0.005	4	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[4,4]-4:C-4:C-4:H-1:	C-4:	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	H(CCHH)	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	H(CCHH)	109.4816	0.037	11	109.4816	0.001	11	109.4571	0.229	207	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[4,4]-4:C-4:C-4:H-1:	C-4:	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	H(CCHH)	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	H(CCHH)	109.4894	0.495	77	109.4894	0.245	77	109.4571	0.229	207	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[4,4]-4:C-4:C-4:H-1:	C-4:	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[4,4]3)(CH3)2(H)	H(CCHH)	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[4,4]3)(CH3)2(H)	H(CCHH)	109.4339	0.490	119	109.4339	0.240	119	109.4571	0.229	207	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:H-1:	C-4:	C(CSi[4]CH)(H)3	C(Si[4]N[4]2C)(CH3)2(H)	H(CCHH)	C(CSi[4]CH)(H)3	C(Si[4]N[4]2C)(CH3)2(H)	H(CCHH)	109.4737	0.040	13	109.4737	0.002	13	109.4560	0.225	151	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:H-1:	C-4:	C(CSi[4]CH)(H)3	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	H(CCHH)	C(CSi[4]CH)(H)3	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	H(CCHH)	109.4541	0.507	132	109.4541	0.257	132	109.4560	0.225	151	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:H-1:	C-4:	C(CSi[4]CH)(H)3	C(Si[4]Si[4]2C)(CH3)2(H)	H(CCHH)	C(CSi[4]CH)(H)3	C(Si[4]Si[4]2C)(CH3)2(H)	H(CCHH)	109.4588	0.033	6	109.4588	0.001	6	109.4560	0.225	151	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	C-4:	C(CSi[5]CH)(H)3	C(Si[5]C[5,5]2C)(CH3)2(H)	H(CCHH)	C(CSi[5]CH)(H)3	C(Si[5]C[5,5]2C)(CH3)2(H)	H(CCHH)	109.4731	0.036	35	109.4731	0.001	35	110.0468	2.621	211	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	C-4:	C(CSi[5]CH)(H)3	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	H(CCHH)	C(CSi[5]CH)(H)3	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	H(CCHH)	109.4694	0.027	8	109.4694	0.001	8	110.0468	2.621	211	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	C-4:	C(CSi[5]CH)(H)3	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	H(CCHH)	C(CSi[5]CH)(H)3	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	H(CCHH)	109.4795	0.049	52	109.4795	0.002	52	110.0468	2.621	211	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	C-4:	C(CSi[5]CH)(H)3	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	H(CCHH)	C(CSi[5]CH)(H)3	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	H(CCHH)	109.4630	0.035	11	109.4630	0.001	11	110.0468	2.621	211	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	C-4:	C(CSi[5]CH)(H)3	C(Si[5]C[5]N[5]C)(CH3)2(H)	H(CCHH)	C(CSi[5]CH)(H)3	C(Si[5]C[5]N[5]C)(CH3)2(H)	H(CCHH)	109.4771	0.044	24	109.4771	0.002	24	110.0468	2.621	211	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	C-4:	C(CSi[5]CH)(H)3	C(Si[5]C[5]O[5]C)(CH3)2(H)	H(CCHH)	C(CSi[5]CH)(H)3	C(Si[5]C[5]O[5]C)(CH3)2(H)	H(CCHH)	111.2475	2.460	68	111.2475	6.051	68	110.0468	2.621	211	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:H-1:	C-4:	C(CSi[5]CH)(H)3	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	H(CCHH)	C(CSi[5]CH)(H)3	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	H(CCHH)	109.4812	0.046	13	109.4812	0.002	13	110.0468	2.621	211	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[6,6]-4:C-4:C-4:H-1:	C-4:	C(CSi[6,6]CH)(H)3	C(Si[6,6]P[6,6]2C)(CH3)2(H)	H(CCHH)	C(CSi[6,6]CH)(H)3	C(Si[6,6]P[6,6]2C)(CH3)2(H)	H(CCHH)	109.4680	0.032	7	109.4680	0.001	7	109.4680	0.001	7	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:H-1:	C-4:	C(CSi[6]CH)(H)3	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	H(CCHH)	C(CSi[6]CH)(H)3	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	H(CCHH)	109.4676	0.037	17	109.4676	0.001	17	109.4683	0.002	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:H-1:	C-4:	C(CSi[6]CH)(H)3	C(Si[6]C[6]2C)(CH3)2(H)	H(CCHH)	C(CSi[6]CH)(H)3	C(Si[6]C[6]2C)(CH3)2(H)	H(CCHH)	109.4754	0.024	7	109.4754	0.001	7	109.4683	0.002	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:H-1:	C-4:	C(CSi[6]CH)(H)3	C(Si[6]O[6]2C)(CH3)2(H)	H(CCHH)	C(CSi[6]CH)(H)3	C(Si[6]O[6]2C)(CH3)2(H)	H(CCHH)	109.4469	0.076	9	109.4469	0.006	9	109.4683	0.002	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:H-1:	C-4:	C(CSi[6]CH)(H)3	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	H(CCHH)	C(CSi[6]CH)(H)3	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	H(CCHH)	109.4929	0.030	8	109.4929	0.001	8	109.4683	0.002	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:H-1:	C-4:	C(CSi[6]CH)(H)3	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	H(CCHH)	C(CSi[6]CH)(H)3	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	H(CCHH)	109.4649	0.042	12	109.4649	0.002	12	109.4683	0.002	53	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:I-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)2(I)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	H(CCHI)	C(CC[5]CH)(H)2(I)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	H(CCHI)	108.4505	0.022	2	108.4505	0.000	2	108.4505	0.000	2	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:O-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(H)2(O)	C(CCCH)(CCHH)(CHHO)(H)	H(CCHO)	C(CCCH)(H)2(O)	C(CCCH)(CCHH)(CHHO)(H)	H(CCHO)	107.7082	1.018	6	107.7082	1.037	6	107.7082	1.037	6	109.5615	0.711	58388	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(Br)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	H(CBrCH)	C(CCCO)(Br)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	H(CBrCH)	109.0475	0.105	2	109.0475	0.011	2	108.8300	0.043	5	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(Br)(H)2	C(CBrHH)(CCHH)2(OC)	H(CBrCH)	C(CCCO)(Br)(H)2	C(CBrHH)(CCHH)2(OC)	H(CBrCH)	108.6880	0.000	1	108.6880	0.000	1	108.8300	0.043	5	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(Br)(H)2	C(CBrHH)(CCHO)(CH3)(OH)	H(CBrCH)	C(CCCO)(Br)(H)2	C(CBrHH)(CCHO)(CH3)(OH)	H(CBrCH)	108.6835	0.042	2	108.6835	0.002	2	108.8300	0.043	5	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:Cl-1:Cl-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(Cl)2(H)	C(CC[6]HH)(CCl2H)(CH3)(OC)	H(CCl2C)	C(CCCO)(Cl)2(H)	C(CC[6]HH)(CCl2H)(CH3)(OC)	H(CCl2C)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:Cl-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(Cl)(H)2	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	H(CClCH)	C(CC[5]CO)(Cl)(H)2	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	H(CClCH)	109.5730	0.383	4	109.5730	0.147	4	109.5730	0.147	4	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:F-1:F-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(F)2(H)	C(CCHN)(CFFH)(CH3)(OH)	H(CCFF)	C(CCCO)(F)2(H)	C(CCHN)(CFFH)(CH3)(OH)	H(CCFF)	110.5500	0.000	1	110.5500	0.000	1	110.5500	0.000	1	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)2(CN)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)2(CN)	H(CCHH)	109.4704	0.026	5	109.4704	0.001	5	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CCHH)2(CH3)(CN)	H(CCHH)	C(CC3)(H)3	C(CCHH)2(CH3)(CN)	H(CCHH)	109.4752	0.027	5	109.4752	0.001	5	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CCHO)(CH3)2(CC)	H(CCHH)	C(CC3)(H)3	C(CCHO)(CH3)2(CC)	H(CCHH)	109.4813	0.044	8	109.4813	0.002	8	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	H(CCHH)	C(CC3)(H)3	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	H(CCHH)	109.4707	0.023	6	109.4707	0.001	6	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CN)	H(CCHH)	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CN)	H(CCHH)	109.4820	0.014	3	109.4820	0.000	3	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[5]HH)(CH3)2(CN)	H(CCHH)	C(CC3)(H)3	C(CC[5]HH)(CH3)2(CN)	H(CCHH)	109.4814	0.037	5	109.4814	0.001	5	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[5a]CC)(CH3)2(CN)	H(CCHH)	C(CC3)(H)3	C(CC[5a]CC)(CH3)2(CN)	H(CCHH)	109.4822	0.023	5	109.4822	0.001	5	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[5a]C[6a]2)(CH3)2(CN)	H(CCHH)	C(CC3)(H)3	C(CC[5a]C[6a]2)(CH3)2(CN)	H(CCHH)	109.4982	0.037	4	109.4982	0.001	4	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6]HH)(CH3)2(CN)	H(CCHH)	C(CC3)(H)3	C(CC[6]HH)(CH3)2(CN)	H(CCHH)	109.4657	0.024	3	109.4657	0.001	3	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]2H)(CH3)2(CN)	H(CCHH)	C(CC3)(H)3	C(CC[6a]2H)(CH3)2(CN)	H(CCHH)	109.4752	0.031	5	109.4752	0.001	5	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CHHO)(CH3)(CN)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CHHO)(CH3)(CN)	H(CCHH)	110.1220	0.993	3	110.1220	0.985	3	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CC)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CC)	H(CCHH)	109.4873	0.058	6	109.4873	0.003	6	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CN)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CN)	H(CCHH)	109.4705	0.012	2	109.4705	0.000	2	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CC)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CC)	H(CCHH)	109.4657	0.025	4	109.4657	0.001	4	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CH3)3(CC)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CC)	H(CCHH)	109.5348	0.397	448	109.5348	0.158	448	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CH3)3(CN)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CN)	H(CCHH)	109.4402	0.827	136	109.4402	0.684	136	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CH3)3(CV)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CV)	H(CCHH)	110.2505	1.007	15	110.2505	1.013	15	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(H)3	C(CH3)3(CW)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CW)	H(CCHH)	109.5787	0.388	67	109.5787	0.150	67	109.5336	0.273	730	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NS)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NS)	H(CCHH)	109.4630	0.041	3	109.4630	0.002	3	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CCCN)(CH3)2(NC)	H(CCHH)	C(CCCN)(H)3	C(CCCN)(CH3)2(NC)	H(CCHH)	109.4786	0.132	14	109.4786	0.017	14	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NC)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NC)	H(CCHH)	109.4771	0.028	7	109.4771	0.001	7	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NCr)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NCr)	H(CCHH)	109.4659	0.054	7	109.4659	0.003	7	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NS)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NS)	H(CCHH)	110.2192	1.138	11	110.2192	1.295	11	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NC)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NC)	H(CCHH)	109.4231	0.837	2597	109.4231	0.700	2597	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NCo)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCo)	H(CCHH)	109.4750	0.028	8	109.4750	0.001	8	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NFe)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NFe)	H(CCHH)	109.5875	0.832	24	109.5875	0.692	24	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NH)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NH)	H(CCHH)	109.5276	0.030	5	109.5276	0.001	5	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NIr)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NIr)	H(CCHH)	109.4542	0.028	5	109.4542	0.001	5	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NMo)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NMo)	H(CCHH)	109.4733	0.078	205	109.4733	0.006	205	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NN)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NN)	H(CCHH)	109.4771	0.035	16	109.4771	0.001	16	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NNb)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NNb)	H(CCHH)	109.4588	0.032	10	109.4588	0.001	10	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NP)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NP)	H(CCHH)	109.4694	0.042	43	109.4694	0.002	43	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NRe)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NRe)	H(CCHH)	109.4931	0.065	14	109.4931	0.004	14	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NS)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NS)	H(CCHH)	110.7794	1.782	142	110.7794	3.175	142	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NSi)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NSi)	H(CCHH)	109.4427	0.040	6	109.4427	0.002	6	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NTa)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NTa)	H(CCHH)	109.5014	0.442	78	109.5014	0.195	78	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NTe)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NTe)	H(CCHH)	109.4313	0.043	7	109.4313	0.002	7	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NTi)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NTi)	H(CCHH)	109.4758	0.141	35	109.4758	0.020	35	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NV)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NV)	H(CCHH)	109.4760	0.040	32	109.4760	0.002	32	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CH3)3(NW)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NW)	H(CCHH)	109.4756	0.322	119	109.4756	0.104	119	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(H)3	C(CHHN)2(CH3)(NC)	H(CCHH)	C(CCCN)(H)3	C(CHHN)2(CH3)(NC)	H(CCHH)	109.4480	0.049	2	109.4480	0.002	2	109.4935	0.760	3390	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CBrCH)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CBrCH)(CH3)2(OC)	H(CCHH)	109.4774	0.031	11	109.4774	0.001	11	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CBrHH)(CCHO)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CBrHH)(CCHO)(CH3)(OH)	H(CCHH)	109.4617	0.021	3	109.4617	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC3)2(CH3)(OCr)	H(CCHH)	C(CCCO)(H)3	C(CC3)2(CH3)(OCr)	H(CCHH)	109.4791	0.051	21	109.4791	0.003	21	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC3)2(CH3)(OFe)	H(CCHH)	C(CCCO)(H)3	C(CC3)2(CH3)(OFe)	H(CCHH)	109.4686	0.032	34	109.4686	0.001	34	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC3)2(CH3)(OMn)	H(CCHH)	C(CCCO)(H)3	C(CC3)2(CH3)(OMn)	H(CCHH)	109.4600	0.045	9	109.4600	0.002	9	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC3)2(CH3)(OV)	H(CCHH)	C(CCCO)(H)3	C(CC3)2(CH3)(OV)	H(CCHH)	109.4954	0.024	5	109.4954	0.001	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCH)(CCHH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCCH)(CCHH)(CH3)(OH)	H(CCHH)	109.4708	0.046	5	109.4708	0.002	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCH)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CCCH)(CH3)2(OC)	H(CCHH)	109.5073	0.040	12	109.5073	0.002	12	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CCCH)(CH3)2(OH)	H(CCHH)	109.4692	0.050	25	109.4692	0.002	25	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCH)2(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CCCH)2(CH3)(OC)	H(CCHH)	109.4375	0.057	2	109.4375	0.003	2	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCO)(CCHH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCCO)(CCHH)(CH3)(OH)	H(CCHH)	109.4720	0.013	3	109.4720	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCO)(CH3)2(OB)	H(CCHH)	C(CCCO)(H)3	C(CCCO)(CH3)2(OB)	H(CCHH)	109.4597	0.018	4	109.4597	0.000	4	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCO)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CCCO)(CH3)2(OH)	H(CCHH)	109.6748	1.178	94	109.6748	1.388	94	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCCO)(CH3)2(ORe)	H(CCHH)	C(CCCO)(H)3	C(CCCO)(CH3)2(ORe)	H(CCHH)	109.4598	0.048	11	109.4598	0.002	11	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	H(CCHH)	109.5984	0.691	20	109.5984	0.477	20	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	H(CCHH)	109.4756	0.037	26	109.4756	0.001	26	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)2(OC)	H(CCHH)	109.4754	0.027	16	109.4754	0.001	16	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)2(OH)	H(CCHH)	109.4488	0.141	71	109.4488	0.020	71	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)2(ONi)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)2(ONi)	H(CCHH)	109.5152	0.630	6	109.5152	0.397	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)2(ORh)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)2(ORh)	H(CCHH)	109.4707	0.025	4	109.4707	0.001	4	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CH3)2(OSi)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CH3)2(OSi)	H(CCHH)	109.4844	0.028	8	109.4844	0.001	8	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CHHO)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CHHO)(CH3)(OH)	H(CCHH)	109.4704	0.048	9	109.4704	0.002	9	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)(CHHS)(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CCHH)(CHHS)(CH3)(OC)	H(CCHH)	109.4980	0.026	3	109.4980	0.001	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)2(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CCHH)2(CH3)(OC)	H(CCHH)	109.4742	0.022	8	109.4742	0.000	8	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHH)2(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHH)2(CH3)(OH)	H(CCHH)	109.4300	0.021	3	109.4300	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHN)(CFFH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHN)(CFFH)(CH3)(OH)	H(CCHH)	109.5093	0.007	3	109.5093	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHN)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHN)(CH3)2(OH)	H(CCHH)	109.8126	1.164	11	109.8126	1.356	11	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHO)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CCHO)(CH3)2(OC)	H(CCHH)	109.4749	0.054	11	109.4749	0.003	11	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	H(CCHH)	109.3525	1.011	65	109.3525	1.023	65	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHO)2(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CCHO)2(CH3)(OH)	H(CCHH)	110.0326	1.128	9	110.0326	1.272	9	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCHO)2(CH3)(OSi)	H(CCHH)	C(CCCO)(H)3	C(CCHO)2(CH3)(OSi)	H(CCHH)	109.4365	0.013	2	109.4365	0.000	2	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[3]HH)(CCHO)(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[3]HH)(CCHO)(CH3)(OC)	H(CCHH)	109.4628	0.024	6	109.4628	0.001	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[3]HO)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[3]HO)(CH3)2(OC)	H(CCHH)	109.5180	0.027	4	109.5180	0.001	4	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]CH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]CH)(CH3)2(OH)	H(CCHH)	109.4760	0.026	8	109.4760	0.001	8	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HH)(CCHH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HH)(CCHH)(CH3)(OH)	H(CCHH)	109.4693	0.029	3	109.4693	0.001	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OC)	H(CCHH)	109.4500	0.017	3	109.4500	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OH)	H(CCHH)	109.4720	0.014	2	109.4720	0.000	2	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	H(CCHH)	109.4599	0.029	20	109.4599	0.001	20	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HH)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HH)(CH3)2(OC)	H(CCHH)	109.4617	0.038	4	109.4617	0.001	4	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HO)(CCHH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HO)(CCHH)(CH3)(OH)	H(CCHH)	109.4797	0.023	6	109.4797	0.001	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[5]HO)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[5]HO)(CH3)2(OH)	H(CCHH)	109.4860	0.043	24	109.4860	0.002	24	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]CH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6]CH)(CH3)2(OH)	H(CCHH)	109.4804	0.046	5	109.4804	0.002	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(CCl2H)(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(CCl2H)(CH3)(OC)	H(CCHH)	109.4917	0.026	3	109.4917	0.001	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(CF3)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(CF3)(CH3)(OH)	H(CCHH)	109.5077	0.011	3	109.5077	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OH)	H(CCHH)	109.4810	0.013	4	109.4810	0.000	4	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OO)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OO)	H(CCHH)	109.4940	0.026	4	109.4940	0.001	4	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OP)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OP)	H(CCHH)	109.4922	0.047	5	109.4922	0.002	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(ORu)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(ORu)	H(CCHH)	109.4588	0.036	10	109.4588	0.001	10	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HN)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HN)(CH3)2(OH)	H(CCHH)	109.4517	0.051	6	109.4517	0.003	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CCHH)	109.4894	0.025	5	109.4894	0.001	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OC)	H(CCHH)	109.4644	0.030	5	109.4644	0.001	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OH)	H(CCHH)	109.5050	0.048	6	109.5050	0.002	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]2H)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]2H)(CH3)2(OH)	H(CCHH)	109.4740	0.047	5	109.4740	0.002	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]2H)2(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]2H)2(CH3)(OH)	H(CCHH)	109.4807	0.014	3	109.4807	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCHH)	109.4690	0.036	10	109.4690	0.001	10	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]CH)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]CH)(CH3)2(OC)	H(CCHH)	109.4709	0.038	15	109.4709	0.001	15	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]CH)(CHHO)(CH3)(OC)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]CH)(CHHO)(CH3)(OC)	H(CCHH)	109.7017	5.503	3	109.7017	30.282	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]HH)(CCCH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]HH)(CCCH)(CH3)(OH)	H(CCHH)	109.4513	0.031	8	109.4513	0.001	8	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CCHH)	109.4637	0.018	6	109.4637	0.000	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CC[6a]N[5a]H)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CC[6a]N[5a]H)(CH3)2(OH)	H(CCHH)	109.4767	0.016	3	109.4767	0.000	3	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCl3)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CCl3)(CH3)2(OC)	H(CCHH)	109.4708	0.036	17	109.4708	0.001	17	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCo2C)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CCo2C)(CH3)2(OC)	H(CCHH)	109.4515	0.013	4	109.4515	0.000	4	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCo2C)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CCo2C)(CH3)2(OH)	H(CCHH)	109.4774	0.032	9	109.4774	0.001	9	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CCuOO)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CCuOO)(CH3)2(OC)	H(CCHH)	109.4754	0.042	5	109.4754	0.002	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CF3)(CH3)2(OC)	H(CCHH)	C(CCCO)(H)3	C(CF3)(CH3)2(OC)	H(CCHH)	109.4752	0.056	5	109.4752	0.003	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CF3)(CH3)2(OW)	H(CCHH)	C(CCCO)(H)3	C(CF3)(CH3)2(OW)	H(CCHH)	109.4619	0.034	7	109.4619	0.001	7	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CF3)2(CH3)(OAl)	H(CCHH)	C(CCCO)(H)3	C(CF3)2(CH3)(OAl)	H(CCHH)	109.4681	0.040	9	109.4681	0.002	9	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CF3)2(CH3)(OMo)	H(CCHH)	C(CCCO)(H)3	C(CF3)2(CH3)(OMo)	H(CCHH)	109.4752	0.024	6	109.4752	0.001	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CF3)2(CH3)(OW)	H(CCHH)	C(CCCO)(H)3	C(CF3)2(CH3)(OW)	H(CCHH)	109.5654	0.621	18	109.5654	0.386	18	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CFeCC)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CFeCC)(CH3)2(OH)	H(CCHH)	109.4852	0.048	5	109.4852	0.002	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CFeRuC)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CFeRuC)(CH3)2(OH)	H(CCHH)	109.4860	0.052	14	109.4860	0.003	14	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OAl)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OAl)	H(CCHH)	109.7857	0.929	50	109.7857	0.864	50	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OBe)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OBe)	H(CCHH)	109.4679	0.032	7	109.4679	0.001	7	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OBi)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OBi)	H(CCHH)	109.4732	0.092	28	109.4732	0.008	28	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OC)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OC)	H(CCHH)	109.4978	0.990	16387	109.4978	0.980	16387	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OCr)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OCr)	H(CCHH)	109.4611	0.046	8	109.4611	0.002	8	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OCu)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OCu)	H(CCHH)	109.4750	0.025	6	109.4750	0.001	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OFe)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OFe)	H(CCHH)	109.4853	0.047	22	109.4853	0.002	22	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OGe)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OGe)	H(CCHH)	109.4775	0.038	23	109.4775	0.001	23	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OH)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OH)	H(CCHH)	109.3606	1.569	126	109.3606	2.462	126	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OHf)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OHf)	H(CCHH)	109.4627	0.041	16	109.4627	0.002	16	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OMg)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OMg)	H(CCHH)	108.5048	2.627	9	108.5048	6.903	9	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OMo)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OMo)	H(CCHH)	109.4966	0.075	23	109.4966	0.006	23	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(ON)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(ON)	H(CCHH)	109.3660	1.294	148	109.3660	1.674	148	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(ONb)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(ONb)	H(CCHH)	109.4746	0.065	18	109.4746	0.004	18	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(ONi)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(ONi)	H(CCHH)	109.4697	0.034	14	109.4697	0.001	14	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OO)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OO)	H(CCHH)	109.4719	0.047	238	109.4719	0.002	238	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OP)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OP)	H(CCHH)	109.4699	0.062	159	109.4699	0.004	159	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OS)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OS)	H(CCHH)	109.4474	0.047	7	109.4474	0.002	7	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OSb)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OSb)	H(CCHH)	109.4918	0.038	13	109.4918	0.001	13	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OSi)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OSi)	H(CCHH)	109.4783	0.096	685	109.4783	0.009	685	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OSn)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OSn)	H(CCHH)	109.6718	1.614	53	109.6718	2.605	53	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OTi)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OTi)	H(CCHH)	109.4769	0.051	57	109.4769	0.003	57	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OU)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OU)	H(CCHH)	109.3761	0.310	8	109.3761	0.096	8	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OV)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OV)	H(CCHH)	109.4569	0.052	15	109.4569	0.003	15	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OW)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OW)	H(CCHH)	109.4799	0.056	108	109.4799	0.003	108	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OZn)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OZn)	H(CCHH)	109.4702	0.018	6	109.4702	0.000	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CH3)3(OZr)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OZr)	H(CCHH)	109.4836	0.055	59	109.4836	0.003	59	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CHHN)(CH3)2(OAl)	H(CCHH)	C(CCCO)(H)3	C(CHHN)(CH3)2(OAl)	H(CCHH)	109.4710	0.032	21	109.4710	0.001	21	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CHHN)(CH3)2(OGe)	H(CCHH)	C(CCCO)(H)3	C(CHHN)(CH3)2(OGe)	H(CCHH)	109.4789	0.046	25	109.4789	0.002	25	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CHHN)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CHHN)(CH3)2(OH)	H(CCHH)	109.4715	0.043	59	109.4715	0.002	59	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CHHN)(CH3)2(OSn)	H(CCHH)	C(CCCO)(H)3	C(CHHN)(CH3)2(OSn)	H(CCHH)	109.4740	0.053	210	109.4740	0.003	210	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CHHO)(CH3)2(OLi)	H(CCHH)	C(CCCO)(H)3	C(CHHO)(CH3)2(OLi)	H(CCHH)	109.4824	0.069	5	109.4824	0.005	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CHHP)(CH3)2(OB)	H(CCHH)	C(CCCO)(H)3	C(CHHP)(CH3)2(OB)	H(CCHH)	109.4817	0.067	15	109.4817	0.004	15	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CHHP)(CH3)2(OZr)	H(CCHH)	C(CCCO)(H)3	C(CHHP)(CH3)2(OZr)	H(CCHH)	109.4572	0.019	5	109.4572	0.000	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OAl)	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OAl)	H(CCHH)	109.7554	0.842	28	109.7554	0.708	28	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OH)	H(CCHH)	109.6571	0.809	28	109.6571	0.655	28	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OPd)	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OPd)	H(CCHH)	109.4582	0.020	5	109.4582	0.000	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(ORh)	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(ORh)	H(CCHH)	109.3417	0.207	6	109.3417	0.043	6	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OZn)	H(CCHH)	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OZn)	H(CCHH)	109.5150	0.067	8	109.5150	0.004	8	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[5a]HH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CN[5a]HH)(CH3)2(OH)	H(CCHH)	109.4850	0.030	7	109.4850	0.001	7	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(H)3	C(CN[6]HH)(CH3)2(OH)	H(CCHH)	C(CCCO)(H)3	C(CN[6]HH)(CH3)2(OH)	H(CCHH)	109.4698	0.025	5	109.4698	0.001	5	109.4953	0.883	19522	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CCHH)(CH3)2(SCo)	H(CCHH)	C(CCCS)(H)3	C(CCHH)(CH3)2(SCo)	H(CCHH)	109.5058	0.298	5	109.5058	0.089	5	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CCHN)(CH3)2(SC)	H(CCHH)	C(CCCS)(H)3	C(CCHN)(CH3)2(SC)	H(CCHH)	109.4800	0.035	7	109.4800	0.001	7	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CCHN)(CH3)2(SPd)	H(CCHH)	C(CCCS)(H)3	C(CCHN)(CH3)2(SPd)	H(CCHH)	109.4662	0.040	15	109.4662	0.002	15	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CCHN)(CH3)2(SRe)	H(CCHH)	C(CCCS)(H)3	C(CCHN)(CH3)2(SRe)	H(CCHH)	109.2407	0.807	23	109.2407	0.652	23	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CC[5]2O)(CH3)2(SS)	H(CCHH)	C(CCCS)(H)3	C(CC[5]2O)(CH3)2(SS)	H(CCHH)	109.4195	0.076	6	109.4195	0.006	6	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CCo2C)(CH3)2(SC)	H(CCHH)	C(CCCS)(H)3	C(CCo2C)(CH3)2(SC)	H(CCHH)	109.4762	0.063	24	109.4762	0.004	24	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SB)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SB)	H(CCHH)	109.4659	0.033	7	109.4659	0.001	7	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SC)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SC)	H(CCHH)	109.4249	0.609	154	109.4249	0.371	154	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SCo)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SCo)	H(CCHH)	109.4786	0.032	9	109.4786	0.001	9	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SFe)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SFe)	H(CCHH)	109.4991	0.063	18	109.4991	0.004	18	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SMo)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SMo)	H(CCHH)	109.4986	0.110	8	109.4986	0.012	8	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SNi)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SNi)	H(CCHH)	109.4566	0.053	23	109.4566	0.003	23	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SP)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SP)	H(CCHH)	109.5050	0.046	6	109.5050	0.002	6	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(STe)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(STe)	H(CCHH)	109.6037	3.929	9	109.6037	15.434	9	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SW)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SW)	H(CCHH)	109.4365	0.130	22	109.4365	0.017	22	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SZn)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SZn)	H(CCHH)	109.4934	0.039	5	109.4934	0.002	5	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CH3)3(SZr)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SZr)	H(CCHH)	109.4710	0.048	23	109.4710	0.002	23	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SC)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SC)	H(CCHH)	109.4652	0.043	8	109.4652	0.002	8	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SCo)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SCo)	H(CCHH)	109.4680	0.241	23	109.4680	0.058	23	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SCu)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SCu)	H(CCHH)	110.1852	2.157	12	110.1852	4.653	12	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SFe)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SFe)	H(CCHH)	109.4847	0.031	7	109.4847	0.001	7	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SGe)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SGe)	H(CCHH)	109.4626	0.037	26	109.4626	0.001	26	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SNi)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SNi)	H(CCHH)	109.4762	0.040	39	109.4762	0.002	39	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SRu)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SRu)	H(CCHH)	109.4828	0.028	12	109.4828	0.001	12	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SS)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SS)	H(CCHH)	108.1666	4.720	18	108.1666	22.276	18	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SZn)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SZn)	H(CCHH)	109.4760	0.036	28	109.4760	0.001	28	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CHHS)(CH3)2(SRe)	H(CCHH)	C(CCCS)(H)3	C(CHHS)(CH3)2(SRe)	H(CCHH)	110.0080	0.754	48	110.0080	0.569	48	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CN[5]2H)(CH3)2(SZn)	H(CCHH)	C(CCCS)(H)3	C(CN[5]2H)(CH3)2(SZn)	H(CCHH)	109.4460	0.232	20	109.4460	0.054	20	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CN[5]HH)(CH3)2(SS)	H(CCHH)	C(CCCS)(H)3	C(CN[5]HH)(CH3)2(SS)	H(CCHH)	109.8800	0.997	12	109.8800	0.995	12	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(H)3	C(CN[5a]2H)(CH3)2(SZn)	H(CCHH)	C(CCCS)(H)3	C(CN[5a]2H)(CH3)2(SZn)	H(CCHH)	109.5008	0.046	9	109.5008	0.002	9	109.4783	1.152	626	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-2:	C-4:	C(CSeCC)(H)3	C(CH3)3(SeC)	H(CCHH)	C(CSeCC)(H)3	C(CH3)3(SeC)	H(CCHH)	109.4671	0.036	15	109.4671	0.001	15	109.4690	0.002	23	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-2:	C-4:	C(CSeCC)(H)3	C(CH3)3(SeW)	H(CCHH)	C(CSeCC)(H)3	C(CH3)3(SeW)	H(CCHH)	109.4727	0.048	8	109.4727	0.002	8	109.4690	0.002	23	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:O-2:	C-4:	C(CCOP)(H)3	C(CCHH)(CH3)(PO3)(OH)	H(CCHH)	C(CCOP)(H)3	C(CCHH)(CH3)(PO3)(OH)	H(CCHH)	109.4673	0.025	3	109.4673	0.001	3	109.5084	0.252	51	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:O-2:	C-4:	C(CCOP)(H)3	C(CCHN)(CH3)(PO3)(OH)	H(CCHH)	C(CCOP)(H)3	C(CCHN)(CH3)(PO3)(OH)	H(CCHH)	109.4787	0.018	3	109.4787	0.000	3	109.5084	0.252	51	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:O-2:	C-4:	C(CCOP)(H)3	C(CH3)2(PO3)(OH)	H(CCHH)	C(CCOP)(H)3	C(CH3)2(PO3)(OH)	H(CCHH)	109.5131	0.535	45	109.5131	0.286	45	109.5084	0.252	51	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(COPP)(H)3	C(CH3)(PO3)2(OH)	H(CCHH)	C(COPP)(H)3	C(CH3)(PO3)2(OH)	H(CCHH)	109.4726	0.070	49	109.4726	0.005	49	109.4726	0.005	49	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C-4:S-4:C-4:C-2:	C-4:	C(CCCS)(H)3	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	H(CCHH)	C(CCCS)(H)3	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	H(CCHH)	109.4664	0.025	9	109.4664	0.001	9	109.4664	0.001	9	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:O-2:	C-4:	C(CC[3]CO)(H)3	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	H(CCHH)	C(CC[3]CO)(H)3	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	H(CCHH)	109.5157	0.035	6	109.5157	0.001	6	109.4789	0.002	24	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:O-2:	C-4:	C(CC[3]CO)(H)3	C(C[3]C[3]2H)(CH3)2(OH)	H(CCHH)	C(CC[3]CO)(H)3	C(C[3]C[3]2H)(CH3)2(OH)	H(CCHH)	109.4619	0.039	13	109.4619	0.001	13	109.4789	0.002	24	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:O-2:	C-4:	C(CC[3]CO)(H)3	C(C[3]C[3]N[3]H)(CH3)2(OH)	H(CCHH)	C(CC[3]CO)(H)3	C(C[3]C[3]N[3]H)(CH3)2(OH)	H(CCHH)	109.4788	0.018	5	109.4788	0.000	5	109.4789	0.002	24	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C[6]-4:C-4:O-2:	C-4:	C(CC[3]C[6]O)(H)3	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	H(CCHH)	C(CC[3]C[6]O)(H)3	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	H(CCHH)	109.4744	0.024	8	109.4744	0.001	8	109.4744	0.001	8	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:N-2:	C-4:	C(CC[4]CN)(H)3	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	H(CCHH)	C(CC[4]CN)(H)3	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	H(CCHH)	109.4643	0.025	3	109.4643	0.001	3	109.4643	0.001	3	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:O-2:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[4,5]C[4]H)(CH3)2(OH)	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[4,5]C[4]H)(CH3)2(OH)	H(CCHH)	109.4860	0.037	4	109.4860	0.001	4	109.7089	0.853	50	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:O-2:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[4,6]C[4]H)(CH3)2(OH)	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[4,6]C[4]H)(CH3)2(OH)	H(CCHH)	109.4620	0.023	4	109.4620	0.001	4	109.7089	0.853	50	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:O-2:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[4,6]N[4]H)(CH3)2(OH)	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[4,6]N[4]H)(CH3)2(OH)	H(CCHH)	109.4616	0.023	5	109.4616	0.001	5	109.7089	0.853	50	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:O-2:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[4]2Co)(CH3)2(OSi)	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[4]2Co)(CH3)2(OSi)	H(CCHH)	109.4777	0.033	10	109.4777	0.001	10	109.7089	0.853	50	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:O-2:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[4]2H)(CH3)2(OSi)	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[4]2H)(CH3)2(OSi)	H(CCHH)	110.0658	1.405	20	110.0658	1.974	20	109.7089	0.853	50	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:O-2:	C-4:	C(CC[4]CO)(H)3	C(C[4]C[6a]C[4]N[4])(CH3)2(OH)	H(CCHH)	C(CC[4]CO)(H)3	C(C[4]C[6a]C[4]N[4])(CH3)2(OH)	H(CCHH)	109.4644	0.027	7	109.4644	0.001	7	109.7089	0.853	50	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C[5]-4:C-4:O-2:	C-4:	C(CC[4]C[5]O)(H)3	C(C[4]C[4]2H)(C[5]C[5]2O)(CH3)(OH)	H(CCHH)	C(CC[4]C[5]O)(H)3	C(C[4]C[4]2H)(C[5]C[5]2O)(CH3)(OH)	H(CCHH)	109.4717	0.034	3	109.4717	0.001	3	109.4717	0.001	3	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:	C(CC[5,5,6]CO)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5,5,6]CO)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	H(CCHH)	109.4760	0.024	3	109.4760	0.001	3	109.4609	0.002	13	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:	C(CC[5,5,6]CO)(H)3	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5,5,6]CO)(H)3	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	H(CCHH)	109.4564	0.044	10	109.4564	0.002	10	109.4609	0.002	13	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:O-2:	C-4:	C(CC[5,5]CO)(H)3	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5,5]CO)(H)3	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	H(CCHH)	109.4570	0.037	2	109.4570	0.001	2	109.4570	0.001	2	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:N-2:	C-4:	C(CC[5,6]CN)(H)3	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	H(CCHH)	C(CC[5,6]CN)(H)3	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	H(CCHH)	109.4540	0.057	3	109.4540	0.003	3	109.4540	0.003	3	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:O-2:	C-4:	C(CC[5,6]CO)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	H(CCHH)	C(CC[5,6]CO)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	H(CCHH)	109.4708	0.026	5	109.4708	0.001	5	109.4646	0.000	10	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:O-2:	C-4:	C(CC[5,6]CO)(H)3	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	H(CCHH)	C(CC[5,6]CO)(H)3	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	H(CCHH)	109.4584	0.016	5	109.4584	0.000	5	109.4646	0.000	10	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-2:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	H(CCHH)	109.4602	0.042	10	109.4602	0.002	10	109.4674	0.001	22	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-2:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)2(CN)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)2(CN)	H(CCHH)	109.4789	0.044	8	109.4789	0.002	8	109.4674	0.001	22	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-2:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]C)(CH3)2(CC)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]C)(CH3)2(CC)	H(CCHH)	109.4625	0.012	4	109.4625	0.000	4	109.4674	0.001	22	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	H(CCHH)	109.4943	0.030	3	109.4943	0.001	3	109.7099	0.758	14	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CF3)(CH3)(NC)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CF3)(CH3)(NC)	H(CCHH)	110.0270	1.326	6	110.0270	1.757	6	109.7099	0.758	14	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CH3)2(NN)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CH3)2(NN)	H(CCHH)	109.4586	0.034	5	109.4586	0.001	5	109.7099	0.758	14	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCHH)	109.5253	0.010	3	109.5253	0.000	3	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	H(CCHH)	109.4780	0.031	3	109.4780	0.001	3	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	H(CCHH)	109.4752	0.037	4	109.4752	0.001	4	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	H(CCHH)	109.4587	0.021	3	109.4587	0.000	3	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCHH)	109.4542	0.036	5	109.4542	0.001	5	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(CCHH)	109.4639	0.040	15	109.4639	0.002	15	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(CCHH)	109.4843	0.053	15	109.4843	0.003	15	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	H(CCHH)	109.5020	0.030	2	109.5020	0.001	2	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2C)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2C)(CH3)2(OH)	H(CCHH)	109.4672	0.042	4	109.4672	0.002	4	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2Fe)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2Fe)(CH3)2(OH)	H(CCHH)	109.4941	0.158	22	109.4941	0.025	22	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCHH)	109.4815	0.020	10	109.4815	0.000	10	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CH3)2(OH)	H(CCHH)	109.4697	0.224	54	109.4697	0.050	54	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	H(CCHH)	109.4843	0.016	9	109.4843	0.000	9	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]2Ru)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]2Ru)(CH3)2(OH)	H(CCHH)	109.4604	0.043	8	109.4604	0.002	8	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(CCHH)	109.4780	0.031	5	109.4780	0.001	5	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(OC)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(OC)	H(CCHH)	109.4758	0.028	5	109.4758	0.001	5	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(ONi)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(ONi)	H(CCHH)	109.4304	0.039	5	109.4304	0.002	5	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(OO)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(OO)	H(CCHH)	109.4837	0.045	6	109.4837	0.002	6	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	H(CCHH)	109.4976	0.036	5	109.4976	0.001	5	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	H(CCHH)	109.4737	0.021	3	109.4737	0.000	3	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(CCHH)	109.4684	0.022	5	109.4684	0.001	5	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	H(CCHH)	109.4540	0.009	3	109.4540	0.000	3	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)2(OH)	H(CCHH)	109.5033	0.424	202	109.5033	0.180	202	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(CCHH)	109.4811	0.023	8	109.4811	0.001	8	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]O)(CH3)2(OH)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]O)(CH3)2(OH)	H(CCHH)	109.2112	0.890	19	109.2112	0.793	19	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(H)3	C(C[5]O[5]P[5]H)(CH3)2(OPd)	H(CCHH)	C(CC[5]CO)(H)3	C(C[5]O[5]P[5]H)(CH3)2(OPd)	H(CCHH)	109.4967	0.093	12	109.4967	0.009	12	109.4774	0.127	435	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:S-2:	C-4:	C(CC[5]CS)(H)3	C(C[5]N[5]2H)(CH3)2(SS)	H(CCHH)	C(CC[5]CS)(H)3	C(C[5]N[5]2H)(CH3)2(SS)	H(CCHH)	110.7263	1.134	6	110.7263	1.285	6	110.7263	1.285	6	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:	C(CC[5]C[6]O)(H)3	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	H(CCHH)	C(CC[5]C[6]O)(H)3	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CH3)(OH)	H(CCHH)	109.4587	0.026	17	109.4587	0.001	17	109.5481	0.222	29	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:	C(CC[5]C[6]O)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	H(CCHH)	C(CC[5]C[6]O)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	H(CCHH)	109.4618	0.037	6	109.4618	0.001	6	109.5481	0.222	29	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:	C(CC[5]C[6]O)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	H(CCHH)	C(CC[5]C[6]O)(H)3	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(OH)	H(CCHH)	109.7763	1.281	3	109.7763	1.640	3	109.5481	0.222	29	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C-4:	C(CC[5]C[6]O)(H)3	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	H(CCHH)	C(CC[5]C[6]O)(H)3	C(C[5]C[5]2Fe)(C[6]C[6]2H)(CH3)(OH)	H(CCHH)	109.9993	0.995	3	109.9993	0.989	3	109.5481	0.222	29	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:O-2:	C-4:	C(CC[6,6]CO)(H)3	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	H(CCHH)	C(CC[6,6]CO)(H)3	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	H(CCHH)	109.4723	0.021	4	109.4723	0.000	4	109.4723	0.000	4	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[5]-4:C-4:O-2:	C-4:	C(CC[6,6]C[5]O)(H)3	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	H(CCHH)	C(CC[6,6]C[5]O)(H)3	C(C[6,6]C[5,6,6]2H)(C[5]C[3,5]C[5]H)(CH3)(OH)	H(CCHH)	109.4803	0.022	3	109.4803	0.000	3	109.4803	0.000	3	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-2:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(CN)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(CN)	H(CCHH)	109.4790	0.015	8	109.4790	0.000	8	109.4730	0.000	15	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-2:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	H(CCHH)	109.4545	0.019	2	109.4545	0.000	2	109.4730	0.000	15	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-2:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	H(CCHH)	109.4708	0.025	5	109.4708	0.001	5	109.4730	0.000	15	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:N-2:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NC)	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NC)	H(CCHH)	109.4812	0.021	6	109.4812	0.000	6	109.4724	0.001	9	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:N-2:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NN)	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NN)	H(CCHH)	109.4550	0.026	3	109.4550	0.001	3	109.4724	0.001	9	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	H(CCHH)	109.8870	1.784	18	109.8870	3.184	18	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	H(CCHH)	109.4586	0.039	10	109.4586	0.002	10	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	H(CCHH)	109.4722	0.045	6	109.4722	0.002	6	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	H(CCHH)	109.4837	0.012	3	109.4837	0.000	3	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	H(CCHH)	109.4862	0.026	5	109.4862	0.001	5	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	H(CCHH)	109.5004	0.054	5	109.5004	0.003	5	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]2C)(CH3)2(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]2C)(CH3)2(OH)	H(CCHH)	110.0762	0.926	6	110.0762	0.858	6	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CH3)2(OC)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CH3)2(OC)	H(CCHH)	109.4701	0.130	44	109.4701	0.017	44	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CH3)2(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CH3)2(OH)	H(CCHH)	109.5144	1.576	58	109.5144	2.483	58	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	H(CCHH)	109.4676	0.023	5	109.4676	0.001	5	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]2O)(CH3)2(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]2O)(CH3)2(OH)	H(CCHH)	109.4838	0.055	4	109.4838	0.003	4	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	H(CCHH)	106.5950	1.232	3	106.5950	1.519	3	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	H(CCHH)	109.4677	0.050	6	109.4677	0.003	6	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	H(CCHH)	109.4545	0.006	2	109.4545	0.000	2	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	H(CCHH)	109.5033	0.029	3	109.5033	0.001	3	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)2(OH)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)2(OH)	H(CCHH)	109.4908	0.498	90	109.4908	0.248	90	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)2(OO)	H(CCHH)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)2(OO)	H(CCHH)	109.4917	0.014	4	109.4917	0.000	4	109.4969	0.944	272	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:S-2:	C-4:	C(CC[6]CS)(H)3	C(C[6]C[6]2H)(CH3)2(SC)	H(CCHH)	C(CC[6]CS)(H)3	C(C[6]C[6]2H)(CH3)2(SC)	H(CCHH)	109.5134	0.036	5	109.5134	0.001	5	109.5134	0.001	5	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:C-4:O-2:	C-4:	C(CC[5]C[6]O)(H)3	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(CCHH)	C(CC[5]C[6]O)(H)3	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CH3)(OH)	H(CCHH)	109.4665	0.047	21	109.4665	0.002	21	109.4665	0.002	21	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C-4:	C(CC[6]2O)(H)3	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	H(CCHH)	C(CC[6]2O)(H)3	C(C[6]C[5,6]C[6]H)(C[6]C[6]O[6]O)(CH3)(OH)	H(CCHH)	109.4750	0.047	2	109.4750	0.002	2	109.4750	0.002	2	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-2:	C-4:	C(CCCP)(H)3	C(PC[6a]3)(CH3)2(CC)	H(CCHH)	C(CCCP)(H)3	C(PC[6a]3)(CH3)2(CC)	H(CCHH)	109.4894	0.081	5	109.4894	0.007	5	109.4894	0.007	5	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:O-2:	C-4:	C(CCOP)(H)3	C(PC[6a]2Fe)(CH3)2(OSi)	H(CCHH)	C(CCOP)(H)3	C(PC[6a]2Fe)(CH3)2(OSi)	H(CCHH)	110.0483	0.636	6	110.0483	0.404	6	109.6708	0.212	17	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:O-2:	C-4:	C(CCOP)(H)3	C(PC[6a]2O)(CH3)2(OH)	H(CCHH)	C(CCOP)(H)3	C(PC[6a]2O)(CH3)2(OH)	H(CCHH)	109.4208	0.074	5	109.4208	0.006	5	109.6708	0.212	17	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:O-2:	C-4:	C(CCOP)(H)3	C(PC[6a]OO)(CCHH)(CH3)(OH)	H(CCHH)	C(CCOP)(H)3	C(PC[6a]OO)(CCHH)(CH3)(OH)	H(CCHH)	109.5015	0.037	6	109.5015	0.001	6	109.6708	0.212	17	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:O-2:	C-4:	C(COPP)(H)3	C(PCOO)2(CH3)(OH)	H(CCHH)	C(COPP)(H)3	C(PCOO)2(CH3)(OH)	H(CCHH)	109.4753	0.039	3	109.4753	0.001	3	109.4753	0.001	3	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:2:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:O-2:	C-4:	C(CP[6]CO)(H)3	C(P[6]O[6]2O)(CH3)2(OH)	H(CCHH)	C(CP[6]CO)(H)3	C(P[6]O[6]2O)(CH3)2(OH)	H(CCHH)	109.4776	0.055	12	109.4776	0.003	12	109.4776	0.003	12	109.4961	0.832	25401	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(Cl)(H)2	C(CClHH)(CH3)2(CNO)	H(CClCH)	C(CC3)(Cl)(H)2	C(CClHH)(CH3)2(CNO)	H(CClCH)	109.2170	0.026	4	109.2170	0.001	4	109.2170	0.001	4	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(Cl)(H)2	C(CClHH)(CCCH)(CH3)(NHS)	H(CClCH)	C(CCCN)(Cl)(H)2	C(CClHH)(CCCH)(CH3)(NHS)	H(CClCH)	109.0275	0.018	2	109.0275	0.000	2	109.0275	0.000	2	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:P-3:	C-4:	C(CBCP)(H)3	C(BH3)(CH3)2(PCC)	H(CCHH)	C(CBCP)(H)3	C(BH3)(CH3)2(PCC)	H(CCHH)	109.4696	0.035	5	109.4696	0.001	5	109.4696	0.001	5	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC3)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CC3)(CH3)2(CCH)	H(CCHH)	110.2968	2.550	24	110.2968	6.503	24	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCCH)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CCCH)(CH3)2(CCH)	H(CCHH)	109.4734	0.247	11	109.4734	0.061	11	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCCO)(CH3)2(CCN)	H(CCHH)	C(CC3)(H)3	C(CCCO)(CH3)2(CCN)	H(CCHH)	109.4771	0.023	13	109.4771	0.001	13	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CC3)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CC3)(CH3)(CCH)	H(CCHH)	109.4710	0.000	1	109.4710	0.000	1	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)(CCH)	H(CCHH)	109.4652	0.057	5	109.4652	0.003	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(CCH)	H(CCHH)	109.0392	1.689	23	109.0392	2.852	23	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(COO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(COO)	H(CCHH)	109.4783	0.037	3	109.4783	0.001	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)2(CCC)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)2(CCC)	H(CCHH)	109.7317	1.387	36	109.7317	1.924	36	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)2(CCH)	H(CCHH)	109.4720	0.029	53	109.4720	0.001	53	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)2(CCO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)2(CCO)	H(CCHH)	109.4763	0.027	10	109.4763	0.001	10	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)2(CHO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)2(CHO)	H(CCHH)	109.4574	0.043	8	109.4574	0.002	8	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)2(CNO)	H(CCHH)	109.9782	1.524	38	109.9782	2.323	38	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)2(COO)	H(CCHH)	109.4630	0.050	42	109.4630	0.003	42	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)(CHHO)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CHHO)(CH3)(CCH)	H(CCHH)	109.4545	0.032	4	109.4545	0.001	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)2(CH3)(CCO)	H(CCHH)	C(CC3)(H)3	C(CCHH)2(CH3)(CCO)	H(CCHH)	109.4689	0.028	13	109.4689	0.001	13	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHH)2(CH3)(CNO)	H(CCHH)	C(CC3)(H)3	C(CCHH)2(CH3)(CNO)	H(CCHH)	109.4683	0.035	3	109.4683	0.001	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHN)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CCHN)(CH3)2(CCH)	H(CCHH)	109.4628	0.032	11	109.4628	0.001	11	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHN)(CH3)2(CCN)	H(CCHH)	C(CC3)(H)3	C(CCHN)(CH3)2(CCN)	H(CCHH)	109.4942	0.036	6	109.4942	0.001	6	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHN)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CCHN)(CH3)2(CNO)	H(CCHH)	109.4676	0.027	14	109.4676	0.001	14	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHN)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CCHN)(CH3)2(COO)	H(CCHH)	109.4729	0.044	24	109.4729	0.002	24	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHO)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CCHO)(CH3)2(CCH)	H(CCHH)	109.4717	0.041	51	109.4717	0.002	51	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHO)(CH3)2(CCO)	H(CCHH)	C(CC3)(H)3	C(CCHO)(CH3)2(CCO)	H(CCHH)	109.3585	0.950	47	109.3585	0.902	47	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHO)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CCHO)(CH3)2(COO)	H(CCHH)	109.4779	0.018	8	109.4779	0.000	8	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CCHW)(CH3)2(CCO)	H(CCHH)	C(CC3)(H)3	C(CCHW)(CH3)2(CCO)	H(CCHH)	109.4582	0.019	4	109.4582	0.000	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[3]HH)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[3]HH)(CH3)2(CCH)	H(CCHH)	109.4682	0.018	5	109.4682	0.000	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[5]CC)(CH3)2(CCN)	H(CCHH)	C(CC3)(H)3	C(CC[5]CC)(CH3)2(CCN)	H(CCHH)	109.4624	0.039	13	109.4624	0.002	13	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCHH)	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCHH)	109.4580	0.031	8	109.4580	0.001	8	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[5]HH)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CC[5]HH)(CH3)2(COO)	H(CCHH)	109.4665	0.018	4	109.4665	0.000	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[5]HO)(CH3)2(CHO)	H(CCHH)	C(CC3)(H)3	C(CC[5]HO)(CH3)2(CHO)	H(CCHH)	109.4747	0.027	23	109.4747	0.001	23	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[5a]HO)(CH3)2(CCS)	H(CCHH)	C(CC3)(H)3	C(CC[5a]HO)(CH3)2(CCS)	H(CCHH)	109.4562	0.028	4	109.4562	0.001	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6]HN)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CC[6]HN)(CH3)2(COO)	H(CCHH)	109.4818	0.024	6	109.4818	0.001	6	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)(CCH)	H(CCHH)	109.4643	0.016	3	109.4643	0.000	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCH)	H(CCHH)	109.4663	0.018	4	109.4663	0.000	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCO)	H(CCHH)	109.4792	0.047	6	109.4792	0.002	6	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(COO)	H(CCHH)	109.4736	0.034	5	109.4736	0.001	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]CO)(CCHH)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CO)(CCHH)(CH3)(CCH)	H(CCHH)	109.4712	0.024	5	109.4712	0.001	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CCH)	H(CCHH)	109.4645	0.023	6	109.4645	0.001	6	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(CCO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(CCO)	H(CCHH)	109.4562	0.459	6	109.4562	0.211	6	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(COO)	H(CCHH)	109.4727	0.043	83	109.4727	0.002	83	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HH)(CHHS)(CH3)(CNO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HH)(CHHS)(CH3)(CNO)	H(CCHH)	109.4615	0.030	2	109.4615	0.001	2	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CCHH)	109.4772	0.018	5	109.4772	0.000	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(CNO)	H(CCHH)	109.4706	0.039	15	109.4706	0.001	15	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(COO)	H(CCHH)	109.5065	0.059	6	109.5065	0.003	6	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HN)(CHHP)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HN)(CHHP)(CH3)(CCH)	H(CCHH)	109.4417	0.017	3	109.4417	0.000	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCC)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCC)	H(CCHH)	111.5477	1.752	3	111.5477	3.071	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCH)	H(CCHH)	111.0880	0.306	3	111.0880	0.094	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCS)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCS)	H(CCHH)	109.4605	0.006	4	109.4605	0.000	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCH)	H(CCHH)	109.4678	0.027	9	109.4678	0.001	9	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCO)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCO)	H(CCHH)	109.4665	0.016	4	109.4665	0.000	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CHHS)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CHHS)(CH3)(CCH)	H(CCHH)	112.1250	0.374	3	112.1250	0.140	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	H(CCHH)	112.6547	2.987	3	112.6547	8.924	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CC[6a]HP)(CH3)2(CCN)	H(CCHH)	C(CC3)(H)3	C(CC[6a]HP)(CH3)2(CCN)	H(CCHH)	109.4553	0.036	4	109.4553	0.001	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CClHH)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CClHH)(CH3)2(CNO)	H(CCHH)	109.4606	0.028	11	109.4606	0.001	11	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CF3)2(CH3)(CNO)	H(CCHH)	C(CC3)(H)3	C(CF3)2(CH3)(CNO)	H(CCHH)	109.4720	0.046	3	109.4720	0.002	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CCC)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CCC)	H(CCHH)	109.8156	1.507	240	109.8156	2.271	240	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CCF)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CCF)	H(CCHH)	109.2223	3.341	25	109.2223	11.162	25	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CCH)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CCH)	H(CCHH)	109.4731	0.040	421	109.4731	0.002	421	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CCN)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CCN)	H(CCHH)	109.5757	0.734	1035	109.5757	0.539	1035	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CCO)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CCO)	H(CCHH)	109.4897	0.792	990	109.4897	0.627	990	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CCP)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CCP)	H(CCHH)	109.4748	0.043	76	109.4748	0.002	76	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CHN)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CHN)	H(CCHH)	110.2129	1.549	15	110.2129	2.401	15	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CHP)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CHP)	H(CCHH)	109.4721	0.044	19	109.4721	0.002	19	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CHV)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CHV)	H(CCHH)	109.4670	0.044	5	109.4670	0.002	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CHW)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CHW)	H(CCHH)	109.4754	0.074	36	109.4754	0.006	36	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CNN)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CNN)	H(CCHH)	109.5861	0.605	205	109.5861	0.367	205	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CNO)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CNO)	H(CCHH)	109.5130	0.735	1709	109.5130	0.540	1709	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CNP)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CNP)	H(CCHH)	110.1840	3.003	28	110.1840	9.017	28	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(COO)	H(CCHH)	C(CC3)(H)3	C(CH3)3(COO)	H(CCHH)	109.4413	1.438	1280	109.4413	2.069	1280	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(COS)	H(CCHH)	C(CC3)(H)3	C(CH3)3(COS)	H(CCHH)	109.4763	0.044	29	109.4763	0.002	29	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CH3)3(CPW)	H(CCHH)	C(CC3)(H)3	C(CH3)3(CPW)	H(CCHH)	109.4627	0.078	10	109.4627	0.006	10	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHN)(CH3)2(CHN)	H(CCHH)	C(CC3)(H)3	C(CHHN)(CH3)2(CHN)	H(CCHH)	109.4703	0.030	13	109.4703	0.001	13	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHN)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CHHN)(CH3)2(CNO)	H(CCHH)	109.4628	0.025	5	109.4628	0.001	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHN)(CHHS)(CH3)(CHN)	H(CCHH)	C(CC3)(H)3	C(CHHN)(CHHS)(CH3)(CHN)	H(CCHH)	109.4950	0.040	3	109.4950	0.002	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHN)2(CH3)(COO)	H(CCHH)	C(CC3)(H)3	C(CHHN)2(CH3)(COO)	H(CCHH)	109.4721	0.056	9	109.4721	0.003	9	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHO)(CC3)(CH3)(CCO)	H(CCHH)	C(CC3)(H)3	C(CHHO)(CC3)(CH3)(CCO)	H(CCHH)	110.2742	0.164	6	110.2742	0.027	6	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHO)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CHHO)(CH3)2(CNO)	H(CCHH)	109.4911	0.042	9	109.4911	0.002	9	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHO)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CHHO)(CH3)2(COO)	H(CCHH)	109.3829	0.201	21	109.3829	0.040	21	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHP)2(CH3)(CHP)	H(CCHH)	C(CC3)(H)3	C(CHHP)2(CH3)(CHP)	H(CCHH)	109.4500	0.064	3	109.4500	0.004	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CHHS)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CHHS)(CH3)2(CNO)	H(CCHH)	109.4690	0.019	5	109.4690	0.000	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CN[5a]HH)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CN[5a]HH)(CH3)2(CNO)	H(CCHH)	109.4663	0.025	4	109.4663	0.001	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CN[6]HH)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CN[6]HH)(CH3)2(COO)	H(CCHH)	109.4736	0.027	5	109.4736	0.001	5	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CNiHH)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CNiHH)(CH3)2(CNO)	H(CCHH)	109.4697	0.007	3	109.4697	0.000	3	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CPdCH)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CPdCH)(CH3)2(CNO)	H(CCHH)	110.4048	1.615	13	110.4048	2.609	13	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CPdHH)(CH3)2(CCN)	H(CCHH)	C(CC3)(H)3	C(CPdHH)(CH3)2(CCN)	H(CCHH)	109.4766	0.022	7	109.4766	0.000	7	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CPdHH)(CH3)2(CNO)	H(CCHH)	C(CC3)(H)3	C(CPdHH)(CH3)2(CNO)	H(CCHH)	109.4665	0.055	33	109.4665	0.003	33	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CPdHH)(CH3)2(COO)	H(CCHH)	C(CC3)(H)3	C(CPdHH)(CH3)2(COO)	H(CCHH)	109.4483	0.025	4	109.4483	0.001	4	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(H)3	C(CPtHH)(CH3)2(CCH)	H(CCHH)	C(CC3)(H)3	C(CPtHH)(CH3)2(CCH)	H(CCHH)	109.4720	0.031	10	109.4720	0.001	10	109.5239	0.937	6987	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCCH)(CCHO)(CH3)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CCHO)(CH3)(NHS)	H(CCHH)	109.5203	0.014	3	109.5203	0.000	3	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NHS)	H(CCHH)	109.4677	0.032	10	109.4677	0.001	10	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCCN)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CCCN)(CH3)2(NCH)	H(CCHH)	109.4856	0.087	5	109.4856	0.008	5	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCCN)(CH3)2(NNO)	H(CCHH)	C(CCCN)(H)3	C(CCCN)(CH3)2(NNO)	H(CCHH)	109.7410	1.423	6	109.7410	2.026	6	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCHH)(CF3)(CH3)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CF3)(CH3)(NHS)	H(CCHH)	109.4657	0.029	3	109.4657	0.001	3	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NCC)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NCC)	H(CCHH)	109.4776	0.029	10	109.4776	0.001	10	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	H(CCHH)	109.3984	0.792	126	109.3984	0.628	126	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NHH)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NHH)	H(CCHH)	109.4622	0.016	4	109.4622	0.000	4	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NHS)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NHS)	H(CCHH)	109.4653	0.038	10	109.4653	0.001	10	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCHH)2(CH3)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CCHH)2(CH3)(NCH)	H(CCHH)	109.5060	0.031	3	109.5060	0.001	3	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CCHN)(CH3)2(NOO)	H(CCHH)	C(CCCN)(H)3	C(CCHN)(CH3)2(NOO)	H(CCHH)	109.4707	0.020	4	109.4707	0.000	4	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[5]CH)(CH3)2(NOO)	H(CCHH)	C(CCCN)(H)3	C(CC[5]CH)(CH3)2(NOO)	H(CCHH)	109.4910	0.017	3	109.4910	0.000	3	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[5]HH)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CC[5]HH)(CH3)2(NCH)	H(CCHH)	109.4743	0.014	3	109.4743	0.000	3	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[5a]HH)(CH3)2(NOO)	H(CCHH)	C(CCCN)(H)3	C(CC[5a]HH)(CH3)2(NOO)	H(CCHH)	109.4806	0.031	5	109.4806	0.001	5	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[5a]HO)(CF3)(CH3)(NHO)	H(CCHH)	C(CCCN)(H)3	C(CC[5a]HO)(CF3)(CH3)(NHO)	H(CCHH)	109.4675	0.021	2	109.4675	0.000	2	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[6]HH)(CH3)2(NOO)	H(CCHH)	C(CCCN)(H)3	C(CC[6]HH)(CH3)2(NOO)	H(CCHH)	109.4600	0.038	5	109.4600	0.001	5	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]CH)(CF3)(CH3)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]CH)(CF3)(CH3)(NHS)	H(CCHH)	109.4760	0.012	3	109.4760	0.000	3	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]C[5]H)(CH3)2(NOO)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]C[5]H)(CH3)2(NOO)	H(CCHH)	109.4607	0.043	20	109.4607	0.002	20	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NCH)	H(CCHH)	109.4710	0.033	24	109.4710	0.001	24	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CC[6a]HN)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HN)(CH3)2(NCH)	H(CCHH)	109.4800	0.019	5	109.4800	0.000	5	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CClHH)(CCCH)(CH3)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CClHH)(CCCH)(CH3)(NHS)	H(CCHH)	109.4523	0.041	6	109.4523	0.002	6	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NBB)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NBB)	H(CCHH)	109.4679	0.042	9	109.4679	0.002	9	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NBC)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NBC)	H(CCHH)	109.4762	0.032	31	109.4762	0.001	31	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NBH)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NBH)	H(CCHH)	109.4776	0.052	72	109.4776	0.003	72	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCC)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCC)	H(CCHH)	109.6813	1.022	347	109.6813	1.044	347	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCH)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCH)	H(CCHH)	109.5666	0.868	1882	109.5666	0.754	1882	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCN)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCN)	H(CCHH)	109.4722	0.041	52	109.4722	0.002	52	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCO)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCO)	H(CCHH)	109.6072	1.542	243	109.6072	2.379	243	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCP)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCP)	H(CCHH)	109.4652	0.044	13	109.4652	0.002	13	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCU)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCU)	H(CCHH)	109.4667	0.053	52	109.4667	0.003	52	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCV)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCV)	H(CCHH)	109.4571	0.042	8	109.4571	0.002	8	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCW)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCW)	H(CCHH)	109.5085	0.130	19	109.5085	0.017	19	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NCY)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NCY)	H(CCHH)	109.4808	0.047	16	109.4808	0.002	16	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NHH)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NHH)	H(CCHH)	109.4758	0.033	11	109.4758	0.001	11	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NHN)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NHN)	H(CCHH)	110.4122	2.447	24	110.4122	5.988	24	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NHP)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NHP)	H(CCHH)	109.5048	0.427	145	109.5048	0.183	145	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NHS)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NHS)	H(CCHH)	109.9007	0.961	72	109.9007	0.923	72	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NNO)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NNO)	H(CCHH)	109.4765	0.240	18	109.4765	0.058	18	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NPP)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NPP)	H(CCHH)	109.4442	0.046	14	109.4442	0.002	14	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NPS)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NPS)	H(CCHH)	110.7737	3.385	9	110.7737	11.456	9	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NPY)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NPY)	H(CCHH)	109.4816	0.054	14	109.4816	0.003	14	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CH3)3(NSU)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NSU)	H(CCHH)	109.4487	0.032	7	109.4487	0.001	7	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHN)2(CH3)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CHHN)2(CH3)(NCH)	H(CCHH)	109.4882	0.046	9	109.4882	0.002	9	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHN)2(CH3)(NHH)	H(CCHH)	C(CCCN)(H)3	C(CHHN)2(CH3)(NHH)	H(CCHH)	109.4753	0.036	6	109.4753	0.001	6	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHN)2(CH3)(NOO)	H(CCHH)	C(CCCN)(H)3	C(CHHN)2(CH3)(NOO)	H(CCHH)	109.4744	0.055	11	109.4744	0.003	11	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)2(NCC)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)2(NCC)	H(CCHH)	109.4640	0.047	15	109.4640	0.002	15	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)2(NCH)	H(CCHH)	109.7767	0.820	34	109.7767	0.673	34	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)2(NCO)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)2(NCO)	H(CCHH)	109.4762	0.283	15	109.4762	0.080	15	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)2(NOO)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)2(NOO)	H(CCHH)	109.4627	0.035	10	109.4627	0.001	10	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)(CHHS)(CH3)(NHS)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CHHS)(CH3)(NHS)	H(CCHH)	109.4620	0.014	3	109.4620	0.000	3	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHO)2(CH3)(NCH)	H(CCHH)	C(CCCN)(H)3	C(CHHO)2(CH3)(NCH)	H(CCHH)	109.4740	0.031	6	109.4740	0.001	6	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHS)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CHHS)(CH3)2(NCH)	H(CCHH)	109.4758	0.059	12	109.4758	0.003	12	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHHS)(CH3)2(NHS)	H(CCHH)	C(CCCN)(H)3	C(CHHS)(CH3)2(NHS)	H(CCHH)	109.5146	0.023	5	109.5146	0.001	5	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(H)3	C(CHNO)(CH3)2(NCH)	H(CCHH)	C(CCCN)(H)3	C(CHNO)(CH3)2(NCH)	H(CCHH)	109.4825	0.046	4	109.4825	0.002	4	109.5755	0.825	3448	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-3:	C-4:	C(CCCO)(H)3	C(CH3)3(OWW)	H(CCHH)	C(CCCO)(H)3	C(CH3)3(OWW)	H(CCHH)	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PBC)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PBC)	H(CCHH)	109.4789	0.045	47	109.4789	0.002	47	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PCC)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PCC)	H(CCHH)	109.6899	1.468	714	109.6899	2.154	714	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PCI)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PCI)	H(CCHH)	109.4936	0.034	5	109.4936	0.001	5	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PCN)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PCN)	H(CCHH)	109.4715	0.041	71	109.4715	0.002	71	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PCO)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PCO)	H(CCHH)	109.4757	0.054	42	109.4757	0.003	42	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PCP)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PCP)	H(CCHH)	109.4770	0.039	93	109.4770	0.001	93	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PNP)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PNP)	H(CCHH)	109.4759	0.036	16	109.4759	0.001	16	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(POO)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(POO)	H(CCHH)	109.4717	0.037	10	109.4717	0.001	10	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PPP)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PPP)	H(CCHH)	109.4623	0.515	23	109.4623	0.265	23	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-3:	C-4:	C(CCCP)(H)3	C(CH3)3(PSS)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PSS)	H(CCHH)	109.4812	0.069	9	109.4812	0.005	9	109.6240	1.508	1030	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-3:	C-4:	C(CCCS)(H)3	C(CH3)3(SCN)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SCN)	H(CCHH)	109.4683	0.029	7	109.4683	0.001	7	109.5115	0.839	1910	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-3:	C-4:	C(CCCS)(H)3	C(CH3)3(SCO)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SCO)	H(CCHH)	109.4758	0.039	34	109.4758	0.002	34	109.5115	0.839	1910	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-3:	C-4:	C(CCCS)(H)3	C(CH3)3(SNO)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SNO)	H(CCHH)	109.5123	0.926	1869	109.5123	0.857	1869	109.5115	0.839	1910	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)(NH3)(COO)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)(NH3)(COO)	H(CCHH)	109.4723	0.026	11	109.4723	0.001	11	109.3543	0.933	57	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(H)3	C(CC[6a]HH)(CH3)(NH3)(COO)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HH)(CH3)(NH3)(COO)	H(CCHH)	109.4497	0.042	3	109.4497	0.002	3	109.3543	0.933	57	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(H)3	C(CH3)2(NH3)(COO)	H(CCHH)	C(CCCN)(H)3	C(CH3)2(NH3)(COO)	H(CCHH)	109.2779	1.252	34	109.2779	1.567	34	109.3543	0.933	57	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(H)3	C(CSiHH)(CH3)(NH3)(COO)	H(CCHH)	C(CCCN)(H)3	C(CSiHH)(CH3)(NH3)(COO)	H(CCHH)	109.4670	0.031	9	109.4670	0.001	9	109.3543	0.933	57	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:N-3:	C-4:	C(CCNP)(H)3	C(CCCH)(CH3)(PO3)(NOO)	H(CCHH)	C(CCNP)(H)3	C(CCCH)(CH3)(PO3)(NOO)	H(CCHH)	109.9687	4.125	3	109.9687	17.013	3	109.6174	3.840	10	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:N-3:	C-4:	C(CCNP)(H)3	C(CCHH)(CH3)(PO3)(NOO)	H(CCHH)	C(CCNP)(H)3	C(CCHH)(CH3)(PO3)(NOO)	H(CCHH)	109.4663	0.033	3	109.4663	0.001	3	109.6174	3.840	10	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:P-4:N-3:	C-4:	C(CCNP)(H)3	C(CH3)2(PO3)(NCO)	H(CCHH)	C(CCNP)(H)3	C(CH3)2(PO3)(NCO)	H(CCHH)	109.4672	0.026	4	109.4672	0.001	4	109.6174	3.840	10	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(CSiHH)(NRhHH)(CH3)(COO)	H(CCHH)	C(CCCN)(H)3	C(CSiHH)(NRhHH)(CH3)(COO)	H(CCHH)	109.4695	0.029	2	109.4695	0.001	2	109.4695	0.001	2	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:Si-4:C-4:C-3:	C-4:	C(CSiCC)(H)3	C(CCHN)(SiC3)(CH3)(CCH)	H(CCHH)	C(CSiCC)(H)3	C(CCHN)(SiC3)(CH3)(CCH)	H(CCHH)	109.4864	0.036	5	109.4864	0.001	5	109.4864	0.001	5	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:C-3:	C-4:	C(CC[3,5]CC)(H)3	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	H(CCHH)	C(CC[3,5]CC)(H)3	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	H(CCHH)	109.4930	0.021	3	109.4930	0.000	3	109.4930	0.000	3	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:C-3:	C-4:	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	H(CCHH)	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	H(CCHH)	109.4768	0.031	13	109.4768	0.001	13	109.4768	0.001	13	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:C-3:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(CNO)	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(CNO)	H(CCHH)	110.3445	4.263	6	110.3445	18.172	6	110.1555	10.495	12	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:C-3:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	H(CCHH)	109.9665	2.198	6	109.9665	4.831	6	110.1555	10.495	12	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(CCO)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(CCO)	H(CCHH)	109.4710	0.010	2	109.4710	0.000	2	109.4737	0.001	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	H(CCHH)	109.4740	0.017	5	109.4740	0.000	5	109.4737	0.001	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	H(CCHH)	109.4694	0.049	9	109.4694	0.002	9	109.4737	0.001	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)2(CHO)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)2(CHO)	H(CCHH)	109.4882	0.057	5	109.4882	0.003	5	109.4737	0.001	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-3:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CH3)2(CCH)	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CH3)2(CCH)	H(CCHH)	109.4678	0.022	5	109.4678	0.000	5	109.4737	0.001	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:N-3:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	H(CCHH)	109.4548	0.028	5	109.4548	0.001	5	109.4549	0.001	10	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:N-3:	C-4:	C(CC[5]CN)(H)3	C(C[5]C[5]N[5]H)(CH3)2(NCC)	H(CCHH)	C(CC[5]CN)(H)3	C(C[5]C[5]N[5]H)(CH3)2(NCC)	H(CCHH)	109.4550	0.025	5	109.4550	0.001	5	109.4549	0.001	10	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(COO)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(COO)	H(CCHH)	109.4767	0.055	6	109.4767	0.003	6	109.4756	0.002	41	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(CCC)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(CCC)	H(CCHH)	109.4520	0.031	4	109.4520	0.001	4	109.4756	0.002	41	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(COO)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(COO)	H(CCHH)	109.4816	0.041	26	109.4816	0.002	26	109.4756	0.002	41	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-3:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CH3)2(COO)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CH3)2(COO)	H(CCHH)	109.4616	0.031	5	109.4616	0.001	5	109.4756	0.002	41	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NCH)	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NCH)	H(CCHH)	109.4656	0.032	16	109.4656	0.001	16	109.4690	0.001	19	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C-4:	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	H(CCHH)	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	H(CCHH)	109.4873	0.028	3	109.4873	0.001	3	109.4690	0.001	19	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCHH)(CH3)2(COO)	H(CCHH)	C(CCCN)(H)3	C(NCHH)(CH3)2(COO)	H(CCHH)	109.4834	0.027	12	109.4834	0.001	12	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NC[6a]NiH)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NC[6a]NiH)(CH3)2(CCN)	H(CCHH)	109.4682	0.021	5	109.4682	0.000	5	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCoCH)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NCoCH)(CH3)2(CCN)	H(CCHH)	109.4527	0.058	7	109.4527	0.003	7	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCoHH)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NCoHH)(CH3)2(CNO)	H(CCHH)	110.6913	2.676	6	110.6913	7.163	6	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCoHH)(CHOO)(CH3)(COO)	H(CCHH)	C(CCCN)(H)3	C(NCoHH)(CHOO)(CH3)(COO)	H(CCHH)	109.4958	0.055	4	109.4958	0.003	4	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)(CHH)	H(CCHH)	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)(CHH)	H(CCHH)	109.7583	3.313	3	109.7583	10.975	3	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NCuCH)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NCuCH)(CH3)2(CCN)	H(CCHH)	109.7624	2.616	12	109.7624	6.842	12	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NIrHH)(CH3)2(COO)	H(CCHH)	C(CCCN)(H)3	C(NIrHH)(CH3)2(COO)	H(CCHH)	109.4670	0.033	12	109.4670	0.001	12	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NNiCC)(CH3)2(CHN)	H(CCHH)	C(CCCN)(H)3	C(NNiCC)(CH3)2(CHN)	H(CCHH)	109.4611	0.037	15	109.4611	0.001	15	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NNiCH)(CH3)2(CCH)	H(CCHH)	C(CCCN)(H)3	C(NNiCH)(CH3)2(CCH)	H(CCHH)	109.4773	0.152	6	109.4773	0.023	6	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NNiCH)(CH3)2(CNO)	H(CCHH)	C(CCCN)(H)3	C(NNiCH)(CH3)2(CNO)	H(CCHH)	109.4694	0.036	34	109.4694	0.001	34	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NPdCC)(CH3)2(CHN)	H(CCHH)	C(CCCN)(H)3	C(NPdCC)(CH3)2(CHN)	H(CCHH)	109.4663	0.042	8	109.4663	0.002	8	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NPtCC)(CH3)2(CHN)	H(CCHH)	C(CCCN)(H)3	C(NPtCC)(CH3)2(CHN)	H(CCHH)	109.4578	0.057	5	109.4578	0.003	5	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NPtHO)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NPtHO)(CH3)2(CCN)	H(CCHH)	109.4543	0.030	4	109.4543	0.001	4	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(H)3	C(NTcCH)(CH3)2(CCN)	H(CCHH)	C(CCCN)(H)3	C(NTcCH)(CH3)2(CCN)	H(CCHH)	110.6942	0.875	12	110.6942	0.765	12	109.6509	1.147	145	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-3:	C-4:	C(CN[4]CC)(H)3	C(N[4]C[4]2Ni)(CH3)2(CHN)	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]C[4]2Ni)(CH3)2(CHN)	H(CCHH)	109.4760	0.053	5	109.4760	0.003	5	109.4760	0.003	5	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:C-3:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2Ni)(CH3)2(CHN)	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2Ni)(CH3)2(CHN)	H(CCHH)	109.4982	0.039	6	109.4982	0.002	6	109.4982	0.002	6	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-3:	C-4:	C(CCCP)(H)3	C(PC[6a]2Ir)(CH3)2(CHN)	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Ir)(CH3)2(CHN)	H(CCHH)	109.4540	0.038	10	109.4540	0.001	10	109.9601	2.020	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-3:	C-4:	C(CCCP)(H)3	C(PC[6a]2Pd)(CH3)2(CHN)	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Pd)(CH3)2(CHN)	H(CCHH)	109.4853	0.071	6	109.4853	0.005	6	109.9601	2.020	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-3:	C-4:	C(CCCP)(H)3	C(PC[6a]2Rh)(CH3)2(CHN)	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Rh)(CH3)2(CHN)	H(CCHH)	109.4840	0.019	4	109.4840	0.000	4	109.9601	2.020	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-3:	C-4:	C(CCCP)(H)3	C(PPdCC)(CH3)2(CHH)	H(CCHH)	C(CCCP)(H)3	C(PPdCC)(CH3)2(CHH)	H(CCHH)	111.5958	2.433	6	111.5958	5.919	6	109.9601	2.020	26	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SC[6a]OO)(CCCH)(CH3)(COO)	H(CCHH)	C(CCCS)(H)3	C(SC[6a]OO)(CCCH)(CH3)(COO)	H(CCHH)	109.4553	0.029	3	109.4553	0.001	3	109.7180	21.000	31	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SFeOO)(CH3)2(CNO)	H(CCHH)	C(CCCS)(H)3	C(SFeOO)(CH3)2(CNO)	H(CCHH)	110.0473	2.518	12	110.0473	6.339	12	109.7180	21.000	31	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SNOO)(CH3)2(CNO)	H(CCHH)	C(CCCS)(H)3	C(SNOO)(CH3)2(CNO)	H(CCHH)	109.4690	0.021	4	109.4690	0.000	4	109.7180	21.000	31	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SN[5]OO)(CH3)2(CHH)	H(CCHH)	C(CCCS)(H)3	C(SN[5]OO)(CH3)2(CHH)	H(CCHH)	112.0312	9.242	6	112.0312	85.414	6	109.7180	21.000	31	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-3:	C-4:	C(CCCS)(H)3	C(SNiOO)(CH3)2(CNO)	H(CCHH)	C(CCCS)(H)3	C(SNiOO)(CH3)2(CNO)	H(CCHH)	107.0435	3.359	6	107.0435	11.281	6	109.7180	21.000	31	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:N-3:	C-4:	C(CCNS)(H)3	C(SC[6a]OO)(CCHH)(CH3)(NOO)	H(CCHH)	C(CCNS)(H)3	C(SC[6a]OO)(CCHH)(CH3)(NOO)	H(CCHH)	109.4733	0.027	3	109.4733	0.001	3	109.4733	0.001	3	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-3:	C-4:	C(CSiCC)(H)3	C(SiCCN)(CH3)2(CHH)	H(CCHH)	C(CSiCC)(H)3	C(SiCCN)(CH3)2(CHH)	H(CCHH)	109.6370	10.109	6	109.6370	102.188	6	110.7010	44.275	24	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-3:	C-4:	C(CSiCC)(H)3	C(SiCCO)(CH3)2(CHH)	H(CCHH)	C(CSiCC)(H)3	C(SiCCO)(CH3)2(CHH)	H(CCHH)	111.4681	4.806	12	111.4681	23.097	12	110.7010	44.275	24	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-3:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2O)(CH3)2(CHH)	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2O)(CH3)2(CHH)	H(CCHH)	110.2307	6.901	6	110.2307	47.626	6	110.7010	44.275	24	109.5464	1.062	13825	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Br)(H)2	C(CBrHH)(CHHO)(CH3)2	H(CBrCH)	C(CC3)(Br)(H)2	C(CBrHH)(CHHO)(CH3)2	H(CBrCH)	108.8490	0.011	2	108.8490	0.000	2	108.5992	0.094	27	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Br)(H)2	C(CBrHH)3(CHHO)	H(CBrCH)	C(CC3)(Br)(H)2	C(CBrHH)3(CHHO)	H(CBrCH)	108.8042	0.160	10	108.8042	0.025	10	108.5992	0.094	27	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Br)(H)2	C(CN[5]HH)2(CBrHH)2	H(CBrCH)	C(CC3)(Br)(H)2	C(CN[5]HH)2(CBrHH)2	H(CBrCH)	108.5171	0.285	8	108.5171	0.081	8	108.5992	0.094	27	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Br)(H)2	C(CN[5a]HH)3(CBrHH)	H(CBrCH)	C(CC3)(Br)(H)2	C(CN[5a]HH)3(CBrHH)	H(CBrCH)	107.9275	0.022	2	107.9275	0.000	2	108.5992	0.094	27	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Br-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Br)(H)2	C(CN[6]HH)(CBrHH)3	H(CBrCH)	C(CC3)(Br)(H)2	C(CN[6]HH)(CBrHH)3	H(CBrCH)	108.4894	0.149	5	108.4894	0.022	5	108.5992	0.094	27	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Cl)(H)2	C(CAsHH)2(CClHH)(CH3)	H(CClCH)	C(CC3)(Cl)(H)2	C(CAsHH)2(CClHH)(CH3)	H(CClCH)	107.5975	0.127	2	107.5975	0.016	2	108.6312	0.414	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Cl)(H)2	C(CClHH)2(CHHO)2	H(CClCH)	C(CC3)(Cl)(H)2	C(CClHH)2(CHHO)2	H(CClCH)	108.9970	0.092	4	108.9970	0.008	4	108.6312	0.414	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:Cl-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(Cl)(H)2	C(CClHH)2(CSbHH)2	H(CClCH)	C(CC3)(Cl)(H)2	C(CClHH)2(CSbHH)2	H(CClCH)	108.9335	0.008	2	108.9335	0.000	2	108.6312	0.414	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:C-4:C-4:	C-4:	C(CAsCC)(H)3	C(AsIrCO)(CH3)3	H(CCHH)	C(CAsCC)(H)3	C(AsIrCO)(CH3)3	H(CCHH)	109.4603	0.047	18	109.4603	0.002	18	109.4784	0.232	221	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:C-4:C-4:	C-4:	C(CAsCC)(H)3	C(AsMoCC)(CH3)3	H(CCHH)	C(CAsCC)(H)3	C(AsMoCC)(CH3)3	H(CCHH)	109.4719	0.536	103	109.4719	0.287	103	109.4784	0.232	221	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:C-4:C-4:	C-4:	C(CAsCC)(H)3	C(AsPdCC)(CH3)3	H(CCHH)	C(CAsCC)(H)3	C(AsPdCC)(CH3)3	H(CCHH)	109.4829	0.056	13	109.4829	0.003	13	109.4784	0.232	221	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	As-4:C-4:C-4:C-4:	C-4:	C(CAsCC)(H)3	C(AsRuCC)(CH3)3	H(CCHH)	C(CAsCC)(H)3	C(AsRuCC)(CH3)3	H(CCHH)	109.4890	0.502	87	109.4890	0.252	87	109.4784	0.232	221	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	As[4]-4:C-4:C-4:C-4:	C-4:	C(CAs[4]CC)(H)3	C(As[4]In[4]2C)(CH3)3	H(CCHH)	C(CAs[4]CC)(H)3	C(As[4]In[4]2C)(CH3)3	H(CCHH)	109.4826	0.038	12	109.4826	0.001	12	109.4826	0.001	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BC[5]N[6]H)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BC[5]N[6]H)(CH3)3	H(CCHH)	109.4618	0.021	5	109.4618	0.000	5	109.4745	0.001	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BC[5]Te2)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BC[5]Te2)(CH3)3	H(CCHH)	109.4742	0.021	10	109.4742	0.000	10	109.4745	0.001	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BC[6]N[5]2)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BC[6]N[5]2)(CH3)3	H(CCHH)	109.4931	0.042	7	109.4931	0.002	7	109.4745	0.001	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BC[6]N[5]O)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BC[6]N[5]O)(CH3)3	H(CCHH)	109.4924	0.043	7	109.4924	0.002	7	109.4745	0.001	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BClBP)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BClBP)(CH3)3	H(CCHH)	109.4676	0.043	9	109.4676	0.002	9	109.4745	0.001	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BN[5]2O)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BN[5]2O)(CH3)3	H(CCHH)	109.4650	0.021	5	109.4650	0.000	5	109.4745	0.001	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C-4:	C(CBCC)(H)3	C(BN[5]3)(CH3)3	H(CCHH)	C(CBCC)(H)3	C(BN[5]3)(CH3)3	H(CCHH)	109.4694	0.029	16	109.4694	0.001	16	109.4745	0.001	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[3]-4:C-4:C-4:C-4:	C-4:	C(CB[3]CC)(H)3	C(B[3]C[3]C[5]N[3])(CH3)3	H(CCHH)	C(CB[3]CC)(H)3	C(B[3]C[3]C[5]N[3])(CH3)3	H(CCHH)	109.4740	0.023	6	109.4740	0.001	6	109.4725	0.000	15	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[3]-4:C-4:C-4:C-4:	C-4:	C(CB[3]CC)(H)3	C(B[3]C[5]S[3]2)(CH3)3	H(CCHH)	C(CB[3]CC)(H)3	C(B[3]C[5]S[3]2)(CH3)3	H(CCHH)	109.4737	0.010	3	109.4737	0.000	3	109.4725	0.000	15	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[3]-4:C-4:C-4:C-4:	C-4:	C(CB[3]CC)(H)3	C(B[3]Se[3]2C[5])(CH3)3	H(CCHH)	C(CB[3]CC)(H)3	C(B[3]Se[3]2C[5])(CH3)3	H(CCHH)	109.4705	0.016	6	109.4705	0.000	6	109.4725	0.000	15	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[3x4]-4:C-4:C-4:C-4:	C-4:	C(CB[3x4]CC)(H)3	C(B[3x4]Se[4,4]P[4,4]2)(CH3)3	H(CCHH)	C(CB[3x4]CC)(H)3	C(B[3x4]Se[4,4]P[4,4]2)(CH3)3	H(CCHH)	109.4746	0.043	11	109.4746	0.002	11	109.4746	0.002	11	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]C[4]N[4]Rh)(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]C[4]N[4]Rh)(CH3)3	H(CCHH)	109.4655	0.032	14	109.4655	0.001	14	109.4666	0.001	74	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]C[5]S[4]2)(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]C[5]S[4]2)(CH3)3	H(CCHH)	109.4782	0.027	6	109.4782	0.001	6	109.4666	0.001	74	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]P[4]2Br)(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]P[4]2Br)(CH3)3	H(CCHH)	109.4458	0.056	6	109.4458	0.003	6	109.4666	0.001	74	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]P[4]2Cl)(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]P[4]2Cl)(CH3)3	H(CCHH)	109.4705	0.035	11	109.4705	0.001	11	109.4666	0.001	74	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]P[4]2H)(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]P[4]2H)(CH3)3	H(CCHH)	109.4617	0.036	12	109.4617	0.001	12	109.4666	0.001	74	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]P[4]2Sn)(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]P[4]2Sn)(CH3)3	H(CCHH)	109.4566	0.026	5	109.4566	0.001	5	109.4666	0.001	74	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[4]-4:C-4:C-4:C-4:	C-4:	C(CB[4]CC)(H)3	C(B[4]Se[4]2C[5])(CH3)3	H(CCHH)	C(CB[4]CC)(H)3	C(B[4]Se[4]2C[5])(CH3)3	H(CCHH)	109.4735	0.031	20	109.4735	0.001	20	109.4666	0.001	74	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[5]-4:C-4:C-4:C-4:	C-4:	C(CB[5]CC)(H)3	C(B[5]C[5,5]C[5]Cl)(CH3)3	H(CCHH)	C(CB[5]CC)(H)3	C(B[5]C[5,5]C[5]Cl)(CH3)3	H(CCHH)	109.4658	0.029	5	109.4658	0.001	5	109.4658	0.001	5	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[6]-4:C-4:C-4:C-4:	C-4:	C(CB[6]CC)(H)3	C(B[6]N[5,6]2C[6a])(CH3)3	H(CCHH)	C(CB[6]CC)(H)3	C(B[6]N[5,6]2C[6a])(CH3)3	H(CCHH)	109.4702	0.025	9	109.4702	0.001	9	109.4702	0.001	9	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAl2C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAl2C)(CH3)3	H(CCHH)	109.4712	0.027	13	109.4712	0.001	13	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAlHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAlHH)(CH3)3	H(CCHH)	109.4624	0.041	28	109.4624	0.002	28	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAlNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAlNN)(CH3)3	H(CCHH)	109.4775	0.029	41	109.4775	0.001	41	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAsHH)2(CClHH)(CH3)	H(CCHH)	C(CC3)(H)3	C(CAsHH)2(CClHH)(CH3)	H(CCHH)	109.4640	0.051	3	109.4640	0.003	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAsHH)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CAsHH)3(CH3)	H(CCHH)	109.4123	0.064	3	109.4123	0.004	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CAu2C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CAu2C)(CH3)3	H(CCHH)	109.4567	0.040	7	109.4567	0.002	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CBHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CBHH)(CH3)3	H(CCHH)	110.1817	2.115	27	110.1817	4.472	27	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CBr2C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CBr2C)(CH3)3	H(CCHH)	109.4713	0.009	3	109.4713	0.000	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CBrCH)(CC3)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CBrCH)(CC3)(CH3)2	H(CCHH)	109.4848	0.020	6	109.4848	0.000	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CBrCH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CBrCH)(CCHH)(CH3)2	H(CCHH)	110.3977	2.422	12	110.3977	5.867	12	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CBrCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CBrCH)(CH3)3	H(CCHH)	109.4750	0.031	6	109.4750	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CBrHH)(CHHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CBrHH)(CHHO)(CH3)2	H(CCHH)	109.4508	0.064	6	109.4508	0.004	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC3)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC3)(CH3)3	H(CCHH)	109.4845	0.042	8	109.4845	0.002	8	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCCH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCCH)(CCHH)(CH3)2	H(CCHH)	109.4822	0.049	6	109.4822	0.002	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCCH)(CH3)3	H(CCHH)	109.8302	1.609	187	109.8302	2.590	187	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCCH)(CHHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCCH)(CHHO)(CH3)2	H(CCHH)	109.4426	0.053	5	109.4426	0.003	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCCH)2(CCHH)(CH3)	H(CCHH)	C(CC3)(H)3	C(CCCH)2(CCHH)(CH3)	H(CCHH)	109.4703	0.032	6	109.4703	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCCO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCCO)(CH3)3	H(CCHH)	109.4696	0.051	262	109.4696	0.003	262	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CC3)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHH)(CC3)(CH3)2	H(CCHH)	109.4900	0.038	6	109.4900	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CCHN)(CF3)(CH3)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CCHN)(CF3)(CH3)	H(CCHH)	109.4663	0.030	3	109.4663	0.001	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)2	H(CCHH)	109.4690	0.006	2	109.4690	0.000	2	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	H(CCHH)	109.8972	1.227	31	109.8972	1.506	31	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCHH)(CH3)3	H(CCHH)	109.5483	0.851	846	109.5483	0.724	846	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	H(CCHH)	109.4669	0.039	11	109.4669	0.002	11	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CHHP)2(CH3)	H(CCHH)	C(CC3)(H)3	C(CCHH)(CHHP)2(CH3)	H(CCHH)	109.4823	0.037	6	109.4823	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)(CHHS)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHH)(CHHS)(CH3)2	H(CCHH)	109.4666	0.017	5	109.4666	0.000	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)2(CCHN)(CH3)	H(CCHH)	C(CC3)(H)3	C(CCHH)2(CCHN)(CH3)	H(CCHH)	109.4762	0.020	4	109.4762	0.000	4	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)2(CCHO)(CH3)	H(CCHH)	C(CC3)(H)3	C(CCHH)2(CCHO)(CH3)	H(CCHH)	109.4610	0.026	6	109.4610	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHH)2(CH3)2	H(CCHH)	109.6105	1.004	72	109.6105	1.008	72	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHH)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CCHH)3(CH3)	H(CCHH)	109.5097	0.019	3	109.5097	0.000	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHI)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCHI)(CH3)3	H(CCHH)	109.4626	0.045	15	109.4626	0.002	15	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCHN)(CH3)3	H(CCHH)	109.5263	0.641	522	109.5263	0.411	522	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHN)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHN)2(CH3)2	H(CCHH)	109.5064	0.035	5	109.5064	0.001	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCHO)(CH3)3	H(CCHH)	109.8480	1.211	304	109.8480	1.466	304	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHO)(CHHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHO)(CHHO)(CH3)2	H(CCHH)	109.4603	0.038	4	109.4603	0.001	4	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHO)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCHO)2(CH3)2	H(CCHH)	109.4536	0.126	5	109.4536	0.016	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCHP)(CH3)3	H(CCHH)	109.4712	0.040	6	109.4712	0.002	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCHW)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCHW)(CH3)3	H(CCHH)	109.4567	0.031	6	109.4567	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[3]CH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[3]CH)(CCHH)(CH3)2	H(CCHH)	109.4595	0.029	13	109.4595	0.001	13	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[3]CO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[3]CO)(CH3)3	H(CCHH)	109.4679	0.042	7	109.4679	0.002	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[4]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[4]HH)(CH3)3	H(CCHH)	109.4838	0.039	12	109.4838	0.001	12	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5,5]N[5]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5,5]N[5]H)(CH3)3	H(CCHH)	109.4590	0.039	7	109.4590	0.002	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]BrH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]BrH)(CH3)3	H(CCHH)	109.4712	0.023	5	109.4712	0.001	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]CH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	H(CCHH)	109.6432	0.823	100	109.6432	0.678	100	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]ClH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]ClH)(CH3)3	H(CCHH)	109.4717	0.042	7	109.4717	0.002	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	H(CCHH)	110.4523	1.165	30	110.4523	1.358	30	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]HH)(CF3)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[5]HH)(CF3)(CH3)2	H(CCHH)	109.4638	0.052	6	109.4638	0.003	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]HH)(CH3)3	H(CCHH)	109.4443	0.705	240	109.4443	0.497	240	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]HI)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]HI)(CH3)3	H(CCHH)	109.4698	0.038	6	109.4698	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]HO)(CCHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[5]HO)(CCHO)(CH3)2	H(CCHH)	109.4800	0.064	10	109.4800	0.004	10	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]HO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]HO)(CH3)3	H(CCHH)	109.4676	0.035	27	109.4676	0.001	27	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]HW)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]HW)(CH3)3	H(CCHH)	109.4615	0.032	4	109.4615	0.001	4	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]MoH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]MoH)(CH3)3	H(CCHH)	109.4890	0.036	6	109.4890	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]2C[6a])(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]2C[6a])(CH3)3	H(CCHH)	110.7140	2.299	9	110.7140	5.286	9	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]CO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]CO)(CH3)3	H(CCHH)	109.4799	0.039	8	109.4799	0.002	8	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]HH)(CC[5]HH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[5a]HH)(CC[5]HH)(CH3)2	H(CCHH)	109.4857	0.037	4	109.4857	0.001	4	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]HH)(CH3)3	H(CCHH)	109.9271	0.818	29	109.9271	0.669	29	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]HN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]HN)(CH3)3	H(CCHH)	109.4678	0.036	6	109.4678	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5a]N[5]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5a]N[5]H)(CH3)3	H(CCHH)	109.4832	0.016	5	109.4832	0.000	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6,6]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6,6]HH)(CH3)3	H(CCHH)	109.4764	0.048	18	109.4764	0.002	18	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6,6]HO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6,6]HO)(CH3)3	H(CCHH)	111.0908	1.545	9	111.0908	2.387	9	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]2F)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]2F)(CH3)3	H(CCHH)	109.4741	0.036	9	109.4741	0.001	9	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]2F)(CNiHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6]2F)(CNiHH)(CH3)2	H(CCHH)	109.4669	0.029	10	109.4669	0.001	10	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]2H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]2H)(CH3)3	H(CCHH)	109.5241	0.067	12	109.5241	0.004	12	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CCHH)	C(CC3)(H)3	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CCHH)	109.4397	0.059	3	109.4397	0.003	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]HH)(CH3)3	H(CCHH)	109.4965	0.051	15	109.4965	0.003	15	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]HN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]HN)(CH3)3	H(CCHH)	109.4263	0.040	6	109.4263	0.002	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6]HO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6]HO)(CH3)3	H(CCHH)	109.4743	0.040	32	109.4743	0.002	32	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]2H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]2H)(CH3)3	H(CCHH)	109.7027	1.100	34	109.7027	1.210	34	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)2	H(CCHH)	109.4592	0.030	4	109.4592	0.001	4	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]CC)(CC[6a]HO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]CC)(CC[6a]HO)(CH3)2	H(CCHH)	109.4597	0.038	4	109.4597	0.001	4	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CCHH)	109.4400	0.076	6	109.4400	0.006	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]CH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]CH)(CH3)3	H(CCHH)	109.4735	0.026	33	109.4735	0.001	33	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	H(CCHH)	109.4681	0.043	200	109.4681	0.002	200	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]C[6]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]C[6]H)(CH3)3	H(CCHH)	109.4830	0.028	7	109.4830	0.001	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]C[6]Mn)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]C[6]Mn)(CH3)3	H(CCHH)	109.4771	0.061	35	109.4771	0.004	35	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]HH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]HH)(CCHH)(CH3)2	H(CCHH)	109.4643	0.046	6	109.4643	0.002	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]HH)(CH3)3	H(CCHH)	109.4527	0.085	33	109.4527	0.007	33	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]HN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]HN)(CH3)3	H(CCHH)	109.4699	0.285	21	109.4699	0.081	21	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)2	H(CCHH)	109.3148	2.233	16	109.3148	4.985	16	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]HO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]HO)(CH3)3	H(CCHH)	109.4793	0.043	35	109.4793	0.002	35	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[6a]N[5]H)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[6a]N[5]H)(CH3)3	H(CCHH)	109.4728	0.047	90	109.4728	0.002	90	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCaNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCaNN)(CH3)3	H(CCHH)	109.4726	0.053	39	109.4726	0.003	39	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCeCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCeCC)(CH3)3	H(CCHH)	109.4794	0.043	16	109.4794	0.002	16	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCeNO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCeNO)(CH3)3	H(CCHH)	109.4688	0.057	17	109.4688	0.003	17	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CClCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CClCH)(CH3)3	H(CCHH)	109.6268	1.513	26	109.6268	2.288	26	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCo2C)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CCo2C)(CCHH)(CH3)2	H(CCHH)	109.4587	0.058	16	109.4587	0.003	16	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCoCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCoCC)(CH3)3	H(CCHH)	109.4976	0.042	5	109.4976	0.002	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCoCN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCoCN)(CH3)3	H(CCHH)	109.4715	0.049	16	109.4715	0.002	16	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCoCW)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCoCW)(CH3)3	H(CCHH)	109.4978	0.054	6	109.4978	0.003	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCoHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCoHH)(CH3)3	H(CCHH)	109.4670	0.059	17	109.4670	0.003	17	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCoMoC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCoMoC)(CH3)3	H(CCHH)	109.4916	0.057	17	109.4916	0.003	17	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCoOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCoOO)(CH3)3	H(CCHH)	109.4562	0.044	6	109.4562	0.002	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCrHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCrHH)(CH3)3	H(CCHH)	109.9017	0.920	28	109.9017	0.846	28	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCrNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCrNN)(CH3)3	H(CCHH)	109.4696	0.058	8	109.4696	0.003	8	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCuCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCuCH)(CH3)3	H(CCHH)	109.4800	0.024	5	109.4800	0.001	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CFeCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CFeCC)(CH3)3	H(CCHH)	109.4683	0.030	6	109.4683	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CFeCH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CFeCH)(CCHH)(CH3)2	H(CCHH)	109.4760	0.029	6	109.4760	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CFeCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CFeCH)(CH3)3	H(CCHH)	109.4856	0.042	8	109.4856	0.002	8	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CFeHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CFeHH)(CH3)3	H(CCHH)	109.4817	0.036	16	109.4817	0.001	16	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CFeOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CFeOO)(CH3)3	H(CCHH)	109.4540	0.062	20	109.4540	0.004	20	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CGaHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CGaHH)(CH3)3	H(CCHH)	109.4555	0.036	15	109.4555	0.001	15	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CGdCO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CGdCO)(CH3)3	H(CCHH)	109.4770	0.069	23	109.4770	0.005	23	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CGeCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CGeCH)(CH3)3	H(CCHH)	109.4429	0.048	7	109.4429	0.002	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHHN)(CH3)3	H(CCHH)	109.7334	1.094	613	109.7334	1.198	613	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	H(CCHH)	109.4735	0.285	27	109.4735	0.081	27	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHH)	109.5030	0.340	3	109.5030	0.116	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHN)(CHHS)2(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHN)(CHHS)2(CH3)	H(CCHH)	109.3860	0.075	3	109.3860	0.006	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHN)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CHHN)2(CH3)2	H(CCHH)	109.5946	0.760	603	109.5946	0.578	603	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHN)2(CHHS)(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHN)2(CHHS)(CH3)	H(CCHH)	109.4720	0.124	25	109.4720	0.015	25	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHN)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHN)3(CH3)	H(CCHH)	109.5354	0.341	106	109.5354	0.116	106	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHHO)(CH3)3	H(CCHH)	109.4250	1.183	144	109.4250	1.400	144	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHO)(CHHP)2(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHO)(CHHP)2(CH3)	H(CCHH)	109.4283	0.060	3	109.4283	0.004	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHO)(CHHS)2(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHO)(CHHS)2(CH3)	H(CCHH)	109.4637	0.050	3	109.4637	0.002	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHO)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CHHO)2(CH3)2	H(CCHH)	109.2873	0.947	90	109.2873	0.897	90	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHO)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHO)3(CH3)	H(CCHH)	109.5256	0.329	67	109.5256	0.108	67	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHHP)(CH3)3	H(CCHH)	109.8972	1.130	102	109.8972	1.276	102	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHP)(CHHS)2(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHP)(CHHS)2(CH3)	H(CCHH)	109.4983	0.048	3	109.4983	0.002	3	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHP)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CHHP)2(CH3)2	H(CCHH)	109.4905	0.459	49	109.4905	0.211	49	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHP)2(CHHS)(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHP)2(CHHS)(CH3)	H(CCHH)	109.4725	0.028	6	109.4725	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHP)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHP)3(CH3)	H(CCHH)	109.5806	1.267	143	109.5806	1.606	143	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHS)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHHS)(CH3)3	H(CCHH)	109.4524	1.427	14	109.4524	2.035	14	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHS)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CHHS)2(CH3)2	H(CCHH)	109.4701	0.042	14	109.4701	0.002	14	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHS)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CHHS)3(CH3)	H(CCHH)	109.3612	0.707	28	109.3612	0.500	28	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHV)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHHV)(CH3)3	H(CCHH)	110.2193	1.515	24	110.2193	2.296	24	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHHW)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHHW)(CH3)3	H(CCHH)	109.4685	0.036	24	109.4685	0.001	24	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHNP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHNP)(CH3)3	H(CCHH)	109.5217	0.282	125	109.5217	0.080	125	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CHPW)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CHPW)(CH3)3	H(CCHH)	109.4804	0.071	9	109.4804	0.005	9	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CIrCP)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CIrCP)(CH3)3	H(CCHH)	109.4507	0.030	4	109.4507	0.001	4	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CLaCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CLaCC)(CH3)3	H(CCHH)	109.4670	0.038	12	109.4670	0.001	12	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CLuNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CLuNN)(CH3)3	H(CCHH)	109.4799	0.057	14	109.4799	0.003	14	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMgNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMgNN)(CH3)3	H(CCHH)	109.4678	0.020	13	109.4678	0.000	13	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMoCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMoCC)(CH3)3	H(CCHH)	109.4694	0.048	97	109.4694	0.002	97	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMoCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMoCH)(CH3)3	H(CCHH)	109.4845	0.044	38	109.4845	0.002	38	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMoHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMoHH)(CH3)3	H(CCHH)	109.4680	0.031	33	109.4680	0.001	33	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CMoOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CMoOO)(CH3)3	H(CCHH)	109.4488	0.035	8	109.4488	0.001	8	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNNY)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNNY)(CH3)3	H(CCHH)	109.4929	0.070	37	109.4929	0.005	37	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNOU)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNOU)(CH3)3	H(CCHH)	109.4719	0.065	17	109.4719	0.004	17	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[4]HH)(CHHN)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CN[4]HH)(CHHN)(CH3)2	H(CCHH)	110.0799	1.709	15	110.0799	2.921	15	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5]CH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5]CH)(CH3)3	H(CCHH)	109.7359	2.566	52	109.7359	6.585	52	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5]HH)(CH3)3	H(CCHH)	109.4711	0.184	282	109.4711	0.034	282	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5a]HH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CN[5a]HH)(CCHH)(CH3)2	H(CCHH)	109.4594	0.052	12	109.4594	0.003	12	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5a]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[5a]HH)(CH3)3	H(CCHH)	109.4765	0.059	103	109.4765	0.003	103	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5a]HH)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CN[5a]HH)2(CH3)2	H(CCHH)	109.4636	0.054	5	109.4636	0.003	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[5a]HH)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CN[5a]HH)3(CH3)	H(CCHH)	109.4810	0.008	2	109.4810	0.000	2	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[6]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[6]HH)(CH3)3	H(CCHH)	109.7348	0.802	65	109.7348	0.643	65	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CN[6a]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CN[6a]HH)(CH3)3	H(CCHH)	109.4963	0.062	6	109.4963	0.004	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNdCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNdCC)(CH3)3	H(CCHH)	109.4689	0.037	15	109.4689	0.001	15	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNi2C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNi2C)(CH3)3	H(CCHH)	109.4749	0.039	7	109.4749	0.002	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNiCN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNiCN)(CH3)3	H(CCHH)	109.4856	0.036	12	109.4856	0.001	12	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNiHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNiHH)(CH3)3	H(CCHH)	109.4755	0.026	6	109.4755	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNiOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNiOO)(CH3)3	H(CCHH)	109.4515	0.059	6	109.4515	0.003	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNiTaC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNiTaC)(CH3)3	H(CCHH)	109.4777	0.067	39	109.4777	0.004	39	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(COOW)(CH3)3	H(CCHH)	C(CC3)(H)3	C(COOW)(CH3)3	H(CCHH)	109.4938	0.039	6	109.4938	0.002	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(COsCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(COsCH)(CH3)3	H(CCHH)	109.4674	0.079	7	109.4674	0.006	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CP[3]HH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CP[3]HH)(CH3)3	H(CCHH)	109.4738	0.020	6	109.4738	0.000	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPdCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CPdCC)(CH3)3	H(CCHH)	109.4896	0.043	7	109.4896	0.002	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPdCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CPdCH)(CH3)3	H(CCHH)	109.4742	0.043	11	109.4742	0.002	11	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPdHH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CPdHH)(CCHH)(CH3)2	H(CCHH)	109.4658	0.025	6	109.4658	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPdHH)(CCHN)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CPdHH)(CCHN)(CH3)2	H(CCHH)	109.4477	0.025	8	109.4477	0.001	8	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPdHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CPdHH)(CH3)3	H(CCHH)	109.4711	0.047	19	109.4711	0.002	19	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPdOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CPdOO)(CH3)3	H(CCHH)	109.4723	0.053	10	109.4723	0.003	10	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPrCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CPrCC)(CH3)3	H(CCHH)	109.4780	0.039	13	109.4780	0.002	13	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPtCH)(CPtHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CPtCH)(CPtHH)(CH3)2	H(CCHH)	109.4893	0.035	7	109.4893	0.001	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPtHH)(CCHH)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CPtHH)(CCHH)(CH3)2	H(CCHH)	109.4771	0.034	15	109.4771	0.001	15	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CPtHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CPtHH)(CH3)3	H(CCHH)	109.4929	0.132	28	109.4929	0.017	28	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRhCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRhCH)(CH3)3	H(CCHH)	109.4622	0.050	11	109.4622	0.003	11	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRhHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRhHH)(CH3)3	H(CCHH)	109.4999	0.036	7	109.4999	0.001	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRhNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRhNN)(CH3)3	H(CCHH)	109.4539	0.037	14	109.4539	0.001	14	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRhNO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRhNO)(CH3)3	H(CCHH)	109.4712	0.033	8	109.4712	0.001	8	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRhOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRhOO)(CH3)3	H(CCHH)	109.4701	0.037	7	109.4701	0.001	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRu2C)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRu2C)(CH3)3	H(CCHH)	109.4602	0.032	5	109.4602	0.001	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRuCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRuCC)(CH3)3	H(CCHH)	109.4419	0.075	14	109.4419	0.006	14	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRuCO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRuCO)(CH3)3	H(CCHH)	109.4755	0.066	11	109.4755	0.004	11	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CRuOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CRuOO)(CH3)3	H(CCHH)	109.4633	0.029	15	109.4633	0.001	15	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CScHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CScHH)(CH3)3	H(CCHH)	109.4770	0.065	23	109.4770	0.004	23	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CScNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CScNN)(CH3)3	H(CCHH)	109.4663	0.054	11	109.4663	0.003	11	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSeCH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSeCH)(CH3)3	H(CCHH)	109.4872	0.028	6	109.4872	0.001	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSeHH)2(CH3)2	H(CCHH)	C(CC3)(H)3	C(CSeHH)2(CH3)2	H(CCHH)	109.4574	0.116	10	109.4574	0.013	10	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSeHH)3(CH3)	H(CCHH)	C(CC3)(H)3	C(CSeHH)3(CH3)	H(CCHH)	109.5840	1.420	9	109.5840	2.017	9	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSiHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSiHH)(CH3)3	H(CCHH)	109.4784	0.036	5	109.4784	0.001	5	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSiHN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSiHN)(CH3)3	H(CCHH)	109.4799	0.034	7	109.4799	0.001	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSiHO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSiHO)(CH3)3	H(CCHH)	109.4617	0.030	14	109.4617	0.001	14	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSmOO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSmOO)(CH3)3	H(CCHH)	109.4648	0.058	6	109.4648	0.003	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CSrCC)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CSrCC)(CH3)3	H(CCHH)	109.4762	0.040	13	109.4762	0.002	13	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTaHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTaHH)(CH3)3	H(CCHH)	109.4648	0.032	19	109.4648	0.001	19	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTaHH)(CTaOO)(CH3)2	H(CCHH)	C(CC3)(H)3	C(CTaHH)(CTaOO)(CH3)2	H(CCHH)	109.4573	0.051	6	109.4573	0.003	6	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTaNO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTaNO)(CH3)3	H(CCHH)	109.4742	0.070	13	109.4742	0.005	13	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTiCN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTiCN)(CH3)3	H(CCHH)	109.8611	2.692	28	109.8611	7.246	28	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTiNO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTiNO)(CH3)3	H(CCHH)	109.4673	0.031	7	109.4673	0.001	7	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CYbCO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CYbCO)(CH3)3	H(CCHH)	109.4657	0.064	24	109.4657	0.004	24	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CYbNN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CYbNN)(CH3)3	H(CCHH)	109.4742	0.035	12	109.4742	0.001	12	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CZrHH)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CZrHH)(CH3)3	H(CCHH)	110.3672	1.290	36	110.3672	1.665	36	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CZrNO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CZrNO)(CH3)3	H(CCHH)	109.4698	0.049	41	109.4698	0.002	41	109.5782	0.699	7646	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(H)3	C(CCHH)(CH3)2(NH3)	H(CCHH)	C(CCCN)(H)3	C(CCHH)(CH3)2(NH3)	H(CCHH)	109.8443	0.754	54	109.8443	0.569	54	109.5771	0.580	476	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NH3)	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NH3)	H(CCHH)	109.4538	0.035	22	109.4538	0.001	22	109.5771	0.580	476	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(H)3	C(CH3)3(NH3)	H(CCHH)	C(CCCN)(H)3	C(CH3)3(NH3)	H(CCHH)	109.5646	0.827	350	109.5646	0.684	350	109.5771	0.580	476	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(H)3	C(CHHN)2(CH3)(NH3)	H(CCHH)	C(CCCN)(H)3	C(CHHN)2(CH3)(NH3)	H(CCHH)	109.4646	0.019	14	109.4646	0.000	14	109.5771	0.580	476	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(H)3	C(CHHO)(CH3)2(NH3)	H(CCHH)	C(CCCN)(H)3	C(CHHO)(CH3)2(NH3)	H(CCHH)	109.4170	0.197	36	109.4170	0.039	36	109.5771	0.580	476	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C-4:	C(CCCP)(H)3	C(CH3)3(PC3)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PC3)	H(CCHH)	109.4879	0.250	313	109.4879	0.062	313	109.4804	0.039	520	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C-4:	C(CCCP)(H)3	C(CH3)3(PO3)	H(CCHH)	C(CCCP)(H)3	C(CH3)3(PO3)	H(CCHH)	109.4690	0.067	207	109.4690	0.004	207	109.4804	0.039	520	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-4:	C-4:	C(CCCS)(H)3	C(CH3)3(SC3)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SC3)	H(CCHH)	112.4029	1.707	9	112.4029	2.914	9	110.8257	6.775	28	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-4:	C-4:	C(CCCS)(H)3	C(CH3)3(SO3)	H(CCHH)	C(CCCS)(H)3	C(CH3)3(SO3)	H(CCHH)	109.4677	0.022	7	109.4677	0.000	7	110.8257	6.775	28	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-4:	C-4:	C(CCCS)(H)3	C(CHHN)(CH3)2(SO3)	H(CCHH)	C(CCCS)(H)3	C(CHHN)(CH3)2(SO3)	H(CCHH)	110.4349	3.337	12	110.4349	11.135	12	110.8257	6.775	28	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:P-4:	C-4:	C(CCNP)(H)3	C(CH3)2(NH3)(PO3)	H(CCHH)	C(CCNP)(H)3	C(CH3)2(NH3)(PO3)	H(CCHH)	109.4580	0.066	23	109.4580	0.004	23	109.4580	0.004	23	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NCCH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NCCH)(CH3)2	H(CCHH)	109.4760	0.033	4	109.4760	0.001	4	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NCHH)(CH3)2	H(CCHH)	109.4957	0.309	106	109.4957	0.095	106	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CCHH)(NHHN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CCHH)(NHHN)(CH3)2	H(CCHH)	109.4335	0.019	4	109.4335	0.000	4	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CC[5]HH)(NCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CC[5]HH)(NCHH)(CH3)2	H(CCHH)	109.4752	0.046	9	109.4752	0.002	9	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CC[6a]HH)(NCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HH)(NCHH)(CH3)2	H(CCHH)	109.4739	0.027	18	109.4739	0.001	18	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CC[6a]HH)(NPdHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CC[6a]HH)(NPdHH)(CH3)2	H(CCHH)	109.4762	0.043	55	109.4762	0.002	55	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CHHN)(NHHV)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CHHN)(NHHV)(CH3)2	H(CCHH)	109.4964	0.029	5	109.4964	0.001	5	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(CN[3]HH)(NCuHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(CN[3]HH)(NCuHH)(CH3)2	H(CCHH)	109.4796	0.045	16	109.4796	0.002	16	109.4854	0.047	217	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:	C(CNPP)(H)3	C(CH3)(NH3)(PO3)2	H(CCHH)	C(CNPP)(H)3	C(CH3)(NH3)(PO3)2	H(CCHH)	109.7267	0.983	56	109.7267	0.965	56	109.7267	0.965	56	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(CCHH)(PCHH)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(CCHH)(PCHH)(CH3)2	H(CCHH)	109.4677	0.013	3	109.4677	0.000	3	109.4589	0.010	40	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(CIrHH)(PIrCC)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(CIrHH)(PIrCC)(CH3)2	H(CCHH)	109.4615	0.051	18	109.4615	0.003	18	109.4589	0.010	40	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(CPdHH)(PPdCC)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(CPdHH)(PPdCC)(CH3)2	H(CCHH)	109.4910	0.027	5	109.4910	0.001	5	109.4589	0.010	40	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:P-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(CPtHH)(PPtCC)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(CPtHH)(PPtCC)(CH3)2	H(CCHH)	109.4423	0.163	14	109.4423	0.026	14	109.4589	0.010	40	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:Si-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(CCHH)(SiO3)(CH3)2	H(CCHH)	C(CSiCC)(H)3	C(CCHH)(SiO3)(CH3)2	H(CCHH)	109.4771	0.024	8	109.4771	0.001	8	109.4771	0.001	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,3,5]-4:C-4:C-4:C-4:	C-4:	C(CC[3,3,5]CC)(H)3	C(C[3,3,5]C[3,3,5]2Nb[10x3])(CH3)3	H(CCHH)	C(CC[3,3,5]CC)(H)3	C(C[3,3,5]C[3,3,5]2Nb[10x3])(CH3)3	H(CCHH)	109.4684	0.036	16	109.4684	0.001	16	109.4728	0.002	27	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,3,5]-4:C-4:C-4:C-4:	C-4:	C(CC[3,3,5]CC)(H)3	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	H(CCHH)	C(CC[3,3,5]CC)(H)3	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	H(CCHH)	109.4791	0.046	11	109.4791	0.002	11	109.4728	0.002	27	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,3]-4:C-4:C-4:C-4:	C-4:	C(CC[3,3]CC)(H)3	C(C[3,3]C[3,3]P[3]2)(CH3)3	H(CCHH)	C(CC[3,3]CC)(H)3	C(C[3,3]C[3,3]P[3]2)(CH3)3	H(CCHH)	109.4506	0.044	12	109.4506	0.002	12	109.4506	0.002	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,3x5]-4:C-4:C-4:C-4:	C-4:	C(CC[3,3x5]CC)(H)3	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	H(CCHH)	C(CC[3,3x5]CC)(H)3	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	H(CCHH)	109.4853	0.045	9	109.4853	0.002	9	109.4853	0.002	9	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,4,4]-4:C-4:C-4:C-4:	C-4:	C(CC[3,4,4]CC)(H)3	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	H(CCHH)	C(CC[3,4,4]CC)(H)3	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	H(CCHH)	109.4629	0.041	10	109.4629	0.002	10	109.4629	0.002	10	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,4,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3,4,5,6]CC)(H)3	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	H(CCHH)	C(CC[3,4,5,6]CC)(H)3	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	H(CCHH)	109.4841	0.027	7	109.4841	0.001	7	109.4841	0.001	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,4,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3,4,6,6]CC)(H)3	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	H(CCHH)	C(CC[3,4,6,6]CC)(H)3	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	H(CCHH)	109.4696	0.032	5	109.4696	0.001	5	109.4696	0.001	5	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,5,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3,5,5,6]CC)(H)3	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	H(CCHH)	C(CC[3,5,5,6]CC)(H)3	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	H(CCHH)	109.4586	0.022	5	109.4586	0.000	5	109.4586	0.000	5	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3,5,6,6]CC)(H)3	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	H(CCHH)	C(CC[3,5,6,6]CC)(H)3	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	H(CCHH)	109.4810	0.034	7	109.4810	0.001	7	109.4810	0.001	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:C-4:	C-4:	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]2C[5])(CH3)3	H(CCHH)	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]2C[5])(CH3)3	H(CCHH)	109.4535	0.027	10	109.4535	0.001	10	109.4758	0.019	38	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:C-4:	C-4:	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]C[3]C[5])(CH3)3	H(CCHH)	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]C[3]C[5])(CH3)3	H(CCHH)	109.4789	0.041	8	109.4789	0.002	8	109.4758	0.019	38	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:C-4:	C-4:	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CH3)3	H(CCHH)	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CH3)3	H(CCHH)	109.4948	0.282	9	109.4948	0.080	9	109.4758	0.019	38	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,5]-4:C-4:C-4:C-4:	C-4:	C(CC[3,5]CC)(H)3	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	H(CCHH)	C(CC[3,5]CC)(H)3	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	H(CCHH)	109.4782	0.049	11	109.4782	0.002	11	109.4758	0.019	38	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3,6]CC)(H)3	C(C[3,6]C[3,6]C[3]C[6])(CH3)3	H(CCHH)	C(CC[3,6]CC)(H)3	C(C[3,6]C[3,6]C[3]C[6])(CH3)3	H(CCHH)	109.2280	0.263	7	109.2280	0.069	7	109.3277	0.053	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3,6]CC)(H)3	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	H(CCHH)	C(CC[3,6]CC)(H)3	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	H(CCHH)	109.4674	0.033	5	109.4674	0.001	5	109.3277	0.053	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3,5]P[3,5]H)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3,5]P[3,5]H)(CH3)3	H(CCHH)	109.4625	0.041	6	109.4625	0.002	6	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]2H)(CHHN)(CH3)2	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]2H)(CHHN)(CH3)2	H(CCHH)	109.4758	0.043	8	109.4758	0.002	8	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]2N)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]2N)(CH3)3	H(CCHH)	109.4820	0.024	7	109.4820	0.001	7	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]2Si)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]2Si)(CH3)3	H(CCHH)	109.4397	0.033	6	109.4397	0.001	6	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]Br)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]Br)(CH3)3	H(CCHH)	109.4677	0.025	6	109.4677	0.001	6	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	H(CCHH)	109.4702	0.022	13	109.4702	0.000	13	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]H)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]H)(CH3)3	H(CCHH)	109.4588	0.035	15	109.4588	0.001	15	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	H(CCHH)	109.4648	0.030	6	109.4648	0.001	6	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]N[3]O[3]C)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]N[3]O[3]C)(CH3)3	H(CCHH)	109.4639	0.029	7	109.4639	0.001	7	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]O[3]P[3]H)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]O[3]P[3]H)(CH3)3	H(CCHH)	109.4868	0.024	10	109.4868	0.001	10	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]P[3,5]2H)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]P[3,5]2H)(CH3)3	H(CCHH)	109.4507	0.037	6	109.4507	0.001	6	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]P[3]2H)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]P[3]2H)(CH3)3	H(CCHH)	109.4648	0.033	6	109.4648	0.001	6	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(H)3	C(C[3]Si[3]P[3]Si)(CH3)3	H(CCHH)	C(CC[3]CC)(H)3	C(C[3]Si[3]P[3]Si)(CH3)3	H(CCHH)	109.4526	0.043	7	109.4526	0.002	7	109.4656	0.001	103	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3x5,6,6]CC)(H)3	C(C[3x5,6,6]P[5,5,6,6]2Se[5,5])(CH3)3	H(CCHH)	C(CC[3x5,6,6]CC)(H)3	C(C[3x5,6,6]P[5,5,6,6]2Se[5,5])(CH3)3	H(CCHH)	109.4820	0.045	7	109.4820	0.002	7	109.4820	0.002	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[3x5,6]CC)(H)3	C(C[3x5,6]P[3,5,5,6]C[4x5]P[5,6])(CH3)3	H(CCHH)	C(CC[3x5,6]CC)(H)3	C(C[3x5,6]P[3,5,5,6]C[4x5]P[5,6])(CH3)3	H(CCHH)	109.4816	0.027	8	109.4816	0.001	8	109.4816	0.001	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C-4:	C(CC[3x6]CC)(H)3	C(C[3x6]C[6,6]2O[6,6])(CH3)3	H(CCHH)	C(CC[3x6]CC)(H)3	C(C[3x6]C[6,6]2O[6,6])(CH3)3	H(CCHH)	109.4676	0.018	5	109.4676	0.000	5	109.4582	0.001	13	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:C-4:C-4:	C-4:	C(CC[3x6]CC)(H)3	C(C[3x6]C[6,6]3)(CH3)3	H(CCHH)	C(CC[3x6]CC)(H)3	C(C[3x6]C[6,6]3)(CH3)3	H(CCHH)	109.4524	0.043	8	109.4524	0.002	8	109.4582	0.001	13	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,3x5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,3x5,6]CC)(H)3	C(C[4,3x5,6]C[3x5,6,6]C[4,5,5,6]2)(CH3)3	H(CCHH)	C(CC[4,3x5,6]CC)(H)3	C(C[4,3x5,6]C[3x5,6,6]C[4,5,5,6]2)(CH3)3	H(CCHH)	109.4484	0.035	8	109.4484	0.001	8	109.4484	0.001	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,3x5]-4:C-4:C-4:C-4:	C-4:	C(CC[4,3x5]CC)(H)3	C(C[4,3x5]P[4,3x5]2Se[5,5])(CH3)3	H(CCHH)	C(CC[4,3x5]CC)(H)3	C(C[4,3x5]P[4,3x5]2Se[5,5])(CH3)3	H(CCHH)	109.4677	0.038	7	109.4677	0.001	7	109.4855	0.002	18	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,3x5]-4:C-4:C-4:C-4:	C-4:	C(CC[4,3x5]CC)(H)3	C(C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]Si[4,5])(CH3)3	H(CCHH)	C(CC[4,3x5]CC)(H)3	C(C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]Si[4,5])(CH3)3	H(CCHH)	109.4968	0.039	11	109.4968	0.002	11	109.4855	0.002	18	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,4,5,5]-4:C-4:C-4:C-4:	C-4:	C(CC[4,4,5,5]CC)(H)3	C(C[4,4,5,5]P[4,5,5,6]2P[3,4,4])(CH3)3	H(CCHH)	C(CC[4,4,5,5]CC)(H)3	C(C[4,4,5,5]P[4,5,5,6]2P[3,4,4])(CH3)3	H(CCHH)	109.4703	0.046	6	109.4703	0.002	6	109.4703	0.002	6	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,4,5]-4:C-4:C-4:C-4:	C-4:	C(CC[4,4,5]CC)(H)3	C(C[4,4,5]P[4,4,5]2P[4,5,6])(CH3)3	H(CCHH)	C(CC[4,4,5]CC)(H)3	C(C[4,4,5]P[4,4,5]2P[4,5,6])(CH3)3	H(CCHH)	109.4599	0.051	13	109.4599	0.003	13	109.4676	0.004	53	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,4,5]-4:C-4:C-4:C-4:	C-4:	C(CC[4,4,5]CC)(H)3	C(C[4,4,5]P[4,5,5,6]P[4,4,5]2)(CH3)3	H(CCHH)	C(CC[4,4,5]CC)(H)3	C(C[4,4,5]P[4,5,5,6]P[4,4,5]2)(CH3)3	H(CCHH)	109.4701	0.064	40	109.4701	0.004	40	109.4676	0.004	53	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,4]-4:C-4:C-4:C-4:	C-4:	C(CC[4,4]CC)(H)3	C(C[4,4]P[4,4]P[4]2)(CH3)3	H(CCHH)	C(CC[4,4]CC)(H)3	C(C[4,4]P[4,4]P[4]2)(CH3)3	H(CCHH)	109.4710	0.061	12	109.4710	0.004	12	109.4710	0.004	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,5,6,6]CC)(H)3	C(C[4,5,5,6,6]P[4,5,5,6,6]2Si[4,5])(CH3)3	H(CCHH)	C(CC[4,5,5,6,6]CC)(H)3	C(C[4,5,5,6,6]P[4,5,5,6,6]2Si[4,5])(CH3)3	H(CCHH)	109.4767	0.055	12	109.4767	0.003	12	109.4767	0.003	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,5,6]CC)(H)3	C(C[4,5,5,6]P[4,5,5,6]P[3x5,6]P[4,4,5])(CH3)3	H(CCHH)	C(CC[4,5,5,6]CC)(H)3	C(C[4,5,5,6]P[4,5,5,6]P[3x5,6]P[4,4,5])(CH3)3	H(CCHH)	109.4725	0.061	48	109.4725	0.004	48	109.4725	0.004	48	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,5]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,5]CC)(H)3	C(C[4,5,5]P[3,5,5]P[4,5,5]P[4])(CH3)3	H(CCHH)	C(CC[4,5,5]CC)(H)3	C(C[4,5,5]P[3,5,5]P[4,5,5]P[4])(CH3)3	H(CCHH)	109.4814	0.047	7	109.4814	0.002	7	109.4814	0.002	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[3,4,5]P[4,3x6]P[5,6,6])(CH3)3	H(CCHH)	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[3,4,5]P[4,3x6]P[5,6,6])(CH3)3	H(CCHH)	109.4550	0.027	5	109.4550	0.001	5	109.4635	0.006	29	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[4,5,5,6]P[5,5,6,6]Se[4,6])(CH3)3	H(CCHH)	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[4,5,5,6]P[5,5,6,6]Se[4,6])(CH3)3	H(CCHH)	109.4606	0.039	10	109.4606	0.002	10	109.4635	0.006	29	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[4,5,5,6]P[5,6,6]Se[4,6])(CH3)3	H(CCHH)	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[4,5,5,6]P[5,6,6]Se[4,6])(CH3)3	H(CCHH)	109.4686	0.105	14	109.4686	0.011	14	109.4635	0.006	29	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,6]CC)(H)3	C(C[4,5,6]P[4,4,5]P[4,5,6]P[5,6])(CH3)3	H(CCHH)	C(CC[4,5,6]CC)(H)3	C(C[4,5,6]P[4,4,5]P[4,5,6]P[5,6])(CH3)3	H(CCHH)	109.4889	0.070	8	109.4889	0.005	8	109.4940	0.003	17	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5,6]CC)(H)3	C(C[4,5,6]P[4,5,5,6,6]2P[5])(CH3)3	H(CCHH)	C(CC[4,5,6]CC)(H)3	C(C[4,5,6]P[4,5,5,6,6]2P[5])(CH3)3	H(CCHH)	109.4986	0.043	9	109.4986	0.002	9	109.4940	0.003	17	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,5]-4:C-4:C-4:C-4:	C-4:	C(CC[4,5]CC)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)3	H(CCHH)	C(CC[4,5]CC)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)3	H(CCHH)	109.4925	2.688	115	109.4925	7.223	115	109.4925	7.223	115	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,6]CC)(H)3	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	H(CCHH)	C(CC[4,6]CC)(H)3	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	H(CCHH)	109.4674	0.044	5	109.4674	0.002	5	109.4689	0.001	9	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,6]CC)(H)3	C(C[4,6]C[4,6]C[4]O[6])(CH3)3	H(CCHH)	C(CC[4,6]CC)(H)3	C(C[4,6]C[4,6]C[4]O[6])(CH3)3	H(CCHH)	109.4707	0.022	4	109.4707	0.000	4	109.4689	0.001	9	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4,5]C[4]S)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4,5]C[4]S)(CH3)3	H(CCHH)	109.4897	0.045	6	109.4897	0.002	6	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCHH)	110.2483	2.486	27	110.2483	6.180	27	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]2Fe)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]2Fe)(CH3)3	H(CCHH)	109.4691	0.033	8	109.4691	0.001	8	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]2H)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]2H)(CH3)3	H(CCHH)	109.4591	0.045	14	109.4591	0.002	14	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]2O)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]2O)(CH3)3	H(CCHH)	109.5144	0.064	8	109.5144	0.004	8	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]2Pd)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]2Pd)(CH3)3	H(CCHH)	109.4711	0.052	12	109.4711	0.003	12	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]2Ru)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]2Ru)(CH3)3	H(CCHH)	109.4686	0.019	5	109.4686	0.000	5	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]2W)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]2W)(CH3)3	H(CCHH)	111.1042	1.742	5	111.1042	3.035	5	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]Fe)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]Fe)(CH3)3	H(CCHH)	109.4841	0.035	9	109.4841	0.001	9	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]H)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]H)(CH3)3	H(CCHH)	109.4770	0.029	17	109.4770	0.001	17	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]W)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]W)(CH3)3	H(CCHH)	111.3260	2.369	9	111.3260	5.614	9	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	H(CCHH)	109.4621	0.036	7	109.4621	0.001	7	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]P[4,5,5]P[4]H)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]P[4,5,5]P[4]H)(CH3)3	H(CCHH)	109.4613	0.059	7	109.4613	0.003	7	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]P[4]2H)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]P[4]2H)(CH3)3	H(CCHH)	109.4799	0.040	13	109.4799	0.002	13	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]P[4]2Sn)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]P[4]2Sn)(CH3)3	H(CCHH)	109.4788	0.037	8	109.4788	0.001	8	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(H)3	C(C[4]P[4]2Ti)(CH3)3	H(CCHH)	C(CC[4]CC)(H)3	C(C[4]P[4]2Ti)(CH3)3	H(CCHH)	109.4694	0.037	21	109.4694	0.001	21	109.7344	1.522	176	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[4]C[5]C)(H)3	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	H(CCHH)	C(CC[4]C[5]C)(H)3	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	H(CCHH)	109.2612	1.336	6	109.2612	1.786	6	109.2612	1.786	6	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[4x5]-4:C-4:C-4:C-4:	C-4:	C(CC[4x5]CC)(H)3	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	H(CCHH)	C(CC[4x5]CC)(H)3	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	H(CCHH)	109.4720	0.033	4	109.4720	0.001	4	109.4720	0.001	4	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,3x6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,3x6]CC)(H)3	C(C[5,3x6]P[3,5,6,6]P[5,6,6]P[6,6])(CH3)3	H(CCHH)	C(CC[5,3x6]CC)(H)3	C(C[5,3x6]P[3,5,6,6]P[5,6,6]P[6,6])(CH3)3	H(CCHH)	109.4615	0.038	4	109.4615	0.001	4	109.4615	0.001	4	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5,6,6]CC)(H)3	C(C[5,5,6,6]C[5,5,6,6]P[3,5,6,6]P[5,6])(CH3)3	H(CCHH)	C(CC[5,5,6,6]CC)(H)3	C(C[5,5,6,6]C[5,5,6,6]P[3,5,6,6]P[5,6])(CH3)3	H(CCHH)	109.4650	0.043	6	109.4650	0.002	6	109.4654	0.004	13	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5,6,6]CC)(H)3	C(C[5,5,6,6]P[5,6,6]2Se[5,5])(CH3)3	H(CCHH)	C(CC[5,5,6,6]CC)(H)3	C(C[5,5,6,6]P[5,6,6]2Se[5,5])(CH3)3	H(CCHH)	109.4657	0.080	7	109.4657	0.006	7	109.4654	0.004	13	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	H(CCHH)	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	H(CCHH)	109.4675	0.064	12	109.4675	0.004	12	109.4657	0.002	37	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	H(CCHH)	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	H(CCHH)	109.4704	0.037	8	109.4704	0.001	8	109.4657	0.002	37	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	H(CCHH)	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	H(CCHH)	109.4662	0.031	12	109.4662	0.001	12	109.4657	0.002	37	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]Si[5,5]P[5,6]2)(CH3)3	H(CCHH)	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]Si[5,5]P[5,6]2)(CH3)3	H(CCHH)	109.4526	0.018	5	109.4526	0.000	5	109.4657	0.002	37	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	H(CCHH)	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	H(CCHH)	110.9208	2.803	54	110.9208	7.858	54	110.3874	5.460	85	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	H(CCHH)	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	H(CCHH)	109.4588	0.032	6	109.4588	0.001	6	110.3874	5.460	85	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	H(CCHH)	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	H(CCHH)	109.4680	0.015	4	109.4680	0.000	4	110.3874	5.460	85	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5]CC)(H)3	C(C[5,5]O[3x5]C[5]2)(CH3)3	H(CCHH)	C(CC[5,5]CC)(H)3	C(C[5,5]O[3x5]C[5]2)(CH3)3	H(CCHH)	109.4610	0.028	8	109.4610	0.001	8	110.3874	5.460	85	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C-4:	C(CC[5,5]CC)(H)3	C(C[5,5]P[3,5,5]P[4,5]P[5])(CH3)3	H(CCHH)	C(CC[5,5]CC)(H)3	C(C[5,5]P[3,5,5]P[4,5]P[5])(CH3)3	H(CCHH)	109.4533	0.054	13	109.4533	0.003	13	110.3874	5.460	85	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,6,6]CC)(H)3	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(CH3)3	H(CCHH)	C(CC[5,6,6]CC)(H)3	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(CH3)3	H(CCHH)	109.4689	0.065	12	109.4689	0.004	12	109.4689	0.004	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(CCHH)	109.4806	0.040	18	109.4806	0.002	18	109.4805	0.001	33	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,6]2H)(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,6]2H)(CH3)3	H(CCHH)	109.4840	0.040	4	109.4840	0.002	4	109.4805	0.001	33	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	H(CCHH)	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	H(CCHH)	109.4789	0.030	11	109.4789	0.001	11	109.4805	0.001	33	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5,6]C[5]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	H(CCHH)	C(CC[5,6]C[5]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	H(CCHH)	109.4521	0.026	7	109.4521	0.001	7	109.4521	0.001	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]B[5]C[5]2)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]B[5]C[5]2)(CH3)3	H(CCHH)	109.4577	0.027	6	109.4577	0.001	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	H(CCHH)	109.4760	0.024	4	109.4760	0.001	4	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[3x5]C[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[3x5]C[5]H)(CH3)3	H(CCHH)	109.4659	0.025	14	109.4659	0.001	14	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]C[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]C[5]H)(CH3)3	H(CCHH)	109.4732	0.042	28	109.4732	0.002	28	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]Cl)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]Cl)(CH3)3	H(CCHH)	109.4720	0.020	6	109.4720	0.000	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	H(CCHH)	109.4600	0.017	5	109.4600	0.000	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]H)(CH3)3	H(CCHH)	109.4590	0.027	4	109.4590	0.001	4	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5]O[5]O)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5]O[5]O)(CH3)3	H(CCHH)	109.4713	0.033	7	109.4713	0.001	7	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,5a]N[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,5a]N[5]H)(CH3)3	H(CCHH)	109.4671	0.069	8	109.4671	0.005	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Co)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Co)(CH3)3	H(CCHH)	109.4687	0.031	18	109.4687	0.001	18	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Cr)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Cr)(CH3)3	H(CCHH)	109.4821	0.035	21	109.4821	0.001	21	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Fe)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Fe)(CH3)3	H(CCHH)	109.4720	0.031	36	109.4720	0.001	36	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Mn)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Mn)(CH3)3	H(CCHH)	109.4783	0.044	12	109.4783	0.002	12	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]O)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]O)(CH3)3	H(CCHH)	109.0771	3.311	18	109.0771	10.961	18	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Rh)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Rh)(CH3)3	H(CCHH)	109.4356	0.043	8	109.4356	0.002	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	H(CCHH)	109.4792	0.038	6	109.4792	0.001	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)3	H(CCHH)	109.4666	0.033	11	109.4666	0.001	11	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6]N[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6]N[5]H)(CH3)3	H(CCHH)	109.4734	0.026	8	109.4734	0.001	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	H(CCHH)	109.4968	0.027	5	109.4968	0.001	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]C[6])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]C[6])(CH3)3	H(CCHH)	109.4698	0.029	6	109.4698	0.001	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	H(CCHH)	109.4892	0.053	5	109.4892	0.003	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	H(CCHH)	109.4461	0.432	10	109.4461	0.187	10	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)3	H(CCHH)	109.4665	0.039	13	109.4665	0.002	13	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)3	H(CCHH)	109.4663	0.086	9	109.4663	0.007	9	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Al)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Al)(CH3)3	H(CCHH)	109.4679	0.039	99	109.4679	0.002	99	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ba)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ba)(CH3)3	H(CCHH)	109.4777	0.059	23	109.4777	0.004	23	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Cd)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Cd)(CH3)3	H(CCHH)	109.4709	0.040	13	109.4709	0.002	13	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ce)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ce)(CH3)3	H(CCHH)	109.4767	0.065	60	109.4767	0.004	60	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CCHH)(CH3)2	H(CCHH)	109.4662	0.025	5	109.4662	0.001	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	H(CCHH)	109.4695	0.033	4	109.4695	0.001	4	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CH3)3	H(CCHH)	109.4686	0.077	155	109.4686	0.006	155	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CCHH)(CH3)2	H(CCHH)	109.4850	0.032	4	109.4850	0.001	4	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	H(CCHH)	109.4619	0.043	82	109.4619	0.002	82	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CH3)3	H(CCHH)	109.4744	0.046	38	109.4744	0.002	38	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Dy)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Dy)(CH3)3	H(CCHH)	109.4753	0.069	45	109.4753	0.005	45	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCHH)	109.4732	0.039	39	109.4732	0.002	39	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CH3)3	H(CCHH)	109.4633	0.648	950	109.4633	0.421	950	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ga)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ga)(CH3)3	H(CCHH)	109.4745	0.030	8	109.4745	0.001	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCCH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCCH)(CH3)2	H(CCHH)	109.4705	0.027	6	109.4705	0.001	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)2	H(CCHH)	109.9458	1.543	23	109.9458	2.381	23	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)3	H(CCHH)	109.9723	1.164	79	109.9723	1.355	79	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Hf)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Hf)(CH3)3	H(CCHH)	109.4655	0.052	89	109.4655	0.003	89	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ir)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ir)(CH3)3	H(CCHH)	109.4693	0.027	12	109.4693	0.001	12	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2La)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2La)(CH3)3	H(CCHH)	109.4699	0.074	40	109.4699	0.005	40	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Li)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Li)(CH3)3	H(CCHH)	109.4718	0.032	8	109.4718	0.001	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Mn)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Mn)(CH3)3	H(CCHH)	109.4692	0.046	63	109.4692	0.002	63	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	H(CCHH)	110.1082	1.476	38	110.1082	2.178	38	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Mo)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Mo)(CH3)3	H(CCHH)	109.4705	0.545	170	109.4705	0.297	170	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ni)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ni)(CCHH)(CH3)2	H(CCHH)	109.4575	0.036	21	109.4575	0.001	21	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2O)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2O)(CH3)3	H(CCHH)	109.2921	0.360	19	109.2921	0.130	19	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2O[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2O[5])(CH3)3	H(CCHH)	109.4686	0.027	5	109.4686	0.001	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Re)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Re)(CH3)3	H(CCHH)	109.4450	0.048	7	109.4450	0.002	7	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Rh)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Rh)(CH3)3	H(CCHH)	109.4736	0.058	55	109.4736	0.003	55	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	H(CCHH)	109.4675	0.072	28	109.4675	0.005	28	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CH3)3	H(CCHH)	109.4719	0.049	247	109.4719	0.002	247	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Sm)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Sm)(CH3)3	H(CCHH)	109.4754	0.061	55	109.4754	0.004	55	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Th)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Th)(CH3)3	H(CCHH)	109.4712	0.069	473	109.4712	0.005	473	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CC3)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CC3)(CH3)2	H(CCHH)	109.4844	0.031	8	109.4844	0.001	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CCHH)(CH3)2	H(CCHH)	109.4710	0.030	14	109.4710	0.001	14	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CH3)3	H(CCHH)	109.7996	1.703	114	109.7996	2.901	114	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Tm)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Tm)(CH3)3	H(CCHH)	109.4681	0.046	26	109.4681	0.002	26	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2U)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2U)(CH3)3	H(CCHH)	109.4747	0.062	179	109.4747	0.004	179	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2W)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2W)(CH3)3	H(CCHH)	109.4870	0.050	21	109.4870	0.003	21	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC3)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC3)(CH3)2	H(CCHH)	109.4664	0.026	8	109.4664	0.001	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CCHH)(CH3)2	H(CCHH)	109.4661	0.029	9	109.4661	0.001	9	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	H(CCHH)	110.6116	2.652	12	110.6116	7.033	12	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CH3)3	H(CCHH)	109.6253	0.810	265	109.6253	0.657	265	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CHOO)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CHOO)(CH3)2	H(CCHH)	109.4912	0.129	6	109.4912	0.017	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Cr)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Cr)(CH3)3	H(CCHH)	109.4851	0.037	22	109.4851	0.001	22	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Fe)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Fe)(CH3)3	H(CCHH)	109.4758	0.037	27	109.4758	0.001	27	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]H)(CH3)3	H(CCHH)	109.5431	0.866	457	109.5431	0.750	457	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]O)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]O)(CH3)3	H(CCHH)	109.4643	0.033	18	109.4643	0.001	18	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]O[5])(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]O[5])(CH3)3	H(CCHH)	109.4665	0.037	6	109.4665	0.001	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Zr)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Zr)(CH3)3	H(CCHH)	109.4707	0.029	28	109.4707	0.001	28	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]C)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]C)(CH3)3	H(CCHH)	109.4787	0.034	14	109.4787	0.001	14	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	H(CCHH)	109.4642	0.052	6	109.4642	0.003	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	H(CCHH)	109.4506	0.034	14	109.4506	0.001	14	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CH3)3	H(CCHH)	109.4708	0.140	17	109.4708	0.020	17	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	H(CCHH)	110.8212	1.595	6	110.8212	2.543	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]N)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]N)(CH3)3	H(CCHH)	109.4789	0.043	11	109.4789	0.002	11	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]O)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]O)(CH3)3	H(CCHH)	109.4728	0.028	5	109.4728	0.001	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]Ru)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]Ru)(CH3)3	H(CCHH)	109.4910	0.036	7	109.4910	0.001	7	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Ce)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Ce)(CH3)3	H(CCHH)	109.4559	0.061	19	109.4559	0.004	19	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Co)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Co)(CH3)3	H(CCHH)	109.4761	0.034	8	109.4761	0.001	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]H)(CH3)3	H(CCHH)	109.4758	0.048	10	109.4758	0.002	10	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Pb)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Pb)(CH3)3	H(CCHH)	109.4803	0.033	7	109.4803	0.001	7	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Ru)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Ru)(CH3)3	H(CCHH)	109.4286	1.127	25	109.4286	1.270	25	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Sc)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Sc)(CH3)3	H(CCHH)	109.4753	0.023	7	109.4753	0.001	7	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Tm)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Tm)(CH3)3	H(CCHH)	109.4699	0.065	127	109.4699	0.004	127	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]S[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]S[5]H)(CH3)3	H(CCHH)	111.4516	0.971	9	111.4516	0.942	9	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]Ga[4]C[5]2)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]Ga[4]C[5]2)(CH3)3	H(CCHH)	109.4617	0.033	14	109.4617	0.001	14	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,5]C[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,5]C[5]H)(CH3)3	H(CCHH)	109.4598	0.026	12	109.4598	0.001	12	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,5]O[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,5]O[5]H)(CH3)3	H(CCHH)	109.9534	1.261	219	109.9534	1.589	219	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,5]S[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,5]S[5]H)(CH3)3	H(CCHH)	109.9626	0.976	71	109.9626	0.952	71	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,6,6]O[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,6,6]O[5]H)(CH3)3	H(CCHH)	110.7856	2.828	9	110.7856	8.000	9	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,6]C[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,6]C[5]H)(CH3)3	H(CCHH)	109.4718	0.031	5	109.4718	0.001	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,6]O[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,6]O[5]H)(CH3)3	H(CCHH)	109.4667	0.045	7	109.4667	0.002	7	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5,6]S[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5,6]S[5]H)(CH3)3	H(CCHH)	109.4753	0.023	6	109.4753	0.001	6	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]2H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]2H)(CH3)3	H(CCHH)	109.4731	0.027	43	109.4731	0.001	43	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]2Zr)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]2Zr)(CH3)3	H(CCHH)	109.4698	0.044	8	109.4698	0.002	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]O[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]O[5]H)(CH3)3	H(CCHH)	109.4752	0.031	51	109.4752	0.001	51	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]P[5]Fe)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]P[5]Fe)(CH3)3	H(CCHH)	109.4838	0.042	10	109.4838	0.002	10	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]N[5]P[5]Ru)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]N[5]P[5]Ru)(CH3)3	H(CCHH)	109.4710	0.033	9	109.4710	0.001	9	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]O[5]2C)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]O[5]2C)(CH3)3	H(CCHH)	109.4730	0.028	5	109.4730	0.001	5	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]O[5]2H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]O[5]2H)(CH3)3	H(CCHH)	109.6987	1.046	20	109.6987	1.094	20	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]O[5]P[5]C)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]O[5]P[5]C)(CH3)3	H(CCHH)	109.4610	0.041	8	109.4610	0.002	8	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]O[5]P[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]O[5]P[5]H)(CH3)3	H(CCHH)	109.4600	0.021	3	109.4600	0.000	3	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]P[3,5]P[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]P[3,5]P[5]H)(CH3)3	H(CCHH)	109.4804	0.042	7	109.4804	0.002	7	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]P[5,5]C[5]H)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]P[5,5]C[5]H)(CH3)3	H(CCHH)	109.4531	0.057	16	109.4531	0.003	16	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]P[5]2Pt)(CH3)3	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]P[5]2Pt)(CH3)3	H(CCHH)	109.4823	0.041	10	109.4823	0.002	10	109.5399	0.482	5276	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	H(CCHH)	109.4836	0.033	7	109.4836	0.001	7	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]2Cr)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]2Cr)2(CH3)2	H(CCHH)	109.4773	0.028	3	109.4773	0.001	3	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]2Fe)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]2Fe)2(CH3)2	H(CCHH)	109.4770	0.050	5	109.4770	0.002	5	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]2Mo)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]2Mo)2(CH3)2	H(CCHH)	109.5006	0.030	11	109.5006	0.001	11	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]2Re)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]2Re)2(CH3)2	H(CCHH)	109.4673	0.015	4	109.4673	0.000	4	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]2Ru)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]2Ru)2(CH3)2	H(CCHH)	109.4832	0.036	5	109.4832	0.001	5	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]2W)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]2W)2(CH3)2	H(CCHH)	109.4598	0.049	6	109.4598	0.002	6	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]N[5]H)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]N[5]H)2(CH3)2	H(CCHH)	109.4843	0.043	13	109.4843	0.002	13	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(H)3	C(C[5]C[5]N[5]Sm)2(CH3)2	H(CCHH)	C(CC[5]2C)(H)3	C(C[5]C[5]N[5]Sm)2(CH3)2	H(CCHH)	109.4816	0.037	7	109.4816	0.001	7	109.4823	0.001	61	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	H(CCHH)	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	H(CCHH)	110.1902	1.972	6	110.1902	3.890	6	109.5580	0.480	48	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	H(CCHH)	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	H(CCHH)	109.4704	0.167	11	109.4704	0.028	11	109.5580	0.480	48	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	H(CCHH)	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	H(CCHH)	109.4624	0.038	5	109.4624	0.001	5	109.5580	0.480	48	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:	C(CC[5]C[6]C)(H)3	C(C[5]C[5]2Ti)(C[6]C[6]2Ti)(CH3)2	H(CCHH)	C(CC[5]C[6]C)(H)3	C(C[5]C[5]2Ti)(C[6]C[6]2Ti)(CH3)2	H(CCHH)	109.4587	0.018	3	109.4587	0.000	3	109.5580	0.480	48	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:	C(CC[5]C[6]C)(H)3	C(C[5]C[5]N[5]U)(C[6]C[6]2U)(CH3)2	H(CCHH)	C(CC[5]C[6]C)(H)3	C(C[5]C[5]N[5]U)(C[6]C[6]2U)(CH3)2	H(CCHH)	109.4688	0.063	23	109.4688	0.004	23	109.5580	0.480	48	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:P-4:C-4:C-4:	C-4:	C(CC[5]CP)(H)3	C(C[5]C[5]2Ti)(PC[6]2Ti)(CH3)2	H(CCHH)	C(CC[5]CP)(H)3	C(C[5]C[5]2Ti)(PC[6]2Ti)(CH3)2	H(CCHH)	109.4665	0.057	12	109.4665	0.003	12	109.4665	0.003	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6,6]-4:C-4:C-4:C-4:	C-4:	C(CC[6,6]CC)(H)3	C(C[6,6]P[3x6]P[6,6]W)(CH3)3	H(CCHH)	C(CC[6,6]CC)(H)3	C(C[6,6]P[3x6]P[6,6]W)(CH3)3	H(CCHH)	109.4875	0.056	11	109.4875	0.003	11	109.4875	0.003	11	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(CCHH)	109.6363	0.845	81	109.6363	0.714	81	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]C)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]C)(CH3)3	H(CCHH)	109.4748	0.049	8	109.4748	0.002	8	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(CCHH)	109.4885	1.606	163	109.4885	2.579	163	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6]H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6]H)(CH3)3	H(CCHH)	109.4789	0.035	23	109.4789	0.001	23	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(CCHH)	109.4725	0.011	2	109.4725	0.000	2	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6,6a]2C)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6,6a]2C)(CH3)3	H(CCHH)	109.4705	0.006	2	109.4705	0.000	2	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)3	H(CCHH)	109.4590	0.051	30	109.4590	0.003	30	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6,6a]S[6]H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6,6a]S[6]H)(CH3)3	H(CCHH)	109.4805	0.033	6	109.4805	0.001	6	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2C)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2C)(CH3)3	H(CCHH)	109.8375	1.368	22	109.8375	1.871	22	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2Cl)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2Cl)(CH3)3	H(CCHH)	109.4615	0.021	6	109.4615	0.000	6	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2Cr)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2Cr)(CH3)3	H(CCHH)	109.4630	0.050	32	109.4630	0.002	32	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2Fe)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2Fe)(CH3)3	H(CCHH)	109.6880	2.118	63	109.6880	4.484	63	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)2	H(CCHH)	109.6465	0.463	53	109.6465	0.215	53	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	H(CCHH)	111.0637	3.000	12	111.0637	9.000	12	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)3	H(CCHH)	109.8338	2.001	418	109.8338	4.002	418	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2Mo)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2Mo)(CH3)3	H(CCHH)	109.4695	0.058	423	109.4695	0.003	423	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2Ni)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2Ni)(CH3)3	H(CCHH)	109.4677	0.028	10	109.4677	0.001	10	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2O)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2O)(CH3)3	H(CCHH)	110.6113	1.584	14	110.6113	2.509	14	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]2Ru)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]2Ru)(CH3)3	H(CCHH)	109.5197	0.107	9	109.5197	0.011	9	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	H(CCHH)	109.8473	1.314	6	109.8473	1.727	6	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]N[6]H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]N[6]H)(CH3)3	H(CCHH)	109.4660	0.038	34	109.4660	0.001	34	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]C)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]C)(CH3)3	H(CCHH)	109.4727	0.026	20	109.4727	0.001	20	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	H(CCHH)	109.4764	0.020	10	109.4764	0.000	10	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CH3)3	H(CCHH)	109.7859	1.806	87	109.7859	3.262	87	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	H(CCHH)	109.4812	2.909	11	109.4812	8.462	11	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]Ge[6]C[6]Ru)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]Ge[6]C[6]Ru)(CH3)3	H(CCHH)	109.4807	0.039	9	109.4807	0.001	9	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]N[6]2H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]N[6]2H)(CH3)3	H(CCHH)	109.4616	0.039	8	109.4616	0.001	8	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]O[6]2C)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]O[6]2C)(CH3)3	H(CCHH)	109.4792	0.029	6	109.4792	0.001	6	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]O[6]2H)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]O[6]2H)(CH3)3	H(CCHH)	109.4721	0.041	32	109.4721	0.002	32	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]S[6]2C)(CCHO)(CH3)2	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]S[6]2C)(CCHO)(CH3)2	H(CCHH)	109.9787	0.938	12	109.9787	0.880	12	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(H)3	C(C[6]Si[6]C[6]Si)(CH3)3	H(CCHH)	C(CC[6]CC)(H)3	C(C[6]Si[6]C[6]Si)(CH3)3	H(CCHH)	109.2347	0.355	9	109.2347	0.126	9	109.6358	1.897	1621	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:	C(CC[6]2C)(H)3	C(C[6]C[6]2H)2(CH3)2	H(CCHH)	C(CC[6]2C)(H)3	C(C[6]C[6]2H)2(CH3)2	H(CCHH)	109.4782	0.032	5	109.4782	0.001	5	109.4782	0.001	5	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaC3)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaC3)(CH3)3	H(CCHH)	110.9768	1.840	80	110.9768	3.387	80	110.2843	2.389	148	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaCOO)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaCOO)(CH3)3	H(CCHH)	109.4693	0.038	10	109.4693	0.001	10	110.2843	2.389	148	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaC[5]CP)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaC[5]CP)(CH3)3	H(CCHH)	109.4835	0.042	11	109.4835	0.002	11	110.2843	2.389	148	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaClCC)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaClCC)(CH3)3	H(CCHH)	109.4702	0.031	10	109.4702	0.001	10	110.2843	2.389	148	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaSbCC)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaSbCC)(CH3)3	H(CCHH)	109.4654	0.037	37	109.4654	0.001	37	110.2843	2.389	148	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[3x6]-4:C-4:C-4:C-4:	C-4:	C(CGa[3x6]CC)(H)3	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	H(CCHH)	C(CGa[3x6]CC)(H)3	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	H(CCHH)	109.4725	0.042	14	109.4725	0.002	14	109.4725	0.002	14	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4,4,6]-4:C-4:C-4:C-4:	C-4:	C(CGa[4,4,6]CC)(H)3	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	H(CCHH)	C(CGa[4,4,6]CC)(H)3	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	H(CCHH)	109.4702	0.043	10	109.4702	0.002	10	109.4702	0.002	10	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4,6,6]-4:C-4:C-4:C-4:	C-4:	C(CGa[4,6,6]CC)(H)3	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	H(CCHH)	C(CGa[4,6,6]CC)(H)3	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	H(CCHH)	109.4540	0.050	11	109.4540	0.003	11	109.4540	0.003	11	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:C-4:	C-4:	C(CGa[4]CC)(H)3	C(Ga[4]N[4,5]C[4]H)(CH3)3	H(CCHH)	C(CGa[4]CC)(H)3	C(Ga[4]N[4,5]C[4]H)(CH3)3	H(CCHH)	109.4594	0.043	5	109.4594	0.002	5	109.4852	0.010	81	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:C-4:	C-4:	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2C)(CH3)3	H(CCHH)	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2C)(CH3)3	H(CCHH)	109.4642	0.047	15	109.4642	0.002	15	109.4852	0.010	81	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:C-4:	C-4:	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2Cl)(CH3)3	H(CCHH)	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2Cl)(CH3)3	H(CCHH)	109.4718	0.033	12	109.4718	0.001	12	109.4852	0.010	81	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:C-4:	C-4:	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2H)(CH3)3	H(CCHH)	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2H)(CH3)3	H(CCHH)	109.4879	0.049	8	109.4879	0.002	8	109.4852	0.010	81	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:C-4:	C-4:	C(CGa[4]CC)(H)3	C(Ga[4]O[4]2C)(CH3)3	H(CCHH)	C(CGa[4]CC)(H)3	C(Ga[4]O[4]2C)(CH3)3	H(CCHH)	109.4709	0.038	11	109.4709	0.001	11	109.4852	0.010	81	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:C-4:	C-4:	C(CGa[4]CC)(H)3	C(Ga[4]P[4]2C)(CH3)3	H(CCHH)	C(CGa[4]CC)(H)3	C(Ga[4]P[4]2C)(CH3)3	H(CCHH)	109.5099	0.153	30	109.5099	0.023	30	109.4852	0.010	81	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[5,5]-4:C-4:C-4:C-4:	C-4:	C(CGa[5,5]CC)(H)3	C(Ga[5,5]P[5,5]S[5]2)(CH3)3	H(CCHH)	C(CGa[5,5]CC)(H)3	C(Ga[5,5]P[5,5]S[5]2)(CH3)3	H(CCHH)	109.4746	0.033	9	109.4746	0.001	9	109.4746	0.001	9	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C-4:C-4:C-4:	C-4:	C(CGa[5]CC)(H)3	C(Ga[5]N[5]O[5]C)(CH3)3	H(CCHH)	C(CGa[5]CC)(H)3	C(Ga[5]N[5]O[5]C)(CH3)3	H(CCHH)	109.8263	3.860	18	109.8263	14.897	18	109.8845	6.589	51	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C-4:C-4:C-4:	C-4:	C(CGa[5]CC)(H)3	C(Ga[5]O[5,6]O[5]C)(CH3)3	H(CCHH)	C(CGa[5]CC)(H)3	C(Ga[5]O[5,6]O[5]C)(CH3)3	H(CCHH)	109.4859	0.046	15	109.4859	0.002	15	109.8845	6.589	51	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[5]-4:C-4:C-4:C-4:	C-4:	C(CGa[5]CC)(H)3	C(Ga[5]O[5]2C)(CH3)3	H(CCHH)	C(CGa[5]CC)(H)3	C(Ga[5]O[5]2C)(CH3)3	H(CCHH)	110.2748	2.044	18	110.2748	4.177	18	109.8845	6.589	51	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:C-4:C-4:	C-4:	C(CGa[6]CC)(H)3	C(Ga[6]C[6]N[6]C)(CH3)3	H(CCHH)	C(CGa[6]CC)(H)3	C(Ga[6]C[6]N[6]C)(CH3)3	H(CCHH)	109.4677	0.021	7	109.4677	0.000	7	109.4733	0.001	35	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:C-4:C-4:	C-4:	C(CGa[6]CC)(H)3	C(Ga[6]C[6]S[6]C)(CH3)3	H(CCHH)	C(CGa[6]CC)(H)3	C(Ga[6]C[6]S[6]C)(CH3)3	H(CCHH)	109.4633	0.027	7	109.4633	0.001	7	109.4733	0.001	35	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:C-4:C-4:	C-4:	C(CGa[6]CC)(H)3	C(Ga[6]N[6]2Cl)(CH3)3	H(CCHH)	C(CGa[6]CC)(H)3	C(Ga[6]N[6]2Cl)(CH3)3	H(CCHH)	109.4758	0.050	5	109.4758	0.003	5	109.4733	0.001	35	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga[6]-4:C-4:C-4:C-4:	C-4:	C(CGa[6]CC)(H)3	C(Ga[6]N[6]O[6]C)(CH3)3	H(CCHH)	C(CGa[6]CC)(H)3	C(Ga[6]N[6]O[6]C)(CH3)3	H(CCHH)	109.4793	0.034	16	109.4793	0.001	16	109.4733	0.001	35	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeC3)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeC3)(CH3)3	H(CCHH)	109.4805	0.036	14	109.4805	0.001	14	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeC[6a]3)(CCHH)(CH3)2	H(CCHH)	C(CGeCC)(H)3	C(GeC[6a]3)(CCHH)(CH3)2	H(CCHH)	109.4506	0.025	9	109.4506	0.001	9	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeC[6a]CF)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeC[6a]CF)(CH3)3	H(CCHH)	109.5133	0.041	7	109.5133	0.002	7	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeCl3)(CCHH)(CH3)2	H(CCHH)	C(CGeCC)(H)3	C(GeCl3)(CCHH)(CH3)2	H(CCHH)	109.4990	0.046	10	109.4990	0.002	10	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeClTe2)(CCHH)(CH3)2	H(CCHH)	C(CGeCC)(H)3	C(GeClTe2)(CCHH)(CH3)2	H(CCHH)	109.4737	0.025	4	109.4737	0.001	4	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeGeCC)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeGeCC)(CH3)3	H(CCHH)	109.4630	0.033	7	109.4630	0.001	7	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeMnFN)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeMnFN)(CH3)3	H(CCHH)	109.4686	0.041	5	109.4686	0.002	5	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeMnOO)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeMnOO)(CH3)3	H(CCHH)	109.4687	0.043	12	109.4687	0.002	12	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeO3)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeO3)(CH3)3	H(CCHH)	109.4731	0.052	11	109.4731	0.003	11	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeRu2N)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeRu2N)(CH3)3	H(CCHH)	109.4718	0.050	6	109.4718	0.003	6	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(H)3	C(GeSnCC)(CH3)3	H(CCHH)	C(CGeCC)(H)3	C(GeSnCC)(CH3)3	H(CCHH)	109.4814	0.070	21	109.4814	0.005	21	109.4775	0.002	106	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(H)3	C(Ge[4]C[4]2C)(CH3)3	H(CCHH)	C(CGe[4]CC)(H)3	C(Ge[4]C[4]2C)(CH3)3	H(CCHH)	109.4796	0.044	11	109.4796	0.002	11	109.4807	0.002	79	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(H)3	C(Ge[4]C[6a]C[4]O[4])(CH3)3	H(CCHH)	C(CGe[4]CC)(H)3	C(Ge[4]C[6a]C[4]O[4])(CH3)3	H(CCHH)	109.4655	0.034	6	109.4655	0.001	6	109.4807	0.002	79	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Au)(CH3)3	H(CCHH)	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Au)(CH3)3	H(CCHH)	109.4864	0.070	8	109.4864	0.005	8	109.4807	0.002	79	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Ir)(CH3)3	H(CCHH)	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Ir)(CH3)3	H(CCHH)	109.4844	0.041	10	109.4844	0.002	10	109.4807	0.002	79	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Mn)(CH3)3	H(CCHH)	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Mn)(CH3)3	H(CCHH)	109.4908	0.045	19	109.4908	0.002	19	109.4807	0.002	79	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Ru)(CH3)3	H(CCHH)	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Ru)(CH3)3	H(CCHH)	109.4751	0.049	20	109.4751	0.002	20	109.4807	0.002	79	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(H)3	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	H(CCHH)	C(CGe[4]CC)(H)3	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	H(CCHH)	109.4690	0.017	5	109.4690	0.000	5	109.4807	0.002	79	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[6]-4:C-4:C-4:C-4:	C-4:	C(CGe[6]CC)(H)3	C(Ge[6]C[6a]C[6]O[6])(CH3)3	H(CCHH)	C(CGe[6]CC)(H)3	C(Ge[6]C[6a]C[6]O[6])(CH3)3	H(CCHH)	109.5057	0.044	6	109.5057	0.002	6	109.5057	0.002	6	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	In[6]-4:C-4:C-4:C-4:	C-4:	C(CIn[6]CC)(H)3	C(In[6]N[6]2Br)(CH3)3	H(CCHH)	C(CIn[6]CC)(H)3	C(In[6]N[6]2Br)(CH3)3	H(CCHH)	109.4570	0.049	6	109.4570	0.002	6	109.4570	0.002	6	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAl2C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAl2C)(CH3)3	H(CCHH)	109.4676	0.037	20	109.4676	0.001	20	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAl2H)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAl2H)(CH3)3	H(CCHH)	109.4932	0.025	5	109.4932	0.001	5	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAlCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAlCH)(CH3)3	H(CCHH)	109.4703	0.034	75	109.4703	0.001	75	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAlCrP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAlCrP)(CH3)3	H(CCHH)	109.4533	0.050	7	109.4533	0.003	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NAlHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NAlHH)(CH3)3	H(CCHH)	109.4799	0.069	17	109.4799	0.005	17	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NBBH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NBBH)(CH3)3	H(CCHH)	109.4698	0.026	13	109.4698	0.001	13	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NBCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NBCH)(CH3)3	H(CCHH)	109.4617	0.033	4	109.4617	0.001	4	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NBHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NBHH)(CH3)3	H(CCHH)	109.4680	0.040	10	109.4680	0.002	10	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NBiCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NBiCC)(CH3)3	H(CCHH)	109.4581	0.162	55	109.4581	0.026	55	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCCH)(CH3)3	H(CCHH)	109.4656	0.050	12	109.4656	0.003	12	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCHH)(CH3)3	H(CCHH)	109.5538	0.665	201	109.5538	0.442	201	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCWW)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCWW)(CH3)3	H(CCHH)	109.4749	0.034	7	109.4749	0.001	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]CH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]CH)(CH3)3	H(CCHH)	109.7063	3.162	9	109.7063	9.998	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]HH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]HH)(CH3)3	H(CCHH)	109.4773	0.031	13	109.4773	0.001	13	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]ReH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]ReH)(CH3)3	H(CCHH)	109.4709	0.045	24	109.4709	0.002	24	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]CeO)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]CeO)(CH3)3	H(CCHH)	109.4672	0.035	11	109.4672	0.001	11	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]HH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]HH)(CH3)3	H(CCHH)	109.4968	0.017	5	109.4968	0.000	5	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6]NdO)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NC[6]NdO)(CH3)3	H(CCHH)	109.4576	0.061	15	109.4576	0.004	15	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NC[6a]HH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NC[6a]HH)(CCHH)(CH3)2	H(CCHH)	109.8148	1.088	12	109.8148	1.184	12	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCdHH)(CHHN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCdHH)(CHHN)(CH3)2	H(CCHH)	109.4708	0.130	6	109.4708	0.017	6	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCdHH)(CHHN)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NCdHH)(CHHN)2(CH3)	H(CCHH)	109.4833	0.053	3	109.4833	0.003	3	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCoCC)(CH3)3	H(CCHH)	110.2664	1.787	83	110.2664	3.193	83	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoCH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCoCH)(CCHH)(CH3)2	H(CCHH)	109.6043	1.073	50	109.6043	1.152	50	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCoCH)(CH3)3	H(CCHH)	109.4713	0.045	11	109.4713	0.002	11	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoHH)(CCCN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCoHH)(CCCN)(CH3)2	H(CCHH)	110.6804	1.621	12	110.6804	2.627	12	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoHH)(CHHN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCoHH)(CHHN)(CH3)2	H(CCHH)	109.4668	0.050	10	109.4668	0.002	10	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCoHH)(CHHN)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NCoHH)(CHHN)2(CH3)	H(CCHH)	109.4785	0.047	28	109.4785	0.002	28	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCrCH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCrCH)(CCHH)(CH3)2	H(CCHH)	109.4695	0.029	47	109.4695	0.001	47	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCrSiSn)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCrSiSn)(CH3)3	H(CCHH)	109.4721	0.022	7	109.4721	0.000	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCuCC)(CH3)3	H(CCHH)	109.4750	0.041	66	109.4750	0.002	66	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)2	H(CCHH)	109.5628	0.853	82	109.5628	0.728	82	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCuCH)(CH3)3	H(CCHH)	109.4761	0.050	37	109.4761	0.003	37	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuHH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCuHH)(CCHH)(CH3)2	H(CCHH)	109.4708	0.045	4	109.4708	0.002	4	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuHH)(CHHN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NCuHH)(CHHN)(CH3)2	H(CCHH)	115.0010	3.880	6	115.0010	15.052	6	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuHH)(CHHN)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NCuHH)(CHHN)2(CH3)	H(CCHH)	109.4010	0.037	3	109.4010	0.001	3	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NCuSiSn)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NCuSiSn)(CH3)3	H(CCHH)	109.4576	0.129	25	109.4576	0.017	25	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFe3)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NFe3)(CH3)3	H(CCHH)	109.5105	0.072	6	109.5105	0.005	6	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFeCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NFeCC)(CH3)3	H(CCHH)	109.4732	0.083	36	109.4732	0.007	36	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFeCH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NFeCH)(CCHH)(CH3)2	H(CCHH)	109.4720	0.014	8	109.4720	0.000	8	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFeHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NFeHH)(CH3)3	H(CCHH)	109.4733	0.033	8	109.4733	0.001	8	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NFeHH)(CHHN)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NFeHH)(CHHN)2(CH3)	H(CCHH)	109.9028	1.731	6	109.9028	2.997	6	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NGaHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NGaHH)(CH3)3	H(CCHH)	109.4778	0.032	8	109.4778	0.001	8	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NHHN)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NHHN)(CH3)3	H(CCHH)	109.4666	0.028	7	109.4666	0.001	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NHHW)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NHHW)(CH3)3	H(CCHH)	109.4705	0.049	8	109.4705	0.002	8	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NIr3)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NIr3)(CH3)3	H(CCHH)	109.4403	0.070	7	109.4403	0.005	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NIrHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NIrHH)(CH3)3	H(CCHH)	109.4346	0.061	8	109.4346	0.004	8	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLi2B)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLi2B)(CH3)3	H(CCHH)	109.4651	0.030	9	109.4651	0.001	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLi2C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLi2C)(CH3)3	H(CCHH)	109.4552	0.055	13	109.4552	0.003	13	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLi2P)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLi2P)(CH3)3	H(CCHH)	109.4828	0.028	5	109.4828	0.001	5	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLi2S)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLi2S)(CH3)3	H(CCHH)	109.4652	0.032	9	109.4652	0.001	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLiCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLiCH)(CH3)3	H(CCHH)	109.4484	0.038	8	109.4484	0.001	8	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLiHP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLiHP)(CH3)3	H(CCHH)	109.4742	0.100	20	109.4742	0.010	20	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMgBC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMgBC)(CH3)3	H(CCHH)	109.4665	0.045	14	109.4665	0.002	14	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMgHP)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMgHP)(CH3)3	H(CCHH)	109.4607	0.135	17	109.4607	0.018	17	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMnCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMnCC)(CH3)3	H(CCHH)	109.4790	0.048	25	109.4790	0.002	25	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NMoCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NMoCH)(CH3)3	H(CCHH)	109.4768	0.029	6	109.4768	0.001	6	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNiCC)(CH3)3	H(CCHH)	109.4697	0.043	123	109.4697	0.002	123	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiCH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NNiCH)(CCHH)(CH3)2	H(CCHH)	109.4705	0.050	412	109.4705	0.002	412	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNiCH)(CH3)3	H(CCHH)	109.4638	0.043	27	109.4638	0.002	27	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiHH)(CCCN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NNiHH)(CCCN)(CH3)2	H(CCHH)	109.4670	0.046	9	109.4670	0.002	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiHH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NNiHH)(CCHH)(CH3)2	H(CCHH)	109.4924	0.059	10	109.4924	0.004	10	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNiHH)(CH3)3	H(CCHH)	109.4226	0.151	9	109.4226	0.023	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiHH)(CHHN)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NNiHH)(CHHN)2(CH3)	H(CCHH)	109.4317	0.042	3	109.4317	0.002	3	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NNiHN)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NNiHN)(CH3)3	H(CCHH)	109.4686	0.033	8	109.4686	0.001	8	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NOsHH)(CCCN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NOsHH)(CCCN)(CH3)2	H(CCHH)	109.4795	0.053	23	109.4795	0.003	23	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]CrLi)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]CrLi)(CH3)3	H(CCHH)	109.4916	0.049	9	109.4916	0.002	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NP[4]Li2)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NP[4]Li2)(CH3)3	H(CCHH)	109.4697	0.050	22	109.4697	0.003	22	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPdCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NPdCC)(CH3)3	H(CCHH)	109.4713	0.038	47	109.4713	0.001	47	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPdCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NPdCH)(CH3)3	H(CCHH)	109.4650	0.040	29	109.4650	0.002	29	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPdHH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NPdHH)(CCHH)(CH3)2	H(CCHH)	109.4833	0.037	19	109.4833	0.001	19	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPdHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NPdHH)(CH3)3	H(CCHH)	109.4702	0.056	16	109.4702	0.003	16	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPtHH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NPtHH)(CCHH)(CH3)2	H(CCHH)	109.4607	0.018	3	109.4607	0.000	3	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NPtHO)(CCCN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NPtHO)(CCCN)(CH3)2	H(CCHH)	109.4838	0.040	16	109.4838	0.002	16	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRhCH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NRhCH)(CCHH)(CH3)2	H(CCHH)	109.4444	0.043	7	109.4444	0.002	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRhHH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NRhHH)(CCHH)(CH3)2	H(CCHH)	109.4820	0.039	4	109.4820	0.002	4	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRuCH)(CCCN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NRuCH)(CCCN)(CH3)2	H(CCHH)	109.4698	0.055	9	109.4698	0.003	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRuCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NRuCH)(CH3)3	H(CCHH)	109.4799	0.073	17	109.4799	0.005	17	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NRuHH)(CCCN)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NRuHH)(CCCN)(CH3)2	H(CCHH)	109.4684	0.041	43	109.4684	0.002	43	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSbCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSbCC)(CH3)3	H(CCHH)	109.4690	0.040	24	109.4690	0.002	24	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSbCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSbCH)(CH3)3	H(CCHH)	109.4527	0.114	7	109.4527	0.013	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSiZnH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSiZnH)(CH3)3	H(CCHH)	109.4786	0.042	7	109.4786	0.002	7	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSn2P)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSn2P)(CH3)3	H(CCHH)	109.4650	0.336	9	109.4650	0.113	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSn2Te)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSn2Te)(CH3)3	H(CCHH)	109.4778	0.027	6	109.4778	0.001	6	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSnCC)(CHHO)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NSnCC)(CHHO)(CH3)2	H(CCHH)	109.4940	0.062	27	109.4940	0.004	27	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NSnCH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NSnCH)(CH3)3	H(CCHH)	109.4481	0.044	10	109.4481	0.002	10	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZn2C)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZn2C)(CH3)3	H(CCHH)	109.4665	0.062	11	109.4665	0.004	11	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZnCC)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZnCC)(CH3)3	H(CCHH)	109.4885	0.057	13	109.4885	0.003	13	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZnCH)(CCHH)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NZnCH)(CCHH)(CH3)2	H(CCHH)	109.4571	0.053	19	109.4571	0.003	19	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZnHH)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NZnHH)(CH3)3	H(CCHH)	109.4767	0.041	9	109.4767	0.002	9	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NZnHH)(CHHN)2(CH3)	H(CCHH)	C(CCCN)(H)3	C(NZnHH)(CHHN)2(CH3)	H(CCHH)	109.5095	0.029	2	109.5095	0.001	2	109.5390	0.419	2232	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:C-4:P-4:	C-4:	C(CCNP)(H)3	C(NCHH)(CH3)2(PO3)	H(CCHH)	C(CCNP)(H)3	C(NCHH)(CH3)2(PO3)	H(CCHH)	109.4654	0.028	5	109.4654	0.001	5	109.4654	0.001	5	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:P-4:P-4:	C-4:	C(CNPP)(H)3	C(NNiHH)(CH3)(PO3)2	H(CCHH)	C(CNPP)(H)3	C(NNiHH)(CH3)(PO3)2	H(CCHH)	109.4834	0.031	5	109.4834	0.001	5	109.6921	0.997	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-4:P-4:P-4:	C-4:	C(CNPP)(H)3	C(NZnHH)(CH3)(PO3)2	H(CCHH)	C(CNPP)(H)3	C(NZnHH)(CH3)(PO3)2	H(CCHH)	110.0400	1.788	3	110.0400	3.196	3	109.6921	0.997	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3,4]-4:C-4:C-4:C-4:	C-4:	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	H(CCHH)	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	H(CCHH)	109.4549	0.037	7	109.4549	0.001	7	109.4623	0.001	13	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3,4]-4:C-4:C-4:C-4:	C-4:	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	H(CCHH)	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	H(CCHH)	109.4710	0.032	6	109.4710	0.001	6	109.4623	0.001	13	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[3x6]-4:C-4:C-4:C-4:	C-4:	C(CN[3x6]CC)(H)3	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	H(CCHH)	C(CN[3x6]CC)(H)3	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	H(CCHH)	109.4807	0.042	16	109.4807	0.002	16	109.4807	0.002	16	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4,5]-4:C-4:C-4:C-4:	C-4:	C(CN[4,5]CC)(H)3	C(N[4,5]Ga[4,5,5]Ga[4]C[5])(CH3)3	H(CCHH)	C(CN[4,5]CC)(H)3	C(N[4,5]Ga[4,5,5]Ga[4]C[5])(CH3)3	H(CCHH)	109.4736	0.106	54	109.4736	0.011	54	109.4733	0.010	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4,5]-4:C-4:C-4:C-4:	C-4:	C(CN[4,5]CC)(H)3	C(N[4,5]Si[4,5]2C[5])(CH3)3	H(CCHH)	C(CN[4,5]CC)(H)3	C(N[4,5]Si[4,5]2C[5])(CH3)3	H(CCHH)	109.4708	0.026	5	109.4708	0.001	5	109.4733	0.010	59	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]B[4]2H)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]B[4]2H)(CH3)3	H(CCHH)	109.4882	0.017	4	109.4882	0.000	4	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]B[4]C[4]Rh)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]B[4]C[4]Rh)(CH3)3	H(CCHH)	109.4682	0.020	55	109.4682	0.000	55	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ga[3,3,4]Ga[4]H)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ga[3,3,4]Ga[4]H)(CH3)3	H(CCHH)	109.4801	0.034	7	109.4801	0.001	7	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]Ga[4]2H)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]Ga[4]2H)(CH3)3	H(CCHH)	109.4705	0.042	13	109.4705	0.002	13	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2Cr)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2Cr)(CH3)3	H(CCHH)	109.4590	0.023	6	109.4590	0.001	6	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2Hf)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2Hf)(CH3)3	H(CCHH)	109.4656	0.036	11	109.4656	0.001	11	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2Li)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2Li)(CH3)3	H(CCHH)	109.4598	0.044	28	109.4598	0.002	28	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2Mg)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2Mg)(CH3)3	H(CCHH)	109.4691	0.045	23	109.4691	0.002	23	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2Sb)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2Sb)(CH3)3	H(CCHH)	109.4629	0.048	26	109.4629	0.002	26	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2Ti)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2Ti)(CH3)3	H(CCHH)	109.4691	0.033	15	109.4691	0.001	15	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2V)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2V)(CH3)3	H(CCHH)	109.4659	0.038	7	109.4659	0.001	7	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[4]-4:C-4:C-4:C-4:	C-4:	C(CN[4]CC)(H)3	C(N[4]P[4]2Zr)(CH3)3	H(CCHH)	C(CN[4]CC)(H)3	C(N[4]P[4]2Zr)(CH3)3	H(CCHH)	109.4788	0.024	11	109.4788	0.001	11	109.4676	0.001	206	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5,5,6]-4:C-4:C-4:C-4:	C-4:	C(CN[5,5,6]CC)(H)3	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	H(CCHH)	C(CN[5,5,6]CC)(H)3	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	H(CCHH)	109.4752	0.031	6	109.4752	0.001	6	109.4752	0.001	6	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5,5]-4:C-4:C-4:C-4:	C-4:	C(CN[5,5]CC)(H)3	C(N[5,5]B[5,5]C[5]2)(CH3)3	H(CCHH)	C(CN[5,5]CC)(H)3	C(N[5,5]B[5,5]C[5]2)(CH3)3	H(CCHH)	110.7168	2.133	12	110.7168	4.550	12	110.7168	4.550	12	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5,6,6,6a,6a]-4:C-4:C-4:C-4:	C-4:	C(CN[5,6,6,6a,6a]CC)(H)3	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	H(CCHH)	C(CN[5,6,6,6a,6a]CC)(H)3	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	H(CCHH)	109.9107	2.152	9	109.9107	4.631	9	109.9107	4.631	9	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]B[5]C[5]Ru)(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]B[5]C[5]Ru)(CH3)3	H(CCHH)	109.4616	0.057	19	109.4616	0.003	19	109.4017	0.109	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]B[5]C[5]Ti)(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]B[5]C[5]Ti)(CH3)3	H(CCHH)	109.4701	0.036	12	109.4701	0.001	12	109.4017	0.109	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]C[5]2H)(CH3)3	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]C[5]2H)(CH3)3	H(CCHH)	109.4462	0.034	5	109.4462	0.001	5	109.4017	0.109	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(H)3	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	H(CCHH)	C(CN[5]CC)(H)3	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	H(CCHH)	108.6740	1.084	3	108.6740	1.174	3	109.4017	0.109	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]B[6]C[6]H)(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]B[6]C[6]H)(CH3)3	H(CCHH)	109.9643	1.188	15	109.9643	1.411	15	109.6059	1.541	197	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2Co)(CHHN)2(CH3)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2Co)(CHHN)2(CH3)	H(CCHH)	109.4619	0.032	10	109.4619	0.001	10	109.6059	1.541	197	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2Cu)(CHHN)2(CH3)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2Cu)(CHHN)2(CH3)	H(CCHH)	109.4667	0.037	6	109.4667	0.001	6	109.6059	1.541	197	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2H)(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2H)(CH3)3	H(CCHH)	109.5989	2.345	16	109.5989	5.498	16	109.6059	1.541	197	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2Mo)(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2Mo)(CH3)3	H(CCHH)	109.5172	0.719	112	109.5172	0.517	112	109.6059	1.541	197	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2W)(CH3)3	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2W)(CH3)3	H(CCHH)	109.8142	2.013	35	109.8142	4.053	35	109.6059	1.541	197	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(H)3	C(N[6]C[6]2Zn)(CHHN)2(CH3)	H(CCHH)	C(CN[6]CC)(H)3	C(N[6]C[6]2Zn)(CHHN)2(CH3)	H(CCHH)	109.4917	0.023	3	109.4917	0.001	3	109.6059	1.541	197	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OCe3)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OCe3)(CH3)3	H(CCHH)	109.4790	0.095	3	109.4790	0.009	3	109.4858	0.532	101	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OCu3)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OCu3)(CH3)3	H(CCHH)	109.4813	0.034	9	109.4813	0.001	9	109.4858	0.532	101	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLi2Pb)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLi2Pb)(CH3)3	H(CCHH)	109.5079	0.052	8	109.5079	0.003	8	109.4858	0.532	101	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLi2Zn)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLi2Zn)(CH3)3	H(CCHH)	109.4731	0.079	15	109.4731	0.006	15	109.4858	0.532	101	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLi3)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLi3)(CH3)3	H(CCHH)	109.4977	1.110	44	109.4977	1.232	44	109.4858	0.532	101	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLiZn2)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLiZn2)(CH3)3	H(CCHH)	109.4658	0.047	14	109.4658	0.002	14	109.4858	0.532	101	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-4:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OZn3)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OZn3)(CH3)3	H(CCHH)	109.4649	0.065	8	109.4649	0.004	8	109.4858	0.532	101	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:B-4:C-4:C-4:	C-4:	C(CBCP)(H)3	C(PC[6a]3)(BH3)(CH3)2	H(CCHH)	C(CBCP)(H)3	C(PC[6a]3)(BH3)(CH3)2	H(CCHH)	109.4680	0.019	4	109.4680	0.000	4	109.4680	0.000	4	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PAgCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PAgCC)(CH3)3	H(CCHH)	109.4709	0.045	28	109.4709	0.002	28	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PAl2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PAl2C)(CH3)3	H(CCHH)	109.4714	0.053	12	109.4714	0.003	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PAlCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PAlCC)(CH3)3	H(CCHH)	109.4661	0.028	8	109.4661	0.001	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PAlNN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PAlNN)(CH3)3	H(CCHH)	109.4812	0.034	6	109.4812	0.001	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PAu2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PAu2C)(CH3)3	H(CCHH)	109.4838	0.037	9	109.4838	0.001	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PAuCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PAuCC)(CH3)3	H(CCHH)	109.4730	0.051	152	109.4730	0.003	152	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBBC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBBC)(CH3)3	H(CCHH)	109.4714	0.035	18	109.4714	0.001	18	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBBH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBBH)(CH3)3	H(CCHH)	109.4582	0.029	6	109.4582	0.001	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBCC)(CH3)3	H(CCHH)	109.6324	0.719	90	109.6324	0.517	90	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBCH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBCH)(CH3)3	H(CCHH)	109.4736	0.042	57	109.4736	0.002	57	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBCN)(CH3)3	H(CCHH)	109.4728	0.045	56	109.4728	0.002	56	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBCO)(CH3)3	H(CCHH)	109.4757	0.033	31	109.4757	0.001	31	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBOO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBOO)(CH3)3	H(CCHH)	109.4536	0.051	9	109.4536	0.003	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PB[5]CH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PB[5]CH)(CH3)3	H(CCHH)	109.4672	0.018	6	109.4672	0.000	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PB[5a]CC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PB[5a]CC)(CH3)3	H(CCHH)	110.5400	2.711	41	110.5400	7.349	41	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PB[6]CC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PB[6]CC)(CH3)3	H(CCHH)	109.4613	0.050	11	109.4613	0.003	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PB[6]PtC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PB[6]PtC)(CH3)3	H(CCHH)	109.4739	0.068	23	109.4739	0.005	23	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PB[6]RhC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PB[6]RhC)(CH3)3	H(CCHH)	109.4749	0.034	10	109.4749	0.001	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PBrCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PBrCC)(CH3)3	H(CCHH)	109.4986	0.077	19	109.4986	0.006	19	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCF)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCF)(CH3)3	H(CCHH)	109.4752	0.048	13	109.4752	0.002	13	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCH)(CH3)3	H(CCHH)	109.5209	0.530	419	109.5209	0.281	419	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCI)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCI)(CH3)3	H(CCHH)	109.4861	0.040	11	109.4861	0.002	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCN)(CH3)3	H(CCHH)	109.4974	0.403	162	109.4974	0.163	162	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCO)(CH3)3	H(CCHH)	109.4776	0.047	75	109.4776	0.002	75	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCP)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCP)(CH3)3	H(CCHH)	109.4838	0.050	9	109.4838	0.002	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCS)(CH3)3	H(CCHH)	109.4725	0.038	84	109.4725	0.001	84	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCCW)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCCW)(CH3)3	H(CCHH)	109.4746	0.225	43	109.4746	0.051	43	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCHH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCHH)(CH3)3	H(CCHH)	109.4601	0.038	8	109.4601	0.001	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCHN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCHN)(CH3)3	H(CCHH)	109.4714	0.038	13	109.4714	0.001	13	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCHO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCHO)(CH3)3	H(CCHH)	109.4652	0.034	40	109.4652	0.001	40	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCII)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCII)(CH3)3	H(CCHH)	109.4676	0.068	36	109.4676	0.005	36	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCIN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCIN)(CH3)3	H(CCHH)	109.4659	0.053	27	109.4659	0.003	27	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCNN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCNN)(CH3)3	H(CCHH)	109.4667	0.025	12	109.4667	0.001	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCNO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCNO)(CH3)3	H(CCHH)	109.4666	0.032	18	109.4666	0.001	18	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCNS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCNS)(CH3)3	H(CCHH)	109.4823	0.051	21	109.4823	0.003	21	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCNW)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCNW)(CH3)3	H(CCHH)	109.4767	0.042	12	109.4767	0.002	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCOO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCOO)(CH3)3	H(CCHH)	109.4617	0.161	63	109.4617	0.026	63	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCPW)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCPW)(CH3)3	H(CCHH)	109.4703	0.071	57	109.4703	0.005	57	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[3]CC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[3]CC)(CH3)3	H(CCHH)	109.4729	0.030	10	109.4729	0.001	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[3]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[3]PdC)(CH3)3	H(CCHH)	109.4723	0.034	9	109.4723	0.001	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]CuS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]CuS)(CH3)3	H(CCHH)	109.4711	0.031	8	109.4711	0.001	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[3x6]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[3x6]PdC)(CH3)3	H(CCHH)	109.4751	0.048	15	109.4751	0.002	15	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[4]BC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[4]BC)(CH3)3	H(CCHH)	109.4769	0.027	7	109.4769	0.001	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[4]GaC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[4]GaC)(CH3)3	H(CCHH)	109.4769	0.026	8	109.4769	0.001	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]2B)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]2B)(CH3)3	H(CCHH)	109.4657	0.029	6	109.4657	0.001	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]2C)(CH3)3	H(CCHH)	109.4847	0.044	6	109.4847	0.002	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]2Fe)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]2Fe)(CH3)3	H(CCHH)	109.4787	0.033	7	109.4787	0.001	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]2O)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]2O)(CH3)3	H(CCHH)	109.3288	1.086	9	109.3288	1.180	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]2Zr)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]2Zr)(CH3)3	H(CCHH)	109.4413	0.045	6	109.4413	0.002	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]AuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]AuC)(CH3)3	H(CCHH)	109.4707	0.045	14	109.4707	0.002	14	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]BB)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]BB)(CH3)3	H(CCHH)	110.7918	1.651	18	110.7918	2.726	18	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]CC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]CC)(CH3)3	H(CCHH)	109.4674	0.041	45	109.4674	0.002	45	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]CH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]CH)(CH3)3	H(CCHH)	109.4950	0.044	10	109.4950	0.002	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]CN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]CN)(CH3)3	H(CCHH)	109.4733	0.054	38	109.4733	0.003	38	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]CO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]CO)(CH3)3	H(CCHH)	109.4757	0.048	15	109.4757	0.002	15	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]CS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]CS)(CH3)3	H(CCHH)	109.4771	0.046	37	109.4771	0.002	37	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]CuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]CuC)(CH3)3	H(CCHH)	109.4780	0.098	125	109.4780	0.010	125	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]HO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]HO)(CH3)3	H(CCHH)	109.4570	0.022	5	109.4570	0.001	5	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]Ni2)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]Ni2)(CH3)3	H(CCHH)	109.4595	0.048	13	109.4595	0.002	13	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]PdC)(CH3)3	H(CCHH)	109.4753	0.060	213	109.4753	0.004	213	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]PdO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]PdO)(CH3)3	H(CCHH)	109.4692	0.046	20	109.4692	0.002	20	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]PtC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]PtC)(CH3)3	H(CCHH)	109.4828	0.050	11	109.4828	0.003	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]RhC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]RhC)(CH3)3	H(CCHH)	109.4728	0.020	8	109.4728	0.000	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]RuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]RuC)(CH3)3	H(CCHH)	109.4696	0.035	42	109.4696	0.001	42	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]SeC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]SeC)(CH3)3	H(CCHH)	109.4850	0.044	37	109.4850	0.002	37	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]BC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]BC)(CH3)3	H(CCHH)	109.4721	0.040	16	109.4721	0.002	16	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]CC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]CC)(CH3)3	H(CCHH)	109.4541	0.052	27	109.4541	0.003	27	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]CO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]CO)(CH3)3	H(CCHH)	109.4512	0.029	10	109.4512	0.001	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]HO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]HO)(CH3)3	H(CCHH)	109.4774	0.031	16	109.4774	0.001	16	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]IrC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]IrC)(CH3)3	H(CCHH)	109.4679	0.032	11	109.4679	0.001	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]OO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]OO)(CH3)3	H(CCHH)	109.4692	0.020	5	109.4692	0.000	5	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]PdC)(CH3)3	H(CCHH)	109.4678	0.045	54	109.4678	0.002	54	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]PdO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]PdO)(CH3)3	H(CCHH)	109.4689	0.050	33	109.4689	0.002	33	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]PtC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]PtC)(CH3)3	H(CCHH)	109.4741	0.048	32	109.4741	0.002	32	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5a]PtO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5a]PtO)(CH3)3	H(CCHH)	109.4653	0.029	7	109.4653	0.001	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5x3,5x5,20x6]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5x3,5x5,20x6]PdC)(CH3)3	H(CCHH)	109.4713	0.043	21	109.4713	0.002	21	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6]CC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6]CC)(CH3)3	H(CCHH)	109.4601	0.051	53	109.4601	0.003	53	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6]CH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6]CH)(CH3)3	H(CCHH)	109.4677	0.045	9	109.4677	0.002	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6]CO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6]CO)(CH3)3	H(CCHH)	109.4475	0.045	8	109.4475	0.002	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6]HfC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6]HfC)(CH3)3	H(CCHH)	109.4814	0.040	9	109.4814	0.002	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6]OO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6]OO)(CH3)3	H(CCHH)	109.4636	0.043	10	109.4636	0.002	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6]PdC)(CH3)3	H(CCHH)	109.4720	0.059	18	109.4720	0.003	18	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6]ZrC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6]ZrC)(CH3)3	H(CCHH)	109.4735	0.027	8	109.4735	0.001	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2Al)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Al)(CH3)3	H(CCHH)	109.4728	0.029	4	109.4728	0.001	4	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2Co)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Co)(CH3)3	H(CCHH)	109.4670	0.004	2	109.4670	0.000	2	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2H)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2H)(CH3)3	H(CCHH)	109.4537	0.035	22	109.4537	0.001	22	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2Ni)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Ni)(CH3)3	H(CCHH)	109.4652	0.038	17	109.4652	0.001	17	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2O)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2O)(CH3)3	H(CCHH)	109.4766	0.036	14	109.4766	0.001	14	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2Pd)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Pd)(CH3)3	H(CCHH)	109.4700	0.031	22	109.4700	0.001	22	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2Ru)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2Ru)(CH3)3	H(CCHH)	109.4715	0.062	8	109.4715	0.004	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]2W)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]2W)(CH3)3	H(CCHH)	109.4707	0.025	6	109.4707	0.001	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]AgC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]AgC)(CH3)3	H(CCHH)	109.4781	0.039	44	109.4781	0.001	44	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]AuC)(CCHH)2(CH3)	H(CCHH)	C(CCCP)(H)3	C(PC[6a]AuC)(CCHH)2(CH3)	H(CCHH)	109.4718	0.022	4	109.4718	0.000	4	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]AuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]AuC)(CH3)3	H(CCHH)	109.4981	0.233	335	109.4981	0.054	335	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]BC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]BC)(CH3)3	H(CCHH)	109.4689	0.047	35	109.4689	0.002	35	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]BN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]BN)(CH3)3	H(CCHH)	109.4693	0.205	17	109.4693	0.042	17	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]BO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]BO)(CH3)3	H(CCHH)	109.4741	0.035	8	109.4741	0.001	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]CC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]CC)(CH3)3	H(CCHH)	109.4723	0.041	36	109.4723	0.002	36	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]CH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]CH)(CH3)3	H(CCHH)	109.4743	0.044	41	109.4743	0.002	41	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]CN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]CN)(CH3)3	H(CCHH)	109.4726	0.032	10	109.4726	0.001	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]CO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]CO)(CH3)3	H(CCHH)	109.5388	0.456	150	109.5388	0.208	150	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]C[5]Ni)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]C[5]Ni)(CH3)3	H(CCHH)	109.4815	0.041	15	109.4815	0.002	15	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]C[5]Pd)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]C[5]Pd)(CH3)3	H(CCHH)	109.4603	0.045	6	109.4603	0.002	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]C[6]O)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]C[6]O)(CH3)3	H(CCHH)	109.4817	0.032	7	109.4817	0.001	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]ClO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]ClO)(CH3)3	H(CCHH)	109.4597	0.023	6	109.4597	0.001	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]ClPd)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]ClPd)(CH3)3	H(CCHH)	109.4896	0.052	7	109.4896	0.003	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]ClS)(CCHH)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(PC[6a]ClS)(CCHH)(CH3)2	H(CCHH)	109.6973	3.941	6	109.6973	15.529	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]CoC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]CoC)(CH3)3	H(CCHH)	109.4659	0.045	30	109.4659	0.002	30	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]CrC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]CrC)(CH3)3	H(CCHH)	109.4948	0.056	12	109.4948	0.003	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]CuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]CuC)(CH3)3	H(CCHH)	109.4641	0.037	30	109.4641	0.001	30	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]IrC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]IrC)(CH3)3	H(CCHH)	109.4615	0.044	11	109.4615	0.002	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]IrO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]IrO)(CH3)3	H(CCHH)	109.4934	0.045	12	109.4934	0.002	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]NO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]NO)(CH3)3	H(CCHH)	109.4472	2.729	24	109.4472	7.448	24	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]NiC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]NiC)(CH3)3	H(CCHH)	109.4733	0.036	38	109.4733	0.001	38	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]NiO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]NiO)(CH3)3	H(CCHH)	109.4682	0.034	11	109.4682	0.001	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]OS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]OS)(CH3)3	H(CCHH)	109.4621	0.030	7	109.4621	0.001	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PS)(CCHH)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PS)(CCHH)(CH3)2	H(CCHH)	110.1522	3.861	6	110.1522	14.906	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PbC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PbC)(CH3)3	H(CCHH)	109.4666	0.049	14	109.4666	0.002	14	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PdC)(CH3)3	H(CCHH)	109.4748	0.050	254	109.4748	0.003	254	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PdO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PdO)(CH3)3	H(CCHH)	109.4708	0.063	142	109.4708	0.004	142	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PtC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PtC)(CH3)3	H(CCHH)	109.4748	0.055	187	109.4748	0.003	187	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PtC)(CPtHH)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PtC)(CPtHH)(CH3)2	H(CCHH)	109.4908	0.098	6	109.4908	0.010	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PtN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PtN)(CH3)3	H(CCHH)	109.4602	0.067	9	109.4602	0.004	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]PtO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]PtO)(CH3)3	H(CCHH)	109.4788	0.042	8	109.4788	0.002	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]ReC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]ReC)(CH3)3	H(CCHH)	109.4742	0.045	10	109.4742	0.002	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]RhC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]RhC)(CH3)3	H(CCHH)	109.4708	0.051	84	109.4708	0.003	84	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]RhN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]RhN)(CH3)3	H(CCHH)	109.4619	0.049	11	109.4619	0.002	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]RuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]RuC)(CH3)3	H(CCHH)	109.4706	0.030	27	109.4706	0.001	27	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]RuO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]RuO)(CH3)3	H(CCHH)	109.4786	0.043	16	109.4786	0.002	16	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]SS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]SS)(CH3)3	H(CCHH)	109.4850	0.017	7	109.4850	0.000	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]Se2)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]Se2)(CH3)3	H(CCHH)	109.8312	1.902	9	109.8312	3.617	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]SeS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]SeS)(CH3)3	H(CCHH)	111.0049	1.999	9	111.0049	3.998	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]SnC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]SnC)(CH3)3	H(CCHH)	109.4637	0.048	41	109.4637	0.002	41	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[6a]ZnC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[6a]ZnC)(CH3)3	H(CCHH)	109.4717	0.050	11	109.4717	0.002	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCl2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCl2C)(CH3)3	H(CCHH)	109.4798	0.050	6	109.4798	0.002	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCl2Ga)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCl2Ga)(CH3)3	H(CCHH)	109.4748	0.033	5	109.4748	0.001	5	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PClBC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PClBC)(CH3)3	H(CCHH)	108.1171	4.144	9	108.1171	17.171	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PClPdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PClPdC)(CH3)3	H(CCHH)	109.4536	0.041	11	109.4536	0.002	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PClRuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PClRuC)(CH3)3	H(CCHH)	109.4853	0.068	7	109.4853	0.005	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCoCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCoCC)(CH3)3	H(CCHH)	109.4718	0.049	430	109.4718	0.002	430	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCoCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCoCN)(CH3)3	H(CCHH)	109.4695	0.048	125	109.4695	0.002	125	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCoCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCoCO)(CH3)3	H(CCHH)	109.4557	0.050	19	109.4557	0.002	19	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCrCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCrCC)(CH3)3	H(CCHH)	109.4614	0.054	40	109.4614	0.003	40	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCrCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCrCN)(CH3)3	H(CCHH)	109.4737	0.011	3	109.4737	0.000	3	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCuCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCuCC)(CH3)3	H(CCHH)	109.5968	0.833	413	109.5968	0.693	413	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PFe2H)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PFe2H)(CH3)3	H(CCHH)	109.4624	0.046	8	109.4624	0.002	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PFeCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PFeCC)(CH3)3	H(CCHH)	109.5697	0.706	324	109.5697	0.499	324	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PFeCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PFeCN)(CH3)3	H(CCHH)	109.4789	0.029	25	109.4789	0.001	25	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PFeCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PFeCO)(CH3)3	H(CCHH)	109.4854	0.048	14	109.4854	0.002	14	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PFeHH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PFeHH)(CH3)3	H(CCHH)	109.4896	0.038	11	109.4896	0.001	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PHOO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PHOO)(CH3)3	H(CCHH)	109.4454	0.040	7	109.4454	0.002	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PHPW)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PHPW)(CH3)3	H(CCHH)	109.4474	0.045	5	109.4474	0.002	5	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PIrCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PIrCC)(CH3)3	H(CCHH)	109.5416	0.735	1727	109.5416	0.541	1727	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PIrCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PIrCN)(CH3)3	H(CCHH)	109.4789	0.044	37	109.4789	0.002	37	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PIrCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PIrCO)(CH3)3	H(CCHH)	109.4751	0.146	547	109.4751	0.021	547	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PLi2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PLi2C)(CH3)3	H(CCHH)	109.4905	0.182	17	109.4905	0.033	17	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PLiCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PLiCC)(CH3)3	H(CCHH)	109.4694	0.044	25	109.4694	0.002	25	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PLiCP)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PLiCP)(CH3)3	H(CCHH)	109.4720	0.022	6	109.4720	0.000	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PMnCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PMnCC)(CH3)3	H(CCHH)	109.4676	0.043	65	109.4676	0.002	65	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PMoCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PMoCC)(CH3)3	H(CCHH)	109.4800	0.813	510	109.4800	0.661	510	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PMoCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PMoCN)(CH3)3	H(CCHH)	109.4681	0.036	12	109.4681	0.001	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PMoCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PMoCO)(CH3)3	H(CCHH)	109.4684	0.036	12	109.4684	0.001	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PNNO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PNNO)(CH3)3	H(CCHH)	109.4694	0.055	68	109.4694	0.003	68	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5]2Se)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5]2Se)(CH3)3	H(CCHH)	111.6706	1.864	9	111.6706	3.476	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5]CO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5]CO)(CH3)3	H(CCHH)	109.4728	0.052	52	109.4728	0.003	52	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5]CrC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5]CrC)(CH3)3	H(CCHH)	109.4676	0.030	7	109.4676	0.001	7	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5]CuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5]CuC)(CH3)3	H(CCHH)	109.4663	0.036	15	109.4663	0.001	15	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5]RuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5]RuC)(CH3)3	H(CCHH)	109.4718	0.041	35	109.4718	0.002	35	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5a]CO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5a]CO)(CH3)3	H(CCHH)	109.4695	0.046	92	109.4695	0.002	92	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[5a]PdC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[5a]PdC)(CH3)3	H(CCHH)	109.4673	0.061	29	109.4673	0.004	29	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PN[6]CN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PN[6]CN)(CH3)3	H(CCHH)	109.4402	0.036	8	109.4402	0.001	8	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PNiCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PNiCC)(CH3)3	H(CCHH)	109.4804	0.141	913	109.4804	0.020	913	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PNiCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PNiCN)(CH3)3	H(CCHH)	109.4707	0.047	312	109.4707	0.002	312	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PNiCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PNiCO)(CH3)3	H(CCHH)	109.5084	0.626	328	109.5084	0.392	328	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(POs2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(POs2C)(CH3)3	H(CCHH)	109.4704	0.070	47	109.4704	0.005	47	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(POsCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(POsCC)(CH3)3	H(CCHH)	109.4680	0.056	127	109.4680	0.003	127	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(POsCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(POsCN)(CH3)3	H(CCHH)	109.4652	0.050	10	109.4652	0.003	10	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(POsPtC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(POsPtC)(CH3)3	H(CCHH)	109.4940	0.057	13	109.4940	0.003	13	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPd2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPd2C)(CH3)3	H(CCHH)	109.4745	0.045	18	109.4745	0.002	18	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPdCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPdCC)(CH3)3	H(CCHH)	109.5155	0.603	2161	109.5155	0.363	2161	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPdCH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPdCH)(CH3)3	H(CCHH)	109.4808	0.040	9	109.4808	0.002	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPdCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPdCN)(CH3)3	H(CCHH)	109.4707	0.053	57	109.4707	0.003	57	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPdCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPdCO)(CH3)3	H(CCHH)	109.4705	0.044	112	109.4705	0.002	112	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPt2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPt2C)(CH3)3	H(CCHH)	109.4617	0.109	159	109.4617	0.012	159	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPtBC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPtBC)(CH3)3	H(CCHH)	109.4751	0.034	9	109.4751	0.001	9	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPtCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPtCC)(CH3)3	H(CCHH)	109.4700	0.081	1804	109.4700	0.007	1804	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPtCH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPtCH)(CH3)3	H(CCHH)	109.4695	0.050	20	109.4695	0.003	20	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPtCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPtCN)(CH3)3	H(CCHH)	109.4762	0.046	11	109.4762	0.002	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPtCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPtCO)(CH3)3	H(CCHH)	109.4697	0.051	54	109.4697	0.003	54	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPtCP)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPtCP)(CH3)3	H(CCHH)	109.4732	0.059	31	109.4732	0.004	31	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPtRuC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPtRuC)(CH3)3	H(CCHH)	109.4682	0.043	33	109.4682	0.002	33	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRe2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRe2C)(CH3)3	H(CCHH)	109.4745	0.046	66	109.4745	0.002	66	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PReCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PReCC)(CH3)3	H(CCHH)	109.4671	0.068	317	109.4671	0.005	317	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PReCH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PReCH)(CH3)3	H(CCHH)	109.4662	0.063	17	109.4662	0.004	17	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PReCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PReCO)(CH3)3	H(CCHH)	109.4727	0.033	27	109.4727	0.001	27	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRhCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRhCC)(CH3)3	H(CCHH)	109.4747	0.406	835	109.4747	0.165	835	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRhCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRhCN)(CH3)3	H(CCHH)	109.4622	0.060	63	109.4622	0.004	63	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRhCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRhCO)(CH3)3	H(CCHH)	109.4620	0.070	106	109.4620	0.005	106	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRu2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRu2C)(CH3)3	H(CCHH)	109.9965	2.820	25	109.9965	7.955	25	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRuCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRuCC)(CH3)3	H(CCHH)	109.5137	0.675	890	109.5137	0.456	890	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRuCH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRuCH)(CH3)3	H(CCHH)	109.4845	0.044	22	109.4845	0.002	22	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRuCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRuCN)(CH3)3	H(CCHH)	109.4703	0.047	58	109.4703	0.002	58	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRuCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRuCO)(CH3)3	H(CCHH)	109.4718	0.030	22	109.4718	0.001	22	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRuHH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRuHH)(CH3)3	H(CCHH)	109.4460	0.097	12	109.4460	0.009	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSe2C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSe2C)(CH3)3	H(CCHH)	109.4746	0.075	61	109.4746	0.006	61	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSeCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSeCC)(CH3)3	H(CCHH)	109.4767	0.060	47	109.4767	0.004	47	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSeCH)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSeCH)(CH3)3	H(CCHH)	109.4821	0.043	11	109.4821	0.002	11	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSeCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSeCN)(CH3)3	H(CCHH)	109.4661	0.058	28	109.4661	0.003	28	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSiCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSiCC)(CH3)3	H(CCHH)	109.4685	0.045	13	109.4685	0.002	13	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSnCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSnCC)(CH3)3	H(CCHH)	109.4660	0.072	23	109.4660	0.005	23	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PTeCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PTeCN)(CH3)3	H(CCHH)	109.4766	0.056	17	109.4766	0.003	17	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PTiCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PTiCC)(CH3)3	H(CCHH)	109.4672	0.041	13	109.4672	0.002	13	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PTiPP)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PTiPP)(CH3)3	H(CCHH)	109.4670	0.038	6	109.4670	0.001	6	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PZnCC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PZnCC)(CH3)3	H(CCHH)	109.4715	0.037	44	109.4715	0.001	44	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PZrCP)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PZrCP)(CH3)3	H(CCHH)	109.4714	0.036	12	109.4714	0.001	12	109.5002	0.259	18350	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:Ge-4:C-4:C-4:	C-4:	C(CGeCP)(H)3	C(PC[6a]3)(GeBHH)(CH3)2	H(CCHH)	C(CGeCP)(H)3	C(PC[6a]3)(GeBHH)(CH3)2	H(CCHH)	109.4707	0.032	4	109.4707	0.001	4	109.4724	0.003	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:Ge-4:C-4:C-4:	C-4:	C(CGeCP)(H)3	C(PC[6a]3)(GeCl2W)(CH3)2	H(CCHH)	C(CGeCP)(H)3	C(PC[6a]3)(GeCl2W)(CH3)2	H(CCHH)	109.4740	0.074	4	109.4740	0.005	4	109.4724	0.003	8	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:C-4:	C-4:	C(CCPP)(H)3	C(PC[6a]2Cr)2(CH3)2	H(CCHH)	C(CCPP)(H)3	C(PC[6a]2Cr)2(CH3)2	H(CCHH)	109.4702	0.026	6	109.4702	0.001	6	109.4702	0.001	6	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-4:S-4:C-4:C-4:	C-4:	C(CCPS)(H)3	C(PC[6a]2S)(SC[6a]OO)(CH3)2	H(CCHH)	C(CCPS)(H)3	C(PC[6a]2S)(SC[6a]OO)(CH3)2	H(CCHH)	109.4778	0.026	5	109.4778	0.001	5	109.4778	0.001	5	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[3]-4:C-4:C-4:C-4:	C-4:	C(CP[3]CC)(H)3	C(P[3]C[3]2C)(CH3)3	H(CCHH)	C(CP[3]CC)(H)3	C(P[3]C[3]2C)(CH3)3	H(CCHH)	109.4861	0.035	7	109.4861	0.001	7	109.4720	0.001	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[3]-4:C-4:C-4:C-4:	C-4:	C(CP[3]CC)(H)3	C(P[3]C[3]2Fe)(CH3)3	H(CCHH)	C(CP[3]CC)(H)3	C(P[3]C[3]2Fe)(CH3)3	H(CCHH)	109.4693	0.022	6	109.4693	0.000	6	109.4720	0.001	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[3]-4:C-4:C-4:C-4:	C-4:	C(CP[3]CC)(H)3	C(P[3]C[3]O[3]Cr)(CH3)3	H(CCHH)	C(CP[3]CC)(H)3	C(P[3]C[3]O[3]Cr)(CH3)3	H(CCHH)	109.4668	0.042	10	109.4668	0.002	10	109.4720	0.001	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[3]-4:C-4:C-4:C-4:	C-4:	C(CP[3]CC)(H)3	C(P[3]C[3]O[3]W)(CH3)3	H(CCHH)	C(CP[3]CC)(H)3	C(P[3]C[3]O[3]W)(CH3)3	H(CCHH)	109.4725	0.036	11	109.4725	0.001	11	109.4720	0.001	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[3]-4:C-4:C-4:C-4:	C-4:	C(CP[3]CC)(H)3	C(P[3]C[3]P[3]C)(CH3)3	H(CCHH)	C(CP[3]CC)(H)3	C(P[3]C[3]P[3]C)(CH3)3	H(CCHH)	109.4646	0.020	5	109.4646	0.000	5	109.4720	0.001	39	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]B[4]2C)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]B[4]2C)(CH3)3	H(CCHH)	109.4730	0.031	7	109.4730	0.001	7	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4,6a]2B)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4,6a]2B)(CH3)3	H(CCHH)	109.4562	0.047	18	109.4562	0.002	18	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4,6a]P[4]Pd)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4,6a]P[4]Pd)(CH3)3	H(CCHH)	109.4790	0.031	9	109.4790	0.001	9	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4]2C)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4]2C)(CH3)3	H(CCHH)	109.4645	0.036	10	109.4645	0.001	10	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4]2W)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4]2W)(CH3)3	H(CCHH)	109.4722	0.057	13	109.4722	0.003	13	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4]N[4]C)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4]N[4]C)(CH3)3	H(CCHH)	109.4725	0.042	21	109.4725	0.002	21	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]C[4]P[4]C)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]C[4]P[4]C)(CH3)3	H(CCHH)	109.4736	0.019	5	109.4736	0.000	5	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]Ga[4]2C)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]Ga[4]2C)(CH3)3	H(CCHH)	109.4653	0.051	12	109.4653	0.003	12	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]Ga[4]2H)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]Ga[4]2H)(CH3)3	H(CCHH)	109.5123	0.261	9	109.5123	0.068	9	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]P[4]2C)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]P[4]2C)(CH3)3	H(CCHH)	109.4561	0.045	9	109.4561	0.002	9	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]P[4]2H)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]P[4]2H)(CH3)3	H(CCHH)	110.5760	2.151	9	110.5760	4.626	9	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:C-4:C-4:	C-4:	C(CP[4]CC)(H)3	C(P[4]S[4]2S)(CH3)3	H(CCHH)	C(CP[4]CC)(H)3	C(P[4]S[4]2S)(CH3)3	H(CCHH)	109.0408	1.794	5	109.0408	3.218	5	109.5323	0.493	127	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5,5]-4:C-4:C-4:C-4:	C-4:	C(CP[5,5]CC)(H)3	C(P[5,5]C[5,5,6]2S)(CH3)3	H(CCHH)	C(CP[5,5]CC)(H)3	C(P[5,5]C[5,5,6]2S)(CH3)3	H(CCHH)	109.4857	0.037	7	109.4857	0.001	7	109.4857	0.001	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]B[5]C[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]B[5]C[5]C)(CH3)3	H(CCHH)	109.4731	0.034	49	109.4731	0.001	49	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,5a]C[5,6a]O)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,5a]C[5,6a]O)(CH3)3	H(CCHH)	109.4486	0.042	7	109.4486	0.002	7	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6]C[5]Pd)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6]C[5]Pd)(CH3)3	H(CCHH)	109.4661	0.070	7	109.4661	0.005	7	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6]O[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6]O[5]C)(CH3)3	H(CCHH)	109.4483	0.095	13	109.4483	0.009	13	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]2C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]2C)(CH3)3	H(CCHH)	109.4694	0.042	18	109.4694	0.002	18	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]C)(CH3)3	H(CCHH)	109.4748	0.045	89	109.4748	0.002	89	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Cu)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Cu)(CH3)3	H(CCHH)	109.4827	0.051	30	109.4827	0.003	30	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]O)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]O)(CH3)3	H(CCHH)	109.4648	0.033	12	109.4648	0.001	12	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Pd)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Pd)(CH3)3	H(CCHH)	109.4320	0.077	7	109.4320	0.006	7	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Rh)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Rh)(CH3)3	H(CCHH)	109.4675	0.050	12	109.4675	0.002	12	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5,6a]O[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5,6a]O[5]C)(CH3)3	H(CCHH)	109.4772	0.036	42	109.4772	0.001	42	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]2B)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]2B)(CH3)3	H(CCHH)	110.4148	1.369	18	110.4148	1.874	18	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]2C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]2C)(CH3)3	H(CCHH)	109.4750	0.035	69	109.4750	0.001	69	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]2Fe)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]2Fe)(CH3)3	H(CCHH)	109.4641	0.028	7	109.4641	0.001	7	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]2Pd)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]2Pd)(CH3)3	H(CCHH)	109.4716	0.057	12	109.4716	0.003	12	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]2Rh)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]2Rh)(CH3)3	H(CCHH)	109.4675	0.059	29	109.4675	0.004	29	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]2Ru)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]2Ru)(CH3)3	H(CCHH)	109.4701	0.037	8	109.4701	0.001	8	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]N[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]N[5]C)(CH3)3	H(CCHH)	109.4726	0.040	37	109.4726	0.002	37	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]N[5]W)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]N[5]W)(CH3)3	H(CCHH)	109.4612	0.023	6	109.4612	0.001	6	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]O[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]O[5]C)(CH3)3	H(CCHH)	109.4835	0.046	25	109.4835	0.002	25	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[5]P[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[5]P[5]C)(CH3)3	H(CCHH)	109.4850	0.021	5	109.4850	0.000	5	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]C[6a]P[5]2)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]C[6a]P[5]2)(CH3)3	H(CCHH)	109.4652	0.031	6	109.4652	0.001	6	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]Ga[5]C[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]Ga[5]C[5]C)(CH3)3	H(CCHH)	109.4818	0.035	10	109.4818	0.001	10	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]N[5,6]O[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]N[5,6]O[5]C)(CH3)3	H(CCHH)	109.4607	0.076	13	109.4607	0.006	13	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]N[5]O[5]B)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]N[5]O[5]B)(CH3)3	H(CCHH)	109.4810	0.023	3	109.4810	0.001	3	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]N[5]O[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]N[5]O[5]C)(CH3)3	H(CCHH)	109.4941	0.038	12	109.4941	0.001	12	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]O[5]2B)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]O[5]2B)(CH3)3	H(CCHH)	109.4747	0.034	6	109.4747	0.001	6	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]O[5]2W)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]O[5]2W)(CH3)3	H(CCHH)	109.4866	0.041	7	109.4866	0.002	7	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]P[5]2C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]P[5]2C)(CH3)3	H(CCHH)	109.4881	0.039	7	109.4881	0.002	7	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]S[5]2S)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]S[5]2S)(CH3)3	H(CCHH)	109.4481	0.032	7	109.4481	0.001	7	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]Se[5]C[5]Se)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]Se[5]C[5]Se)(CH3)3	H(CCHH)	109.4527	0.023	8	109.4527	0.001	8	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:C-4:	C-4:	C(CP[5]CC)(H)3	C(P[5]Si[5]C[5]C)(CH3)3	H(CCHH)	C(CP[5]CC)(H)3	C(P[5]Si[5]C[5]C)(CH3)3	H(CCHH)	109.4697	0.060	12	109.4697	0.004	12	109.5011	0.082	593	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]B[5,6]C[6]C)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]B[5,6]C[6]C)(CH3)3	H(CCHH)	109.4633	0.042	9	109.4633	0.002	9	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]B[5a,6]O[6]C)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]B[5a,6]O[6]C)(CH3)3	H(CCHH)	109.4585	0.037	11	109.4585	0.001	11	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]B[6]C[6]C)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]B[6]C[6]C)(CH3)3	H(CCHH)	109.4648	0.040	12	109.4648	0.002	12	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6,6a]C[6]Pt)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6,6a]C[6]Pt)(CH3)3	H(CCHH)	109.4838	0.059	6	109.4838	0.003	6	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6,6a]N[5,6]C[6a])(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6,6a]N[5,6]C[6a])(CH3)3	H(CCHH)	109.4924	0.024	7	109.4924	0.001	7	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]2Ir)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]2Ir)(CH3)3	H(CCHH)	109.4781	0.051	35	109.4781	0.003	35	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]2Pt)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]2Pt)(CH3)3	H(CCHH)	109.4773	0.053	15	109.4773	0.003	15	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]2Rh)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]2Rh)(CH3)3	H(CCHH)	109.4983	0.035	6	109.4983	0.001	6	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]2W)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]2W)(CH3)3	H(CCHH)	109.4446	0.047	7	109.4446	0.002	7	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]N[6]C)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]N[6]C)(CH3)3	H(CCHH)	109.4861	0.064	10	109.4861	0.004	10	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]O[6]C)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]O[6]C)(CH3)3	H(CCHH)	109.4935	0.106	63	109.4935	0.011	63	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]P[6]S)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]P[6]S)(CH3)3	H(CCHH)	109.4629	0.157	14	109.4629	0.025	14	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]C[6]P[6]Se)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]C[6]P[6]Se)(CH3)3	H(CCHH)	109.4498	0.567	17	109.4498	0.321	17	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:C-4:C-4:	C-4:	C(CP[6]CC)(H)3	C(P[6]N[6]O[6]O)(CH3)3	H(CCHH)	C(CP[6]CC)(H)3	C(P[6]N[6]O[6]O)(CH3)3	H(CCHH)	109.4830	0.016	4	109.4830	0.000	4	109.4775	0.030	216	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCCO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SCCO)(CH3)3	H(CCHH)	109.8902	1.179	26	109.8902	1.390	26	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCOO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SCOO)(CH3)3	H(CCHH)	109.6857	1.530	15	109.6857	2.342	15	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]2O)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]2O)(CH3)3	H(CCHH)	109.4795	0.105	8	109.4795	0.011	8	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]NO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]NO)(CH3)3	H(CCHH)	109.4553	0.036	10	109.4553	0.001	10	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]OO)(CCHH)2(CH3)	H(CCHH)	C(CCCS)(H)3	C(SC[6a]OO)(CCHH)2(CH3)	H(CCHH)	110.9837	0.474	3	110.9837	0.225	3	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]OO)(CC[5]CH)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(SC[6a]OO)(CC[5]CH)(CH3)2	H(CCHH)	109.4774	0.031	5	109.4774	0.001	5	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]OO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]OO)(CH3)3	H(CCHH)	109.4710	0.036	14	109.4710	0.001	14	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SC[6a]RhO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SC[6a]RhO)(CH3)3	H(CCHH)	109.4773	0.053	15	109.4773	0.003	15	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SCu2C)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SCu2C)(CH3)3	H(CCHH)	109.4846	0.055	14	109.4846	0.003	14	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SIrCO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SIrCO)(CH3)3	H(CCHH)	109.4630	0.053	51	109.4630	0.003	51	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SNOO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SNOO)(CH3)3	H(CCHH)	109.5858	1.238	192	109.5858	1.533	192	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SN[3]OO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SN[3]OO)(CH3)3	H(CCHH)	109.4757	0.025	15	109.4757	0.001	15	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SN[4]OO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SN[4]OO)(CH3)3	H(CCHH)	109.4740	0.026	6	109.4740	0.001	6	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SN[5]OO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SN[5]OO)(CH3)3	H(CCHH)	109.8558	1.937	73	109.8558	3.754	73	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SN[6]OO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SN[6]OO)(CH3)3	H(CCHH)	109.4689	0.036	18	109.4689	0.001	18	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SNiOO)(CHHN)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(SNiOO)(CHHN)(CH3)2	H(CCHH)	109.4610	0.023	10	109.4610	0.001	10	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SRhCO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SRhCO)(CH3)3	H(CCHH)	109.4753	0.061	34	109.4753	0.004	34	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SRhNO)(CH3)3	H(CCHH)	C(CCCS)(H)3	C(SRhNO)(CH3)3	H(CCHH)	109.4787	0.070	35	109.4787	0.005	35	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(H)3	C(SRuOO)(CHHN)(CH3)2	H(CCHH)	C(CCCS)(H)3	C(SRuOO)(CHHN)(CH3)2	H(CCHH)	109.4882	0.048	4	109.4882	0.002	4	109.5970	1.186	548	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S[5]-4:C-4:C-4:C-4:	C-4:	C(CS[5]CC)(H)3	C(S[5]C[5,6a]N[5]O)(CH3)3	H(CCHH)	C(CS[5]CC)(H)3	C(S[5]C[5,6a]N[5]O)(CH3)3	H(CCHH)	109.4620	0.035	6	109.4620	0.001	6	109.4620	0.001	6	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	S[6]-4:C-4:C-4:C-4:	C-4:	C(CS[6]CC)(H)3	C(S[6]O[6]2C)(CH3)3	H(CCHH)	C(CS[6]CC)(H)3	C(S[6]O[6]2C)(CH3)3	H(CCHH)	109.4878	0.245	16	109.4878	0.060	16	109.4878	0.060	16	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Se-4:C-4:C-4:C-4:	C-4:	C(CSeCC)(H)3	C(SeCu2C)(CH3)3	H(CCHH)	C(CSeCC)(H)3	C(SeCu2C)(CH3)3	H(CCHH)	109.2532	0.493	36	109.2532	0.243	36	109.2532	0.243	36	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiAlCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiAlCC)(CH3)3	H(CCHH)	109.4775	0.052	42	109.4775	0.003	42	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiBr2Si)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiBr2Si)(CH3)3	H(CCHH)	109.4865	0.023	6	109.4865	0.001	6	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC3)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC3)(CH3)3	H(CCHH)	109.5313	0.557	318	109.5313	0.310	318	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCN)(CCCH)(CH3)2	H(CCHH)	C(CSiCC)(H)3	C(SiCCN)(CCCH)(CH3)2	H(CCHH)	109.4846	0.038	5	109.4846	0.001	5	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCN)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCCN)(CH3)3	H(CCHH)	109.4720	0.034	46	109.4720	0.001	46	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCO)(CCCH)(CH3)2	H(CCHH)	C(CSiCC)(H)3	C(SiCCO)(CCCH)(CH3)2	H(CCHH)	109.4647	0.027	8	109.4647	0.001	8	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCCO)(CH3)3	H(CCHH)	109.6325	0.984	3741	109.6325	0.968	3741	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCP)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCCP)(CH3)3	H(CCHH)	109.4216	0.497	56	109.4216	0.247	56	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCS)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCCS)(CH3)3	H(CCHH)	109.4753	0.285	42	109.4753	0.081	42	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCNO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCNO)(CH3)3	H(CCHH)	109.9362	1.699	17	109.9362	2.888	17	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCOO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCOO)(CH3)3	H(CCHH)	110.2566	1.563	206	110.2566	2.444	206	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[3,5]C[6a]H)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[3,5]C[6a]H)(CH3)3	H(CCHH)	109.4724	0.037	13	109.4724	0.001	13	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[3]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[3]CC)(CH3)3	H(CCHH)	109.4668	0.156	33	109.4668	0.024	33	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[3x3,4,3x5,14x6]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[3x3,4,3x5,14x6]CC)(CH3)3	H(CCHH)	109.4651	0.160	9	109.4651	0.026	9	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[5,5,6]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[5,5,6]CC)(CH3)3	H(CCHH)	109.4759	0.035	12	109.4759	0.001	12	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[5]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[5]CC)(CH3)3	H(CCHH)	109.4713	0.045	121	109.4713	0.002	121	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[5]C[6]C)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[5]C[6]C)(CH3)3	H(CCHH)	109.4548	0.040	12	109.4548	0.002	12	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[5a]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[5a]CC)(CH3)3	H(CCHH)	109.4754	0.045	106	109.4754	0.002	106	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[5x3,5x5,20x6]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[5x3,5x5,20x6]CC)(CH3)3	H(CCHH)	109.4689	0.028	7	109.4689	0.001	7	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6]CO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6]CO)(CH3)3	H(CCHH)	111.2643	1.737	18	111.2643	3.018	18	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2C)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2C)(CH3)3	H(CCHH)	109.4731	0.045	130	109.4731	0.002	130	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2C[5])(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2C[5])(CH3)3	H(CCHH)	110.1031	1.703	38	110.1031	2.901	38	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2F)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2F)(CH3)3	H(CCHH)	109.4740	0.034	8	109.4740	0.001	8	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2In)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2In)(CH3)3	H(CCHH)	109.4799	0.051	14	109.4799	0.003	14	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2N[4])(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2N[4])(CH3)3	H(CCHH)	109.4639	0.038	8	109.4639	0.001	8	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2O)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2O)(CH3)3	H(CCHH)	109.5772	0.670	756	109.5772	0.449	756	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2P)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2P)(CH3)3	H(CCHH)	109.4811	0.047	30	109.4811	0.002	30	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2P[4])(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2P[4])(CH3)3	H(CCHH)	109.4684	0.062	32	109.4684	0.004	32	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]2Si)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]2Si)(CH3)3	H(CCHH)	109.4570	0.016	5	109.4570	0.000	5	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]3)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]3)(CH3)3	H(CCHH)	109.4548	0.038	18	109.4548	0.001	18	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]AsC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]AsC)(CH3)3	H(CCHH)	109.4880	0.065	21	109.4880	0.004	21	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]CC)(CH3)3	H(CCHH)	109.4609	0.052	39	109.4609	0.003	39	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]CO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]CO)(CH3)3	H(CCHH)	109.4670	0.034	14	109.4670	0.001	14	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]CP)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]CP)(CH3)3	H(CCHH)	109.4789	0.047	10	109.4789	0.002	10	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiC[6a]OO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiC[6a]OO)(CH3)3	H(CCHH)	109.4923	0.031	11	109.4923	0.001	11	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCl2Si)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCl2Si)(CH3)3	H(CCHH)	109.4666	0.023	7	109.4666	0.001	7	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiClSiC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiClSiC)(CH3)3	H(CCHH)	109.4493	0.030	8	109.4493	0.001	8	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiFeSiC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiFeSiC)(CH3)3	H(CCHH)	109.4739	0.033	9	109.4739	0.001	9	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGeCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGeCC)(CH3)3	H(CCHH)	109.7518	1.626	123	109.7518	2.644	123	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGe[3,3,4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGe[3,3,4]CC)(CH3)3	H(CCHH)	109.4740	0.042	13	109.4740	0.002	13	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGe[3,4,4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGe[3,4,4]CC)(CH3)3	H(CCHH)	109.4773	0.047	13	109.4773	0.002	13	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGe[3,4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGe[3,4]CC)(CH3)3	H(CCHH)	109.4825	0.101	37	109.4825	0.010	37	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGe[3,6]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGe[3,6]CC)(CH3)3	H(CCHH)	109.4723	0.069	63	109.4723	0.005	63	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGe[3]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGe[3]CC)(CH3)3	H(CCHH)	109.4690	0.395	185	109.4690	0.156	185	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGe[4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGe[4]CC)(CH3)3	H(CCHH)	109.4657	0.057	23	109.4657	0.003	23	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiGe[5]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiGe[5]CC)(CH3)3	H(CCHH)	109.4538	0.111	14	109.4538	0.012	14	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiIr2C)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiIr2C)(CH3)3	H(CCHH)	109.4587	0.040	10	109.4587	0.002	10	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiIrCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiIrCC)(CH3)3	H(CCHH)	109.4651	0.054	26	109.4651	0.003	26	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiIrCO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiIrCO)(CH3)3	H(CCHH)	109.4723	0.038	9	109.4723	0.001	9	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiN[3]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiN[3]CC)(CH3)3	H(CCHH)	109.4744	0.032	9	109.4744	0.001	9	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiN[4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiN[4]CC)(CH3)3	H(CCHH)	109.4700	0.000	1	109.4700	0.000	1	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiN[5]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiN[5]CC)(CH3)3	H(CCHH)	109.4304	0.103	8	109.4304	0.011	8	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiN[5]OO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiN[5]OO)(CH3)3	H(CCHH)	109.4619	0.058	8	109.4619	0.003	8	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiN[5a]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiN[5a]CC)(CH3)3	H(CCHH)	109.4392	0.089	17	109.4392	0.008	17	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiO3)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiO3)(CH3)3	H(CCHH)	109.4672	0.080	39	109.4672	0.006	39	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiP[4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiP[4]CC)(CH3)3	H(CCHH)	109.4649	0.061	16	109.4649	0.004	16	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiRhCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiRhCC)(CH3)3	H(CCHH)	109.4851	0.035	9	109.4851	0.001	9	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSiCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSiCC)(CH3)3	H(CCHH)	109.6106	0.770	456	109.6106	0.594	456	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSiFO)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSiFO)(CH3)3	H(CCHH)	109.4788	0.041	11	109.4788	0.002	11	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSiII)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSiII)(CH3)3	H(CCHH)	109.4670	0.031	6	109.4670	0.001	6	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[3,3]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[3,3]CC)(CH3)3	H(CCHH)	109.4724	0.077	83	109.4724	0.006	83	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[3]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[3]CC)(CH3)3	H(CCHH)	109.4757	0.074	155	109.4757	0.005	155	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[3a]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[3a]CC)(CH3)3	H(CCHH)	109.4763	0.038	25	109.4763	0.001	25	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[4,4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[4,4]CC)(CH3)3	H(CCHH)	109.4729	0.074	24	109.4729	0.005	24	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[4,5]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[4,5]CC)(CH3)3	H(CCHH)	109.4760	0.011	4	109.4760	0.000	4	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[4]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[4]CC)(CH3)3	H(CCHH)	109.4787	0.423	154	109.4787	0.179	154	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[5]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[5]CC)(CH3)3	H(CCHH)	109.4734	0.054	55	109.4734	0.003	55	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSi[6]CC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSi[6]CC)(CH3)3	H(CCHH)	109.4730	0.043	58	109.4730	0.002	58	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiSnCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiSnCC)(CH3)3	H(CCHH)	109.4798	0.061	37	109.4798	0.004	37	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiTeCC)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiTeCC)(CH3)3	H(CCHH)	109.4756	0.055	7	109.4756	0.003	7	109.6049	0.733	7674	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-4:Si-4:Si-4:C-4:	C-4:	C(CSi3)(H)3	C(SiCCP)3(CH3)	H(CCHH)	C(CSi3)(H)3	C(SiCCP)3(CH3)	H(CCHH)	109.4812	0.025	5	109.4812	0.001	5	109.4812	0.001	5	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3,4,4]-4:C-4:C-4:C-4:	C-4:	C(CSi[3,4,4]CC)(H)3	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	H(CCHH)	C(CSi[3,4,4]CC)(H)3	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	H(CCHH)	109.4809	0.044	7	109.4809	0.002	7	109.4809	0.002	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3,4,5,5]-4:C-4:C-4:C-4:	C-4:	C(CSi[3,4,5,5]CC)(H)3	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	H(CCHH)	C(CSi[3,4,5,5]CC)(H)3	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	H(CCHH)	109.4799	0.042	11	109.4799	0.002	11	109.4799	0.002	11	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C-4:	C(CSi[3]CC)(H)3	C(Si[3]C[3]2C)(CH3)3	H(CCHH)	C(CSi[3]CC)(H)3	C(Si[3]C[3]2C)(CH3)3	H(CCHH)	109.4762	0.033	8	109.4762	0.001	8	109.4805	0.003	30	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3]-4:C-4:C-4:C-4:	C-4:	C(CSi[3]CC)(H)3	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	H(CCHH)	C(CSi[3]CC)(H)3	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	H(CCHH)	109.4820	0.056	22	109.4820	0.003	22	109.4805	0.003	30	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3x4,5]-4:C-4:C-4:C-4:	C-4:	C(CSi[3x4,5]CC)(H)3	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	H(CCHH)	C(CSi[3x4,5]CC)(H)3	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	H(CCHH)	109.5126	0.045	7	109.5126	0.002	7	109.5126	0.002	7	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4,4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4,4]CC)(H)3	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	H(CCHH)	C(CSi[4,4]CC)(H)3	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	H(CCHH)	109.4707	0.040	10	109.4707	0.002	10	109.4707	0.002	10	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4]CC)(H)3	C(Si[4]C[4,6]Si[4]C)(CH3)3	H(CCHH)	C(CSi[4]CC)(H)3	C(Si[4]C[4,6]Si[4]C)(CH3)3	H(CCHH)	109.4652	0.036	12	109.4652	0.001	12	109.4685	0.001	46	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4]CC)(H)3	C(Si[4]C[6a]N[4]2)(CH3)3	H(CCHH)	C(CSi[4]CC)(H)3	C(Si[4]C[6a]N[4]2)(CH3)3	H(CCHH)	109.4597	0.039	6	109.4597	0.001	6	109.4685	0.001	46	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4]CC)(H)3	C(Si[4]N[4,6]C[4]C)(CH3)3	H(CCHH)	C(CSi[4]CC)(H)3	C(Si[4]N[4,6]C[4]C)(CH3)3	H(CCHH)	109.4800	0.025	5	109.4800	0.001	5	109.4685	0.001	46	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4]CC)(H)3	C(Si[4]O[4]2N)(CH3)3	H(CCHH)	C(CSi[4]CC)(H)3	C(Si[4]O[4]2N)(CH3)3	H(CCHH)	109.4780	0.023	6	109.4780	0.001	6	109.4685	0.001	46	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4]CC)(H)3	C(Si[4]Si[4]2C)(CH3)3	H(CCHH)	C(CSi[4]CC)(H)3	C(Si[4]Si[4]2C)(CH3)3	H(CCHH)	109.4669	0.034	10	109.4669	0.001	10	109.4685	0.001	46	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4]CC)(H)3	C(Si[4]Si[4]C[4]C)(CH3)3	H(CCHH)	C(CSi[4]CC)(H)3	C(Si[4]Si[4]C[4]C)(CH3)3	H(CCHH)	109.4674	0.032	7	109.4674	0.001	7	109.4685	0.001	46	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[4x4]-4:C-4:C-4:C-4:	C-4:	C(CSi[4x4]CC)(H)3	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	H(CCHH)	C(CSi[4x4]CC)(H)3	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	H(CCHH)	109.4738	0.034	9	109.4738	0.001	9	109.4738	0.001	9	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]2C)(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]2C)(CH3)3	H(CCHH)	109.4733	0.036	7	109.4733	0.001	7	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]2C[6a])(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]2C[6a])(CH3)3	H(CCHH)	109.3873	4.530	47	109.3873	20.517	47	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]C[5]O)(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]C[5]O)(CH3)3	H(CCHH)	109.4728	0.033	13	109.4728	0.001	13	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]C[6a]C[5])(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]C[6a]C[5])(CH3)3	H(CCHH)	109.4725	0.060	10	109.4725	0.004	10	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]C[5]O[5]C)(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]C[5]O[5]C)(CH3)3	H(CCHH)	110.6743	1.487	72	110.6743	2.212	72	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]N[5,5]N[5,6]C)(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]N[5,5]N[5,6]C)(CH3)3	H(CCHH)	109.4555	0.051	11	109.4555	0.003	11	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]N[5]O[5]C)(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]N[5]O[5]C)(CH3)3	H(CCHH)	109.6628	2.099	18	109.6628	4.404	18	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-4:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]Si[3,5]Si[5]C)(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]Si[3,5]Si[5]C)(CH3)3	H(CCHH)	109.4802	0.048	13	109.4802	0.002	13	109.9221	6.538	191	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(CSi[6]CC)(H)3	C(Si[6]C[6,6a]C[6a]O[6])(CH3)3	H(CCHH)	C(CSi[6]CC)(H)3	C(Si[6]C[6,6a]C[6a]O[6])(CH3)3	H(CCHH)	109.4820	0.044	5	109.4820	0.002	5	109.4465	1.494	190	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(CSi[6]CC)(H)3	C(Si[6]C[6]2C)(CH3)3	H(CCHH)	C(CSi[6]CC)(H)3	C(Si[6]C[6]2C)(CH3)3	H(CCHH)	109.4670	0.026	6	109.4670	0.001	6	109.4465	1.494	190	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(CSi[6]CC)(H)3	C(Si[6]N[3,6]O[6]C)(CH3)3	H(CCHH)	C(CSi[6]CC)(H)3	C(Si[6]N[3,6]O[6]C)(CH3)3	H(CCHH)	109.2089	3.920	18	109.2089	15.363	18	109.4465	1.494	190	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(CSi[6]CC)(H)3	C(Si[6]O[6]2C)(CH3)3	H(CCHH)	C(CSi[6]CC)(H)3	C(Si[6]O[6]2C)(CH3)3	H(CCHH)	109.4740	0.416	116	109.4740	0.173	116	109.4465	1.494	190	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(CSi[6]CC)(H)3	C(Si[6]O[6]2O)(CH3)3	H(CCHH)	C(CSi[6]CC)(H)3	C(Si[6]O[6]2O)(CH3)3	H(CCHH)	109.4725	0.055	20	109.4725	0.003	20	109.4465	1.494	190	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(CSi[6]CC)(H)3	C(Si[6]Si[3,6]Si[6]C)(CH3)3	H(CCHH)	C(CSi[6]CC)(H)3	C(Si[6]Si[3,6]Si[6]C)(CH3)3	H(CCHH)	109.4515	0.045	13	109.4515	0.002	13	109.4465	1.494	190	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:C-4:C-4:	C-4:	C(CSi[6]CC)(H)3	C(Si[6]Si[6]2C)(CH3)3	H(CCHH)	C(CSi[6]CC)(H)3	C(Si[6]Si[6]2C)(CH3)3	H(CCHH)	109.4633	0.036	12	109.4633	0.001	12	109.4465	1.494	190	109.5472	0.576	49063	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:5:4:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-5:C-4:H-1:	C-4:	C(CCHN)(H)3	C(NLiMgC)(CLiH3)(CH3)(H)	H(CCHH)	C(CCHN)(H)3	C(NLiMgC)(CLiH3)(CH3)(H)	H(CCHH)	109.4760	0.037	3	109.4760	0.001	3	109.4760	0.001	3	109.4760	0.001	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:5:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-5:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]2Th)(CThH3)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]2Th)(CThH3)(CH3)2	H(CCHH)	109.5030	0.040	4	109.5030	0.002	4	109.4910	0.001	8	109.4764	0.001	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:5:4:4:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C-5:C-4:C-4:	C-4:	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Tm)(CTmH3)(CH3)2	H(CCHH)	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Tm)(CTmH3)(CH3)2	H(CCHH)	109.4790	0.033	4	109.4790	0.001	4	109.4910	0.001	8	109.4764	0.001	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	4:5:4:4:	4:	C-4:H-1:H-1:H-1:	N-4:C-5:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLi2Si)(CLiH3)(CH3)2	H(CCHH)	C(CCCN)(H)3	C(NLi2Si)(CLiH3)(CH3)2	H(CCHH)	109.4619	0.037	8	109.4619	0.001	8	109.4619	0.001	8	109.4764	0.001	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:3:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-3:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	H(CCHH)	109.4662	0.020	5	109.4662	0.000	5	109.4662	0.000	5	109.4616	0.001	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:3:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:N-3:C-4:P-4:	C-4:	C(CNPP)(H)3	C(PPdO3)(NPdH)(CH3)(PO3)	H(CCHH)	C(CNPP)(H)3	C(PPdO3)(NPdH)(CH3)(PO3)	H(CCHH)	109.4540	0.033	3	109.4540	0.001	3	109.4540	0.001	3	109.4616	0.001	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-5:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BLaCCH)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BLaCCH)(CH3)(H)2	H(CCHH)	112.0383	2.941	3	112.0383	8.651	3	110.7543	5.439	6	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	B-5:C-4:H-1:H-1:	C-4:	C(CBHH)(H)3	C(BZrCCH)(CH3)(H)2	H(CCHH)	C(CBHH)(H)3	C(BZrCCH)(CH3)(H)2	H(CCHH)	109.4703	0.007	3	109.4703	0.000	3	110.7543	5.439	6	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CLi2CC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CLi2CC)(CH3)(H)2	H(CCHH)	109.4550	0.062	7	109.4550	0.004	7	109.4752	0.003	33	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CLi2PdC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CLi2PdC)(CH3)(H)2	H(CCHH)	109.4807	0.050	7	109.4807	0.002	7	109.4752	0.003	33	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CLi2SiH)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CLi2SiH)(CH3)(H)2	H(CCHH)	109.4820	0.058	3	109.4820	0.003	3	109.4752	0.003	33	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(H)3	C(CTa2CC)(CH3)(H)2	H(CCHH)	C(CCHH)(H)3	C(CTa2CC)(CH3)(H)2	H(CCHH)	109.4804	0.049	16	109.4804	0.002	16	109.4752	0.003	33	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,3,5]-5:C-4:H-1:H-1:	C-4:	C(CC[3,3,5]HH)(H)3	C(C[3,3,5]B[3,3,5]C[3,3,5]B[5x3]Co)(CH3)(H)2	H(CCHH)	C(CC[3,3,5]HH)(H)3	C(C[3,3,5]B[3,3,5]C[3,3,5]B[5x3]Co)(CH3)(H)2	H(CCHH)	111.2278	3.080	12	111.2278	9.486	12	111.2278	9.486	12	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3]-5:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(H)3	C(C[3]C[3,3]2HH)(CH3)(H)2	H(CCHH)	C(CC[3]HH)(H)3	C(C[3]C[3,3]2HH)(CH3)(H)2	H(CCHH)	109.4443	0.056	3	109.4443	0.003	3	109.4443	0.003	3	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-5:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)3	C(C[5]C[5]2PdH)(CH3)(H)2	H(CCHH)	C(CC[5]HH)(H)3	C(C[5]C[5]2PdH)(CH3)(H)2	H(CCHH)	109.4723	0.074	3	109.4723	0.005	3	109.4723	0.005	3	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge-5:C-4:H-1:H-1:	C-4:	C(CGeHH)(H)3	C(GeMo2CH)(CH3)(H)2	H(CCHH)	C(CGeHH)(H)3	C(GeMo2CH)(CH3)(H)2	H(CCHH)	109.4807	0.032	3	109.4807	0.001	3	109.4807	0.001	3	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	Ge[3,4,4,3x5,4x6]-5:C-4:H-1:H-1:	C-4:	C(CGe[3,4,4,3x5,4x6]HH)(H)3	C(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(CH3)(H)2	H(CCHH)	C(CGe[3,4,4,3x5,4x6]HH)(H)3	C(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(CH3)(H)2	H(CCHH)	109.4414	0.095	5	109.4414	0.009	5	109.4414	0.009	5	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-5:C-4:H-1:H-1:	C-4:	C(CHHN)(H)3	C(NLi3C)(CH3)(H)2	H(CCHH)	C(CHHN)(H)3	C(NLi3C)(CH3)(H)2	H(CCHH)	109.4747	0.028	9	109.4747	0.001	9	109.4747	0.001	9	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]FeZrC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]FeZrC)(CH3)(H)2	H(CCHH)	109.4991	0.515	20	109.4991	0.265	20	109.4866	0.323	131	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]HfRuC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]HfRuC)(CH3)(H)2	H(CCHH)	109.4787	0.050	17	109.4787	0.002	17	109.4866	0.323	131	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]MoZrC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]MoZrC)(CH3)(H)2	H(CCHH)	109.4911	0.987	33	109.4911	0.975	33	109.4866	0.323	131	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]RuZrC)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]RuZrC)(CH3)(H)2	H(CCHH)	109.4843	0.059	36	109.4843	0.003	36	109.4866	0.323	131	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PC[5]ZrCW)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PC[5]ZrCW)(CH3)(H)2	H(CCHH)	109.4996	0.713	12	109.4996	0.509	12	109.4866	0.323	131	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PRuCNN)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PRuCNN)(CH3)(H)2	H(CCHH)	109.4530	0.039	5	109.4530	0.002	5	109.4866	0.323	131	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(H)3	C(PZrCCO)(CH3)(H)2	H(CCHH)	C(CHHP)(H)3	C(PZrCCO)(CH3)(H)2	H(CCHH)	109.4649	0.054	8	109.4649	0.003	8	109.4866	0.323	131	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiCCOU)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiCCOU)(CH3)(H)2	H(CCHH)	109.4629	0.064	8	109.4629	0.004	8	109.4732	0.003	18	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiC[5]2ZrC)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiC[5]2ZrC)(CH3)(H)2	H(CCHH)	109.4824	0.035	5	109.4824	0.001	5	109.4732	0.003	18	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:1:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:	C(CSiHH)(H)3	C(SiNi2CH)(CH3)(H)2	H(CCHH)	C(CSiHH)(H)3	C(SiNi2CH)(CH3)(H)2	H(CCHH)	109.4806	0.055	5	109.4806	0.003	5	109.4732	0.003	18	109.6093	0.975	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:3:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-3:H-1:	C-4:	C(CCHP)(H)3	C(PPdCNS)(CH3)(CHH)(H)	H(CCHH)	C(CCHP)(H)3	C(PPdCNS)(CH3)(CHH)(H)	H(CCHH)	112.2935	4.725	6	112.2935	22.325	6	112.2935	22.325	6	112.2935	22.325	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CAlHHY)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CAlHHY)(CH3)2(H)	H(CCHH)	109.4776	0.054	5	109.4776	0.003	5	109.4732	0.002	38	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CAlLiHH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CAlLiHH)(CH3)2(H)	H(CCHH)	109.4724	0.030	23	109.4724	0.001	23	109.4732	0.002	38	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CTiCCH)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CTiCCH)(CH3)2(H)	H(CCHH)	109.4806	0.044	5	109.4806	0.002	5	109.4732	0.002	38	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:H-1:	C-4:	C(CCCH)(H)3	C(CZrCHN)(CH3)2(H)	H(CCHH)	C(CCCH)(H)3	C(CZrCHN)(CH3)2(H)	H(CCHH)	109.4646	0.075	5	109.4646	0.006	5	109.4732	0.002	38	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	H(CCHH)	C(CC[3x3,4,3x5,14x6]CH)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	H(CCHH)	109.4671	0.038	10	109.4671	0.001	10	109.4671	0.001	10	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5,6]-5:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[6]N[5]Al)(CH3)2(H)	H(CCHH)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[6]N[5]Al)(CH3)2(H)	H(CCHH)	109.4890	0.006	2	109.4890	0.000	2	109.4890	0.000	2	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCCOV)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCCOV)(CH3)2(H)	H(CCHH)	109.4693	0.027	6	109.4693	0.001	6	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]IrCS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]IrCS)(CH3)2(H)	H(CCHH)	109.4561	0.044	8	109.4561	0.002	8	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]RhCS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]RhCS)(CH3)2(H)	H(CCHH)	109.4629	0.035	14	109.4629	0.001	14	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]SeZrC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]SeZrC)(CH3)2(H)	H(CCHH)	109.4819	0.038	11	109.4819	0.001	11	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[5]ZrCW)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PC[5]ZrCW)(CH3)2(H)	H(CCHH)	109.4787	0.083	11	109.4787	0.007	11	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PC[6a]2RuO)(CRuCC)(CH3)(H)	H(CCHH)	C(CCHP)(H)3	C(PC[6a]2RuO)(CRuCC)(CH3)(H)	H(CCHH)	109.4645	0.030	2	109.4645	0.001	2	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCeCNO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCeCNO)(CH3)2(H)	H(CCHH)	109.4730	0.048	34	109.4730	0.002	34	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCo2CN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCo2CN)(CH3)2(H)	H(CCHH)	110.3911	1.347	48	110.3911	1.815	48	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCoCCU)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCoCCU)(CH3)2(H)	H(CCHH)	109.4511	0.068	10	109.4511	0.005	10	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCoCNV)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCoCNV)(CH3)2(H)	H(CCHH)	110.6405	1.556	35	110.6405	2.420	35	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCoThCC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCoThCC)(CH3)2(H)	H(CCHH)	109.4970	0.048	10	109.4970	0.002	10	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCoTiCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCoTiCN)(CH3)2(H)	H(CCHH)	110.2238	1.144	44	110.2238	1.309	44	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCoZrCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCoZrCN)(CH3)2(H)	H(CCHH)	110.4660	1.399	106	110.4660	1.956	106	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCrIrCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCrIrCN)(CH3)2(H)	H(CCHH)	110.2795	0.750	24	110.2795	0.563	24	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCrRhCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCrRhCN)(CH3)2(H)	H(CCHH)	110.4248	0.857	22	110.4248	0.734	22	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PCuTiCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PCuTiCN)(CH3)2(H)	H(CCHH)	109.7399	1.395	24	109.7399	1.946	24	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PFe2CN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PFe2CN)(CH3)2(H)	H(CCHH)	110.3466	1.260	57	110.3466	1.587	57	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PFeCNN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PFeCNN)(CH3)2(H)	H(CCHH)	111.0314	1.571	23	111.0314	2.469	23	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PNi2CC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PNi2CC)(CH3)2(H)	H(CCHH)	109.4135	0.191	10	109.4135	0.036	10	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PNiCNV)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PNiCNV)(CH3)2(H)	H(CCHH)	109.9233	0.966	24	109.9233	0.932	24	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPbCCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPbCCN)(CH3)2(H)	H(CCHH)	109.4960	0.098	32	109.4960	0.010	32	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPdCNS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPdCNS)(CH3)2(H)	H(CCHH)	110.0750	3.295	6	110.0750	10.858	6	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PPdCNU)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PPdCNU)(CH3)2(H)	H(CCHH)	109.4628	0.058	28	109.4628	0.003	28	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRuCCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRuCCN)(CH3)2(H)	H(CCHH)	109.4887	0.052	9	109.4887	0.003	9	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PRuCNO)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PRuCNO)(CH3)2(H)	H(CCHH)	109.4541	0.060	8	109.4541	0.004	8	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSe2CU)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSe2CU)(CH3)2(H)	H(CCHH)	109.4775	0.060	40	109.4775	0.004	40	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSe2ThC)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSe2ThC)(CH3)2(H)	H(CCHH)	109.4695	0.051	18	109.4695	0.003	18	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PSnCCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PSnCCN)(CH3)2(H)	H(CCHH)	109.4563	0.053	34	109.4563	0.003	34	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PThCSS)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PThCSS)(CH3)2(H)	H(CCHH)	109.4728	0.042	15	109.4728	0.002	15	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PTiCNP)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PTiCNP)(CH3)2(H)	H(CCHH)	109.4723	0.005	4	109.4723	0.000	4	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:H-1:	C-4:	C(CCHP)(H)3	C(PZnCCN)(CH3)2(H)	H(CCHH)	C(CCHP)(H)3	C(PZnCCN)(CH3)2(H)	H(CCHH)	109.4547	0.053	20	109.4547	0.003	20	109.9735	1.222	737	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiMgCCN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiMgCCN)(CH3)2(H)	H(CCHH)	109.4752	0.036	32	109.4752	0.001	32	109.4656	0.003	107	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiSnCNN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiSnCNN)(CH3)2(H)	H(CCHH)	109.4794	0.030	14	109.4794	0.001	14	109.4656	0.003	107	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiThCCN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiThCCN)(CH3)2(H)	H(CCHH)	109.4517	0.067	41	109.4517	0.004	41	109.4656	0.003	107	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiTmCCN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiTmCCN)(CH3)2(H)	H(CCHH)	109.4700	0.006	3	109.4700	0.000	3	109.4656	0.003	107	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiYbCCN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiYbCCN)(CH3)2(H)	H(CCHH)	109.4795	0.029	11	109.4795	0.001	11	109.4656	0.003	107	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:1:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:H-1:	C-4:	C(CSiCH)(H)3	C(SiZrCNN)(CH3)2(H)	H(CCHH)	C(CSiCH)(H)3	C(SiZrCNN)(CH3)2(H)	H(CCHH)	109.4493	0.062	6	109.4493	0.004	6	109.4656	0.003	107	109.8847	1.044	894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:3:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:O-3:	C-4:	C(CCOP)(H)3	C(PCCOV)(CH3)2(OVV)	H(CCHH)	C(CCOP)(H)3	C(PCCOV)(CH3)2(OVV)	H(CCHH)	109.4677	0.038	4	109.4677	0.001	4	109.4677	0.001	4	109.4677	0.001	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	As[5,5]-5:C-4:C-4:C-4:	C-4:	C(CAs[5,5]CC)(H)3	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	H(CCHH)	C(CAs[5,5]CC)(H)3	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	H(CCHH)	109.4751	0.044	14	109.4751	0.002	14	109.4751	0.002	14	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CC[5]TiHN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CC[5]TiHN)(CH3)3	H(CCHH)	109.4736	0.041	19	109.4736	0.002	19	109.4720	0.002	64	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCeHHO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCeHHO)(CH3)3	H(CCHH)	109.4841	0.060	11	109.4841	0.004	11	109.4720	0.002	64	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CNdHHO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CNdHHO)(CH3)3	H(CCHH)	109.4618	0.022	5	109.4618	0.000	5	109.4720	0.002	64	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTaHHN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTaHHN)(CH3)3	H(CCHH)	109.4741	0.049	14	109.4741	0.002	14	109.4720	0.002	64	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CTiCHN)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CTiCHN)(CH3)3	H(CCHH)	109.4628	0.060	15	109.4628	0.004	15	109.4720	0.002	64	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-5:P-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(COsH3)(POsCC)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(COsH3)(POsCC)(CH3)2	H(CCHH)	109.4516	0.047	5	109.4516	0.002	5	109.4636	0.002	13	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-5:P-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(CRuH3)(PRuCC)(CH3)2	H(CCHH)	C(CCCP)(H)3	C(CRuH3)(PRuCC)(CH3)2	H(CCHH)	109.4711	0.053	8	109.4711	0.003	8	109.4636	0.002	13	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]CC)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)3	H(CCHH)	C(CC[3x3,4,3x5,14x6]CC)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)3	H(CCHH)	109.4796	0.031	17	109.4796	0.001	17	109.4796	0.001	17	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(CH3)2	H(CCHH)	109.4661	0.041	8	109.4661	0.002	8	109.4661	0.002	8	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5,6]C[5]Yb)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5,6]C[5]Yb)(CH3)2	H(CCHH)	109.4676	0.075	8	109.4676	0.006	8	109.4666	0.002	99	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(CH3)2	H(CCHH)	109.4610	0.031	7	109.4610	0.001	7	109.4666	0.002	99	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	H(CCHH)	109.4681	0.052	29	109.4681	0.003	29	109.4666	0.002	99	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ta)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ta)(CH3)2	H(CCHH)	109.4610	0.039	20	109.4610	0.002	20	109.4666	0.002	99	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ti)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ti)(CH3)2	H(CCHH)	109.4651	0.037	14	109.4651	0.001	14	109.4666	0.002	99	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Zr)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Zr)(CH3)2	H(CCHH)	109.4724	0.067	17	109.4724	0.005	17	109.4666	0.002	99	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]C[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	H(CCHH)	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]C[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	H(CCHH)	109.4723	0.015	4	109.4723	0.000	4	109.4666	0.002	99	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ga-5:C-4:C-4:C-4:	C-4:	C(CGaCC)(H)3	C(GaLiC3)(CH3)3	H(CCHH)	C(CGaCC)(H)3	C(GaLiC3)(CH3)3	H(CCHH)	109.4723	0.031	9	109.4723	0.001	9	109.4723	0.001	9	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Ge[3,3]-5:C-4:C-4:C-4:	C-4:	C(CGe[3,3]CC)(H)3	C(Ge[3,3]B[3,3]N[3]2C)(CH3)3	H(CCHH)	C(CGe[3,3]CC)(H)3	C(Ge[3,3]B[3,3]N[3]2C)(CH3)3	H(CCHH)	109.4713	0.075	7	109.4713	0.006	7	109.4713	0.006	7	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-5:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLi3P)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLi3P)(CH3)3	H(CCHH)	109.4703	0.121	20	109.4703	0.015	20	109.4665	0.010	32	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	N-5:C-4:C-4:C-4:	C-4:	C(CCCN)(H)3	C(NLi3Sb)(CH3)3	H(CCHH)	C(CCCN)(H)3	C(NLi3Sb)(CH3)3	H(CCHH)	109.4602	0.041	12	109.4602	0.002	12	109.4665	0.010	32	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	O-5:C-4:C-4:C-4:	C-4:	C(CCCO)(H)3	C(OLi4)(CH3)3	H(CCHH)	C(CCCO)(H)3	C(OLi4)(CH3)3	H(CCHH)	109.4761	0.105	24	109.4761	0.011	24	109.4761	0.011	24	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PC[5]2CaC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PC[5]2CaC)(CH3)3	H(CCHH)	109.5026	0.039	5	109.5026	0.002	5	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCeNNO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCeNNO)(CH3)3	H(CCHH)	109.4751	0.067	19	109.4751	0.005	19	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PCuCNN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PCuCNN)(CH3)3	H(CCHH)	109.4928	0.069	19	109.4928	0.005	19	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PDyCCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PDyCCO)(CH3)3	H(CCHH)	109.4721	0.086	25	109.4721	0.007	25	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PLi3C)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PLi3C)(CH3)3	H(CCHH)	109.4786	0.223	14	109.4786	0.050	14	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PNiCNS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PNiCNS)(CH3)3	H(CCHH)	109.4825	0.048	15	109.4825	0.002	15	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PPdCCO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PPdCCO)(CH3)3	H(CCHH)	109.4838	0.043	12	109.4838	0.002	12	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PRe2CO)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PRe2CO)(CH3)3	H(CCHH)	109.5340	0.084	13	109.5340	0.007	13	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSe2CU)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSe2CU)(CH3)3	H(CCHH)	109.4672	0.069	37	109.4672	0.005	37	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSe2ThC)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSe2ThC)(CH3)3	H(CCHH)	109.4713	0.043	15	109.4713	0.002	15	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PSeTiCN)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PSeTiCN)(CH3)3	H(CCHH)	109.4716	0.071	29	109.4716	0.005	29	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:C-4:C-4:C-4:	C-4:	C(CCCP)(H)3	C(PThCSS)(CH3)3	H(CCHH)	C(CCCP)(H)3	C(PThCSS)(CH3)3	H(CCHH)	109.4657	0.048	13	109.4657	0.002	13	109.4791	0.007	216	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:N-4:C-4:C-4:	C-4:	C(CCNP)(H)3	C(PPdO3)(NPdCH)(CH3)2	H(CCHH)	C(CCNP)(H)3	C(PPdO3)(NPdCH)(CH3)2	H(CCHH)	109.4748	0.020	4	109.4748	0.000	4	109.4748	0.000	4	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	P-5:N-4:C-4:P-4:	C-4:	C(CNPP)(H)3	C(PPdO3)(NPdHH)(CH3)(PO3)	H(CCHH)	C(CNPP)(H)3	C(PPdO3)(NPdHH)(CH3)(PO3)	H(CCHH)	109.4667	0.019	3	109.4667	0.000	3	109.4667	0.000	3	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCNU)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCCNU)(CH3)3	H(CCHH)	109.4640	0.046	33	109.4640	0.002	33	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCCOW)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCCOW)(CH3)3	H(CCHH)	109.4663	0.055	8	109.4663	0.003	8	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiCeCCN)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiCeCCN)(CH3)3	H(CCHH)	109.4435	0.058	11	109.4435	0.003	11	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiLaCCN)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiLaCCN)(CH3)3	H(CCHH)	109.4614	0.056	27	109.4614	0.003	27	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiMgCCN)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiMgCCN)(CH3)3	H(CCHH)	109.4551	0.040	11	109.4551	0.002	11	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiNdCCN)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiNdCCN)(CH3)3	H(CCHH)	109.4794	0.040	10	109.4794	0.002	10	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiScCCN)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiScCCN)(CH3)3	H(CCHH)	109.4806	0.033	18	109.4806	0.001	18	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si-5:C-4:C-4:C-4:	C-4:	C(CSiCC)(H)3	C(SiZrCCN)(CH3)3	H(CCHH)	C(CSiCC)(H)3	C(SiZrCCN)(CH3)3	H(CCHH)	109.4624	0.040	12	109.4624	0.002	12	109.4644	0.002	130	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3,4]-5:C-4:C-4:C-4:	C-4:	C(CSi[3,4]CC)(H)3	C(Si[3,4]C[3]2N[4]2)(CH3)3	H(CCHH)	C(CSi[3,4]CC)(H)3	C(Si[3,4]C[3]2N[4]2)(CH3)3	H(CCHH)	111.7806	1.515	9	111.7806	2.297	9	111.7843	2.543	27	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3,4]-5:C-4:C-4:C-4:	C-4:	C(CSi[3,4]CC)(H)3	C(Si[3,4]C[3]N[3]N[4]2)(CH3)3	H(CCHH)	C(CSi[3,4]CC)(H)3	C(Si[3,4]C[3]N[3]N[4]2)(CH3)3	H(CCHH)	112.0718	1.900	9	112.0718	3.612	9	111.7843	2.543	27	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[3,4]-5:C-4:C-4:C-4:	C-4:	C(CSi[3,4]CC)(H)3	C(Si[3,4]N[3]2N[4]2)(CH3)3	H(CCHH)	C(CSi[3,4]CC)(H)3	C(Si[3,4]N[3]2N[4]2)(CH3)3	H(CCHH)	111.5004	1.474	9	111.5004	2.174	9	111.7843	2.543	27	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	5:4:4:4:	4:	C-4:H-1:H-1:H-1:	Si[5]-5:C-4:C-4:C-4:	C-4:	C(CSi[5]CC)(H)3	C(Si[5]O[5]2CO)(CH3)3	H(CCHH)	C(CSi[5]CC)(H)3	C(Si[5]O[5]2CO)(CH3)3	H(CCHH)	109.4764	0.036	8	109.4764	0.001	8	109.4764	0.001	8	109.5645	0.308	675	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3,3]-6:C-4:H-1:H-1:	C-4:	C(CC[3,3]HH)(H)3	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H(CCHH)	C(CC[3,3]HH)(H)3	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	H(CCHH)	109.4627	0.046	3	109.4627	0.002	3	109.4627	0.002	3	110.2220	2.110	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	H(CCHH)	C(CC[5x3,5x5,20x6]HH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	H(CCHH)	109.4835	0.009	2	109.4835	0.000	2	109.4947	0.000	4	110.2220	2.110	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	H(CCHH)	C(CC[5x3,5x5,20x6]HH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	H(CCHH)	109.5060	0.010	2	109.5060	0.000	2	109.4947	0.000	4	110.2220	2.110	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:1:1:	4:	C-4:H-1:H-1:H-1:	P[4x6]-6:C-4:H-1:H-1:	C-4:	C(CP[4x6]HH)(H)3	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	H(CCHH)	C(CP[4x6]HH)(H)3	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	H(CCHH)	111.9510	1.757	3	111.9510	3.087	3	111.9510	3.087	3	110.2220	2.110	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:2:1:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:O-2:H-1:	C-4:	C(CC[5x3,5x5,20x6]HO)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	H(CCHH)	C(CC[5x3,5x5,20x6]HO)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	H(CCHH)	109.4636	0.057	5	109.4636	0.003	5	109.4636	0.003	5	109.4636	0.003	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[3]-6:C-4:C-3:H-1:	C-4:	C(CC[3]CH)(H)3	C(C[3]C[3]2H3)(CH3)(COO)(H)	H(CCHH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H3)(CH3)(COO)(H)	H(CCHH)	109.4223	0.458	3	109.4223	0.210	3	109.4223	0.210	3	109.4223	0.210	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:1:	4:	C-4:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:H-1:	C-4:	C(CB[5x3,5x5,20x6]CH)(H)3	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	H(CCHH)	C(CB[5x3,5x5,20x6]CH)(H)3	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	H(CCHH)	109.4401	0.055	10	109.4401	0.003	10	109.4401	0.003	10	109.4493	0.002	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:C-4:H-1:	C-4:	C(CC[5x3,5x5,20x6]CH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	H(CCHH)	C(CC[5x3,5x5,20x6]CH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	H(CCHH)	109.4723	0.013	4	109.4723	0.000	4	109.4723	0.000	4	109.4493	0.002	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:4:	4:	C-4:H-1:H-1:H-1:	B[5x3,5x5,14x6]-6:C-4:C-4:C-4:	C-4:	C(CB[5x3,5x5,14x6]CC)(H)3	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(CH3)3	H(CCHH)	C(CB[5x3,5x5,14x6]CC)(H)3	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(CH3)3	H(CCHH)	109.4767	0.038	6	109.4767	0.001	6	109.4767	0.001	6	109.4699	0.002	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-6:C-4:C-4:C-4:	C-4:	C(CC3)(H)3	C(CCe2HHO)(CH3)3	H(CCHH)	C(CC3)(H)3	C(CCe2HHO)(CH3)3	H(CCHH)	109.4933	0.065	8	109.4933	0.004	8	109.4933	0.004	8	109.4699	0.002	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ru)(CH3)2	H(CCHH)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ru)(CH3)2	H(CCHH)	109.4746	0.042	17	109.4746	0.002	17	109.4645	0.002	42	109.4699	0.002	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Sm)(CH3)2	H(CCHH)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Sm)(CH3)2	H(CCHH)	109.4596	0.053	11	109.4596	0.003	11	109.4645	0.002	42	109.4699	0.002	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ti)(CH3)2	H(CCHH)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ti)(CH3)2	H(CCHH)	109.4498	0.026	6	109.4498	0.001	6	109.4645	0.002	42	109.4699	0.002	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(CH3)2	H(CCHH)	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(CH3)2	H(CCHH)	109.4606	0.030	8	109.4606	0.001	8	109.4645	0.002	42	109.4699	0.002	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:1:1:1:	6:6:4:2:	4:	C-4:H-1:H-1:H-1:	P-6:P-6:C-4:O-2:	C-4:	C(COPP)(H)3	C(PRu2O3)2(CH3)(OH)	H(CCHH)	C(COPP)(H)3	C(PRu2O3)2(CH3)(OH)	H(CCHH)	109.4838	0.039	6	109.4838	0.002	6	109.4838	0.002	6	109.4838	0.002	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:C-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CC)(H)2	C(OB[3x6])(CCHH)(H)2	H(CCCH)	C(CHHO)(CC)(H)2	C(OB[3x6])(CCHH)(H)2	H(CCCH)	109.0300	0.048	2	109.0300	0.002	2	109.1950	0.038	4	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:C-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CC)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)(CC)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.3600	0.054	2	109.3600	0.003	2	109.1950	0.038	4	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:C-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CN)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CHHS)(CN)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	109.3520	0.680	61	109.3520	0.463	61	109.3218	0.431	68	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:C-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CN)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	C(CHHS)(CN)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	109.1190	0.346	5	109.1190	0.119	5	109.3218	0.431	68	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:C-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CN)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHS)(CN)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	108.9065	0.132	2	108.9065	0.017	2	109.3218	0.431	68	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:C-2:H-1:O-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CO)(H)(O)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CHHO)(CO)(H)(O)	C(OC[6a])(CCHO)(H)2	H(CCCO)	106.6420	0.000	1	106.6420	0.000	1	106.6420	0.000	1	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.0363	1.101	7	109.0363	1.212	7	109.5602	1.438	17	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NC)(H)2	C(OSi[5])(CHHN)(H)2	H(CCHN)	C(CHHO)(NC)(H)2	C(OSi[5])(CHHN)(H)2	H(CCHN)	111.2920	0.022	4	111.2920	0.000	4	109.5602	1.438	17	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NN)(H)2	C(OC[6])(CHHN)(H)2	H(CCHN)	C(CHHO)(NN)(H)2	C(OC[6])(CHHN)(H)2	H(CCHN)	109.1150	0.028	2	109.1150	0.001	2	109.5602	1.438	17	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NN)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NN)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	108.9677	0.068	4	108.9677	0.005	4	109.5602	1.438	17	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:N-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NC)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(CHHS)(NC)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.9180	0.277	3	109.9180	0.077	3	109.9180	0.077	3	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:N-2:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(NC)(H)2	C(SeC[6a])(CHHN)(H)2	H(CCHN)	C(CSeHH)(NC)(H)2	C(SeC[6a])(CHHN)(H)2	H(CCHN)	109.3625	0.050	2	109.3625	0.003	2	109.3625	0.003	2	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-2:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5a])(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5a])(CHHO)(H)2	H(CCHO)	109.7100	0.027	2	109.7100	0.001	2	109.7100	0.001	2	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[5])(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[5])(CHHO)(H)2	H(CCHO)	110.3260	0.025	2	110.3260	0.001	2	109.2452	0.756	20	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[5a])(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[5a])(CHHO)(H)2	H(CCHO)	109.6520	0.873	8	109.6520	0.763	8	109.2452	0.756	20	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6a])(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6a])(CHHO)(H)2	H(CCHO)	108.4943	0.462	7	108.4943	0.213	7	109.2452	0.756	20	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[5])(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[5])(CHHO)(H)2	H(CCHO)	109.1920	0.246	3	109.1920	0.061	3	109.2452	0.756	20	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(OB[3x3,3x5,12x6])(CHHO)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(OB[3x3,3x5,12x6])(CHHO)(H)2	H(CCHO)	110.0632	0.088	4	110.0632	0.008	4	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(OC[5])(CHHO)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(OC[5])(CHHO)(H)2	H(CCHO)	109.1090	0.007	2	109.1090	0.000	2	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(OC[5a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(OC[5a])(CHHO)(H)2	H(CCHO)	109.6547	0.858	21	109.6547	0.737	21	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	109.4161	1.704	156	109.4161	2.904	156	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	109.6291	0.985	2270	109.6291	0.969	2270	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(OP[6])(CHHO)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(OP[6])(CHHO)(H)2	H(CCHO)	109.9235	0.402	76	109.9235	0.162	76	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(OC[5])(CHHO)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(OC[5])(CHHO)(H)2	H(CCHO)	108.9603	0.248	3	108.9603	0.062	3	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(OC[6])(CHHO)(H)2	H(CCHO)	109.2531	0.612	14	109.2531	0.374	14	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	109.3884	0.392	48	109.3884	0.154	48	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OS)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OS)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	110.1708	0.044	5	110.1708	0.002	5	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OSi)(H)2	C(OC[5a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OSi)(H)2	C(OC[5a])(CHHO)(H)2	H(CCHO)	109.5625	0.023	2	109.5625	0.001	2	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OSi)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OSi)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	109.7635	0.029	4	109.7635	0.001	4	109.6194	1.041	2605	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(SC[5])(CHHO)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(SC[5])(CHHO)(H)2	H(CCHO)	109.7370	0.973	35	109.7370	0.946	35	109.7885	0.517	83	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(SC[5a])(CHHO)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(SC[5a])(CHHO)(H)2	H(CCHO)	109.9001	0.478	25	109.9001	0.228	25	109.7885	0.517	83	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(SC[6a])(CHHO)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(SC[6a])(CHHO)(H)2	H(CCHO)	109.8056	0.206	8	109.8056	0.042	8	109.7885	0.517	83	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(SC[5])(CHHO)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(SC[5])(CHHO)(H)2	H(CCHO)	109.5782	0.508	12	109.5782	0.258	12	109.7885	0.517	83	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(OP)(H)2	C(SC[6a])(CHHO)(H)2	H(CCHO)	C(CHHS)(OP)(H)2	C(SC[6a])(CHHO)(H)2	H(CCHO)	110.2550	0.155	3	110.2550	0.024	3	109.7885	0.517	83	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:S-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(SC)(H)2	C(OC[6a])(CHHS)(H)2	H(CCHS)	C(CHHO)(SC)(H)2	C(OC[6a])(CHHS)(H)2	H(CCHS)	108.4832	0.357	17	108.4832	0.127	17	108.4938	0.134	21	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:S-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(SS)(H)2	C(OC[6a])(CHHS)(H)2	H(CCHS)	C(CHHO)(SS)(H)2	C(OC[6a])(CHHS)(H)2	H(CCHS)	108.5385	0.461	4	108.5385	0.212	4	108.4938	0.134	21	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:S-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(SC[5])(CHHS)(H)2	H(CCHS)	107.8010	0.016	2	107.8010	0.000	2	108.6959	0.270	10	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:1:1:	4:	C-4:S-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(SC[6,6])(CHHS)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(SC[6,6])(CHHS)(H)2	H(CCHS)	108.9196	0.246	8	108.9196	0.061	8	108.6959	0.270	10	109.6012	1.016	2836	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:3:1:	4:	C-4:C-2:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHS)(CC)(H)2	C(SC[6a])(CCHH)(CNO)(H)	H(CCCH)	C(CCHS)(CC)(H)2	C(SC[6a])(CCHH)(CNO)(H)	H(CCCH)	109.4495	0.013	2	109.4495	0.000	2	109.4495	0.000	2	109.4495	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:4:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(OC)(H)2	C(OC[6])(CCHO)(CHHO)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(OC[6])(CCHO)(CHHO)(H)	H(CCHO)	110.9030	0.068	2	110.9030	0.005	2	109.3504	2.061	10	109.3504	2.061	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:4:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(OC)(H)2	C(OP[6])(CCHH)(CHHO)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(OP[6])(CCHH)(CHHO)(H)	H(CCHO)	108.0465	3.122	2	108.0465	9.746	2	109.3504	2.061	10	109.3504	2.061	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:4:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(OH)(H)2	C(OC[6])(CCHO)(CHHO)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(OC[6])(CCHO)(CHHO)(H)	H(CCHO)	108.8820	0.025	2	108.8820	0.001	2	109.3504	2.061	10	109.3504	2.061	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	2:4:4:1:	4:	C-4:O-2:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(OH)(H)2	C(ON[6])(CHHO)2(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(ON[6])(CHHO)2(H)	H(CCHO)	109.4603	0.171	4	109.4603	0.029	4	109.3504	2.061	10	109.3504	2.061	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:2:4:1:	4:	C-4:O-2:H-1:H-1:	C-3:O-2:C-4:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CC[6a]N)(OC[6a])(CHHO)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CC[6a]N)(OC[6a])(CHHO)(H)	H(CCHO)	109.9860	0.014	2	109.9860	0.000	2	109.9860	0.000	2	110.0212	0.154	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:2:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-2:C-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	H(CCHO)	110.3080	0.505	2	110.3080	0.255	2	110.3080	0.255	2	110.0212	0.154	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:2:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	H(CCHO)	110.1423	0.329	6	110.1423	0.108	6	110.1296	0.078	8	110.0212	0.154	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:2:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(ON[5])(H)2	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	H(CCHO)	C(CC[6a]HO)(ON[5])(H)2	C(C[6a]C[6a]2)(ON[5])(CHHO)(H)	H(CCHO)	110.0915	0.009	2	110.0915	0.000	2	110.1296	0.078	8	110.0212	0.154	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:2:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(OH)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	H(CCHO)	C(CC[6a]HS)(OH)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHO)(H)	H(CCHO)	109.3360	0.014	2	109.3360	0.000	2	109.3360	0.000	2	110.0212	0.154	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C-4:	C(CC[6a]2C)(OB)(H)2	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	H(CCHO)	C(CC[6a]2C)(OB)(H)2	C(C[6a]C[6a]2)2(CC[6a]C)(CHHO)	H(CCHO)	108.8195	0.008	2	108.8195	0.000	2	108.8195	0.000	2	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(OH)(H)2	C(C[6a]C[6a]2)3(CHHO)	H(CCHO)	C(CC[6a]3)(OH)(H)2	C(C[6a]C[6a]2)3(CHHO)	H(CCHO)	108.6040	1.862	4	108.6040	3.468	4	108.6040	3.468	4	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(CN[5]3)(OC)(H)2	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	C(CN[5]3)(OC)(H)2	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	110.0852	0.153	12	110.0852	0.024	12	109.8680	0.156	22	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(CN[5]3)(OH)(H)2	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	C(CN[5]3)(OH)(H)2	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	109.4559	0.350	8	109.4559	0.123	8	109.8680	0.156	22	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(CN[5]3)(OP)(H)2	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	C(CN[5]3)(OP)(H)2	C(N[5]C[5]N[5])3(CHHO)	H(CCHO)	110.2125	0.006	2	110.2125	0.000	2	109.8680	0.156	22	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(CN[5a]N[5]2)(ORu)(H)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	H(CCHO)	C(CN[5a]N[5]2)(ORu)(H)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])2(CHHO)	H(CCHO)	108.5525	0.030	2	108.5525	0.001	2	108.5525	0.001	2	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	H(CCHO)	C(CN[5a]3)(OC)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	H(CCHO)	109.8713	0.330	40	109.8713	0.109	40	109.8101	0.397	48	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:	C(CN[5a]3)(OH)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	H(CCHO)	C(CN[5a]3)(OH)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	H(CCHO)	109.4977	0.042	4	109.4977	0.002	4	109.8101	0.397	48	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:3:4:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:N[5a]-3:C-4:	C-4:	C(CN[5a]3)(OS)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	H(CCHO)	C(CN[5a]3)(OS)(H)2	C(N[5a]C[5a]N[5a])3(CHHO)	H(CCHO)	109.5110	2.121	4	109.5110	4.499	4	109.8101	0.397	48	109.7069	0.552	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	109.0815	0.005	2	109.0815	0.000	2	109.0815	0.000	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:	C(CC[6a]HS)(CC)(H)2	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[6a]HS)(CC)(H)2	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	H(CCCH)	109.3320	0.048	2	109.3320	0.002	2	109.3320	0.002	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:C-2:H-1:H-1:	N-3:N-3:C-4:H-1:	C-4:	C(CHNN)(CN)(H)2	C(NC[5]C)2(CCHH)(H)	H(CCCH)	C(CHNN)(CN)(H)2	C(NC[5]C)2(CCHH)(H)	H(CCCH)	109.5725	0.005	2	109.5725	0.000	2	109.5725	0.000	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(OH)(H)2	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[6a]C[5]H)(OH)(H)2	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	109.9935	0.033	2	109.9935	0.001	2	109.9935	0.001	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(OC)(H)2	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[5a]C[6a]H)(OC)(H)2	C(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	108.9493	0.060	4	108.9493	0.004	4	108.8868	0.012	6	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(OH)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[5a]C[6a]H)(OH)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	108.7620	0.014	2	108.7620	0.000	2	108.8868	0.012	6	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHO)(H)	H(CCHO)	110.1160	0.014	2	110.1160	0.000	2	110.1160	0.000	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	H(CCHO)	109.2000	0.008	2	109.2000	0.000	2	109.4574	0.112	10	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(NC[6a]S)(CHHO)(H)	H(CCHO)	109.4335	0.015	2	109.4335	0.000	2	109.4574	0.112	10	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	H(CCHO)	109.6020	0.144	3	109.6020	0.021	3	109.4574	0.112	10	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(H)	H(CCHO)	108.9700	0.000	1	108.9700	0.000	1	109.4574	0.112	10	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(OSi)(H)2	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	H(CCHO)	C(CC[6a]HN)(OSi)(H)2	C(C[6a]C[6a]2)(NC[5]H)(CHHO)(H)	H(CCHO)	109.7655	0.585	2	109.7655	0.342	2	109.4574	0.112	10	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[4]-3:C-4:H-1:	C-4:	C(CC[6a]N[4]H)(OC)(H)2	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[4]H)(OC)(H)2	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	H(CCHO)	109.7250	0.030	2	109.7250	0.001	2	109.7250	0.001	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(OH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[5]H)(OH)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	H(CCHO)	109.0529	0.458	10	109.0529	0.210	10	109.0529	0.210	10	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	H(CCHO)	109.7903	0.429	6	109.7903	0.184	6	109.7903	0.184	6	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N-3:N-3:C-4:H-1:	C-4:	C(CHNN)(OH)(H)2	C(NC[5a]H)2(CHHO)(H)	H(CCHO)	C(CHNN)(OH)(H)2	C(NC[5a]H)2(CHHO)(H)	H(CCHO)	109.4275	0.018	2	109.4275	0.000	2	109.4275	0.000	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	110.1180	0.877	4	110.1180	0.770	4	110.0176	0.260	16	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[5]H)(OC)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	110.2244	0.204	5	110.2244	0.042	5	110.0176	0.260	16	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(OH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[5]H)(OH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	109.8126	0.383	7	109.8126	0.147	7	110.0176	0.260	16	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(OH)(H)2	C(N[5]C[5]2)2(CHHO)(H)	H(CCHO)	C(CN[5]2H)(OH)(H)2	C(N[5]C[5]2)2(CHHO)(H)	H(CCHO)	109.8190	0.006	2	109.8190	0.000	2	109.3686	0.182	5	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(OMn)(H)2	C(N[5]C[5]N[5])2(CHHO)(H)	H(CCHO)	C(CN[5]2H)(OMn)(H)2	C(N[5]C[5]N[5])2(CHHO)(H)	H(CCHO)	109.0683	0.163	3	109.0683	0.027	3	109.3686	0.182	5	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(OS)(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[5a]H)(OS)(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	110.3320	0.025	2	110.3320	0.001	2	110.3320	0.001	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:	C(CN[5a]2H)(OH)(H)2	C(N[5a]C[5a]N[5a])2(CHHO)(H)	H(CCHO)	C(CN[5a]2H)(OH)(H)2	C(N[5a]C[5a]N[5a])2(CHHO)(H)	H(CCHO)	109.6585	1.633	2	109.6585	2.666	2	109.6585	2.666	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(OC)(H)2	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[6a]N[6]H)(OC)(H)2	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	110.3025	0.025	2	110.3025	0.001	2	110.3025	0.001	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:S-2:H-1:H-1:	C[6]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6]N[5]H)(SC)(H)2	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	H(CCHS)	C(CC[6]N[5]H)(SC)(H)2	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	H(CCHS)	108.1480	0.006	2	108.1480	0.000	2	108.1480	0.000	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(SC[6a])(H)2	C(N[5]C[5]N[5])2(CHHS)(H)	H(CCHS)	C(CN[5]2H)(SC[6a])(H)2	C(N[5]C[5]N[5])2(CHHS)(H)	H(CCHS)	109.0835	0.059	2	109.0835	0.003	2	109.0835	0.003	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:Se-2:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(SeC[6a])(H)2	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	H(CSeCH)	C(CC[6a]CH)(SeC[6a])(H)2	C(C[6a]C[6a]2)(CC[6a]N)(CSeHH)(H)	H(CSeCH)	110.0440	0.438	4	110.0440	0.192	4	110.0440	0.192	4	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:Se-2:H-1:H-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(SeC[6a])(H)2	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	H(CSeCH)	C(CC[6a]N[5a]H)(SeC[6a])(H)2	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSeHH)(H)	H(CSeCH)	109.1735	0.011	2	109.1735	0.000	2	109.1735	0.000	2	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:1:	4:	C-4:Se-2:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(SeC[6a])(H)2	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	H(CSeCH)	C(CC[6a]N[5]H)(SeC[6a])(H)2	C(N[5]C[5]S[5])(C[6a]C[6a]2)(CSeHH)(H)	H(CSeCH)	108.8210	0.377	4	108.8210	0.142	4	108.8210	0.142	4	109.5131	0.385	87	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:2:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]2C)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	H(CCCH)	C(CC[6a]2C)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	H(CCCH)	108.8950	0.027	2	108.8950	0.001	2	108.8950	0.001	2	108.8166	0.707	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:2:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	109.2598	1.057	6	109.2598	1.117	6	109.1937	0.813	8	108.8166	0.707	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:2:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CRe)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CRe)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	108.9955	0.035	2	108.9955	0.001	2	109.1937	0.813	8	108.8166	0.707	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:2:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:N-2:	C-4:	C(CC[5a]C[6a]N)(OH)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	H(CCHO)	C(CC[5a]C[6a]N)(OH)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	H(CCHO)	108.5310	0.086	2	108.5310	0.007	2	108.5310	0.007	2	108.8166	0.707	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(CC[6a]2S)(OC)(H)2	C(C[6a]C[6a]2)2(CHHO)(SCu)	H(CCHO)	C(CC[6a]2S)(OC)(H)2	C(C[6a]C[6a]2)2(CHHO)(SCu)	H(CCHO)	109.1330	0.098	2	109.1330	0.010	2	109.1330	0.010	2	108.8166	0.707	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-3:C-4:C-2:	C-4:	C(CC[6a]CN)(OS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	H(CCHO)	C(CC[6a]CN)(OS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	H(CCHO)	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	108.8166	0.707	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:2:	4:	C-4:S-2:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:S-2:	C-4:	C(CC[5a]C[6a]S)(SC)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHS)(SC)	H(CCHS)	C(CC[5a]C[6a]S)(SC)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHS)(SC)	H(CCHS)	107.7600	0.139	4	107.7600	0.019	4	107.7600	0.019	4	108.8166	0.707	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:3:4:4:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(OC)(H)2	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	H(CCHO)	C(CC[5a]2C)(OC)(H)2	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	H(CCHO)	109.9595	0.033	2	109.9595	0.001	2	109.9595	0.001	2	109.9595	0.001	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CC[3]Cl)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CC[3]Cl)(CCHH)(H)2	H(CCCH)	109.6533	0.056	3	109.6533	0.003	3	109.4887	0.043	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	109.2025	0.028	2	109.2025	0.001	2	109.4887	0.043	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	109.5280	0.010	2	109.5280	0.000	2	109.4887	0.043	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	H(CCCH)	109.3525	0.018	2	109.3525	0.000	2	109.3525	0.000	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	108.7800	0.020	2	108.7800	0.000	2	109.0182	0.078	4	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	109.2565	0.071	2	109.2565	0.005	2	109.0182	0.078	4	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a])(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6a])(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.1045	0.470	2	108.1045	0.221	2	108.9624	0.340	11	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1530	0.415	9	109.1530	0.172	9	108.9624	0.340	11	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	In-3:C-4:H-1:H-1:	C-4:	C(CInHH)(CH)(H)2	C(InClC)(CCHH)(H)2	H(CCCH)	C(CInHH)(CH)(H)2	C(InClC)(CCHH)(H)2	H(CCCH)	101.8514	5.502	2	101.8514	30.273	2	101.8514	30.273	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	109.3283	0.159	3	109.3283	0.025	3	109.5945	0.265	11	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.7567	0.665	6	109.7567	0.443	6	109.5945	0.265	11	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	109.5070	0.021	2	109.5070	0.000	2	109.5945	0.265	11	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CC)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.9753	0.081	4	108.9753	0.007	4	109.0522	0.119	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CC)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.3285	0.016	2	108.3285	0.000	2	109.0522	0.119	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.9660	0.035	4	108.9660	0.001	4	109.0522	0.119	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.3740	0.331	5	109.3740	0.109	5	109.0522	0.119	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.1750	0.056	4	109.1750	0.003	4	109.0522	0.119	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.5787	0.966	7	108.5787	0.933	7	109.0113	0.745	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.5185	0.026	2	109.5185	0.001	2	109.0113	0.745	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.5530	0.780	4	109.5530	0.608	4	109.0113	0.745	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.9350	0.008	2	108.9350	0.000	2	109.0113	0.745	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CC)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CC)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.9774	0.470	8	108.9774	0.220	8	109.1613	0.322	10	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.8970	0.024	2	109.8970	0.001	2	109.1613	0.322	10	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CN)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CN)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.7635	2.425	8	109.7635	5.879	8	109.7635	5.879	8	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(CN)(H)2	C(SC[6a]Fe)(CCHH)(H)2	H(CCCH)	C(CHHS)(CN)(H)2	C(SC[6a]Fe)(CCHH)(H)2	H(CCCH)	109.2525	0.013	2	109.2525	0.000	2	109.2525	0.000	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:Ge-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(GeN)(H)2	C(C[6a]C[6a]2)(CGeHH)(H)2	H(CGeCH)	C(CC[6a]HH)(GeN)(H)2	C(C[6a]C[6a]2)(CGeHH)(H)2	H(CGeCH)	110.2120	0.086	2	110.2120	0.007	2	110.2120	0.007	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:H-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(HCl)(H)2	C(C[5a]C[5a]2)(CH3)(H)2	H(CCHH)	C(CC[5a]HH)(HCl)(H)2	C(C[5a]C[5a]2)(CH3)(H)2	H(CCHH)	109.4930	0.047	2	109.4930	0.002	2	109.4930	0.002	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CN[5]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CN[5]O)(CHHN)(H)2	H(CCHN)	110.0180	0.023	2	110.0180	0.001	2	109.4827	0.768	6	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NMo)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NMo)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	108.3525	0.053	2	108.3525	0.003	2	109.4827	0.768	6	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NN)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NN)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	110.0775	0.009	2	110.0775	0.000	2	109.4827	0.768	6	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	109.3720	0.211	3	109.3720	0.044	3	109.3930	0.023	5	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	109.4245	0.009	2	109.4245	0.000	2	109.3930	0.023	5	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.5969	0.543	8	109.5969	0.294	8	109.5865	0.160	16	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.6222	0.139	4	109.6222	0.019	4	109.5865	0.160	16	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CCHN)	109.7860	0.037	2	109.7860	0.001	2	109.5865	0.160	16	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[5])(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC[5])(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.2740	0.066	2	109.2740	0.004	2	109.5865	0.160	16	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.9305	0.009	2	108.9305	0.000	2	109.8186	1.004	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.5140	0.008	2	109.5140	0.000	2	109.8186	1.004	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	110.6137	1.088	3	110.6137	1.183	3	109.8186	1.004	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.6148	0.636	26	109.6148	0.404	26	109.5375	1.178	28	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	108.5315	4.417	2	108.5315	19.513	2	109.5375	1.178	28	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(NC[5]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(NC[5]H)(CHHN)(H)2	H(CCHN)	109.5900	0.000	1	109.5900	0.000	1	109.4552	0.366	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.2590	0.007	2	109.2590	0.000	2	109.4552	0.366	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.2817	0.265	6	109.2817	0.070	6	109.4552	0.366	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.5340	1.072	6	109.5340	1.150	6	109.4552	0.366	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.6615	0.012	4	109.6615	0.000	4	109.4552	0.366	19	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	109.7695	0.309	13	109.7695	0.096	13	109.6633	0.061	35	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.6005	0.182	22	109.6005	0.033	22	109.6633	0.061	35	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.5800	0.013	2	109.5800	0.000	2	109.4428	0.025	4	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.3055	0.008	2	109.3055	0.000	2	109.4428	0.025	4	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	110.1810	1.166	3	110.1810	1.359	3	111.1981	16.594	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[6])(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[6])(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.3075	0.011	2	109.3075	0.000	2	111.1981	16.594	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	114.6145	7.953	2	114.6145	63.248	2	111.1981	16.594	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(NC)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CN[6a]HH)(NC)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.9715	0.052	4	108.9715	0.003	4	108.9715	0.003	4	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:F-1:H-1:	C-4:	C(CCFH)(OH)(H)2	C(CC[6a]C)(CHHO)(F)(H)	H(CCHO)	C(CCFH)(OH)(H)2	C(CC[6a]C)(CHHO)(F)(H)	H(CCHO)	109.4360	0.021	2	109.4360	0.000	2	109.4360	0.000	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[4]H)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[4]H)(CHHO)(H)2	H(CCHO)	108.8510	0.000	1	108.8510	0.000	1	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6]C)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6]C)(CHHO)(H)2	H(CCHO)	109.5640	0.035	2	109.5640	0.001	2	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6a]C)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6a]C)(CHHO)(H)2	H(CCHO)	110.0585	0.241	6	110.0585	0.058	6	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5]C)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5]C)(CHHO)(H)2	H(CCHO)	109.7355	0.055	4	109.7355	0.003	4	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5a]O)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5a]O)(CHHO)(H)2	H(CCHO)	105.9145	0.011	2	105.9145	0.000	2	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6]O)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6]O)(CHHO)(H)2	H(CCHO)	109.5554	0.074	7	109.5554	0.005	7	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6a]C)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6a]C)(CHHO)(H)2	H(CCHO)	108.7485	0.030	2	108.7485	0.001	2	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CC[3]C)(CHHO)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CC[3]C)(CHHO)(H)2	H(CCHO)	109.5621	0.463	12	109.5621	0.214	12	109.3953	0.907	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(OC)(H)2	C(C[4]C[4]2)(CHHO)(H)2	H(CCHO)	C(CC[4]HH)(OC)(H)2	C(C[4]C[4]2)(CHHO)(H)2	H(CCHO)	109.8890	0.037	2	109.8890	0.001	2	109.8890	0.001	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.9513	0.267	4	109.9513	0.071	4	109.5567	3.284	40	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	112.7580	0.403	2	112.7580	0.162	2	109.5567	3.284	40	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.6945	0.006	2	109.6945	0.000	2	109.5567	3.284	40	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.9400	0.037	2	109.9400	0.001	2	109.5567	3.284	40	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	109.0034	2.160	22	109.0034	4.666	22	109.5567	3.284	40	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OP)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OP)(H)2	C(C[5]C[5]S[5])(CHHO)(H)2	H(CCHO)	110.0223	0.167	6	110.0223	0.028	6	109.5567	3.284	40	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	109.7345	0.056	2	109.7345	0.003	2	109.5567	3.284	40	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	110.5075	0.006	2	110.5075	0.000	2	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OC)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CCHO)	110.2575	0.046	2	110.2575	0.002	2	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OC[6a])(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OC[6a])(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	H(CCHO)	110.2975	0.059	2	110.2975	0.003	2	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	109.5076	0.154	7	109.5076	0.024	7	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	109.4315	0.036	2	109.4315	0.001	2	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OH)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CCHO)	109.2277	0.151	3	109.2277	0.023	3	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(H)2	H(CCHO)	110.4815	0.018	2	110.4815	0.000	2	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OS)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(H)2	H(CCHO)	109.9695	0.043	2	109.9695	0.002	2	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(OSi)(H)2	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	C(CC[5a]HH)(OSi)(H)2	C(C[5a]N[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	109.8220	0.024	2	109.8220	0.001	2	109.8238	0.215	24	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	110.0023	0.133	4	110.0023	0.018	4	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	110.6765	1.843	6	110.6765	3.398	6	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]N[6]2)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]N[6]2)(CHHO)(H)2	H(CCHO)	110.2325	0.016	2	110.2325	0.000	2	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	109.1660	0.048	2	109.1660	0.002	2	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]O[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]O[6])(CHHO)(H)2	H(CCHO)	109.8280	0.110	4	109.8280	0.012	4	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	111.1105	0.893	2	111.1105	0.798	2	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	110.1270	0.023	2	110.1270	0.001	2	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2)(CHHO)(H)2	H(CCHO)	108.9247	0.027	3	108.9247	0.001	3	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.3900	0.004	2	109.3900	0.000	2	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(ONi)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(ONi)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.5425	0.035	2	109.5425	0.001	2	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	109.9650	0.059	2	109.9650	0.004	2	109.9749	0.979	31	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	110.0152	0.899	28	110.0152	0.808	28	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OC)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	109.9575	0.015	2	109.9575	0.000	2	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC[6])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OC[6])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	108.9305	0.349	2	108.9305	0.122	2	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CCHO)	111.6580	3.784	2	111.6580	14.322	2	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	109.9732	0.738	22	109.9732	0.545	22	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OC[6a])(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	109.9700	0.451	8	109.9700	0.204	8	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CCHO)	109.6960	0.679	8	109.6960	0.461	8	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	109.6463	0.546	30	109.6463	0.298	30	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	109.0460	0.028	2	109.0460	0.001	2	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(ONi)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(ONi)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	109.3525	0.056	2	109.3525	0.003	2	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OP)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OP)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	110.0581	0.223	8	110.0581	0.050	8	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	110.1070	0.007	2	110.1070	0.000	2	109.8717	0.648	116	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[5a]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[5a]C)(CHHO)(H)2	H(CCHO)	110.1985	0.059	2	110.1985	0.003	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	109.8371	0.597	7	109.8371	0.357	7	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6]S)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6]S)(CHHO)(H)2	H(CCHO)	109.5306	0.195	8	109.5306	0.038	8	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	109.9723	0.817	79	109.9723	0.668	79	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	109.9642	0.520	20	109.9642	0.270	20	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6a]S)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6a]S)(CHHO)(H)2	H(CCHO)	110.4275	0.012	2	110.4275	0.000	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6a]Zn)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6a]Zn)(CHHO)(H)2	H(CCHO)	110.0375	0.028	2	110.0375	0.001	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OGe)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OGe)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	106.7406	5.270	4	106.7406	27.771	4	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OGe)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OGe)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	108.6657	2.904	11	108.6657	8.435	11	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[5]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[5]H)(CHHO)(H)2	H(CCHO)	109.5049	0.446	8	109.5049	0.199	8	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[5a]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[5a]C)(CHHO)(H)2	H(CCHO)	109.4430	0.011	2	109.4430	0.000	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6,6]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6,6]C)(CHHO)(H)2	H(CCHO)	109.6595	0.050	2	109.6595	0.003	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6,6]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6,6]H)(CHHO)(H)2	H(CCHO)	109.2905	0.088	2	109.2905	0.008	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	109.6830	0.006	2	109.6830	0.000	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6]H)(CHHO)(H)2	H(CCHO)	109.3335	0.391	4	109.3335	0.153	4	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6a]C)(CHHO)(H)2	H(CCHO)	109.3833	0.400	55	109.3833	0.160	55	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	109.2219	0.477	41	109.2219	0.227	41	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6a]S)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6a]S)(CHHO)(H)2	H(CCHO)	108.7670	0.035	2	108.7670	0.001	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NN[5]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NN[5]H)(CHHO)(H)2	H(CCHO)	109.4805	0.012	2	109.4805	0.000	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(ON)(H)2	C(NC[6a]N)(CHHO)(H)2	H(CCHO)	C(CHHN)(ON)(H)2	C(NC[6a]N)(CHHO)(H)2	H(CCHO)	108.7145	0.006	2	108.7145	0.000	2	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OS)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	C(CHHN)(OS)(H)2	C(NC[6a]H)(CHHO)(H)2	H(CCHO)	110.2815	0.123	8	110.2815	0.015	8	109.5687	1.217	265	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	H(CCHO)	109.9290	0.007	2	109.9290	0.000	2	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	H(CCHO)	109.5060	1.262	4	109.5060	1.591	4	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	109.8517	0.475	35	109.8517	0.226	35	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	110.0723	0.718	155	110.0723	0.515	155	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.8938	0.158	18	109.8938	0.025	18	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC[5])(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC[5])(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.4106	0.200	5	109.4106	0.040	5	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC[6])(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC[6])(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.9610	0.062	2	109.9610	0.004	2	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	110.1079	0.497	20	110.1079	0.247	20	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	110.1746	0.373	53	110.1746	0.139	53	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.9174	0.599	10	109.9174	0.358	10	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OCd)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OCd)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.9730	0.037	2	109.9730	0.001	2	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(H)2	H(CCHO)	109.1570	0.020	3	109.1570	0.000	3	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	109.3471	0.454	24	109.3471	0.206	24	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.4166	1.148	70	109.4166	1.317	70	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.3395	0.183	11	109.3395	0.033	11	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(ON)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(ON)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	110.5770	0.040	2	110.5770	0.002	2	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(ONi)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(ONi)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.6295	0.022	2	109.6295	0.000	2	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OP)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OP)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	110.0480	0.000	1	110.0480	0.000	1	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OS)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OS)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	110.4860	0.004	2	110.4860	0.000	2	109.8685	0.583	421	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	109.9332	1.050	18	109.9332	1.103	18	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	110.1775	1.555	55	110.1775	2.418	55	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OC)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	109.6708	0.936	24	109.6708	0.876	24	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC[6])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OC[6])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	109.9947	1.002	4	109.9947	1.005	4	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	109.9565	0.100	2	109.9565	0.010	2	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	109.9368	0.761	4	109.9368	0.579	4	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	110.0524	0.747	33	110.0524	0.558	33	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]2)(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]2)(CHHO)(H)2	H(CCHO)	109.4265	0.108	4	109.4265	0.012	4	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(H)2	H(CCHO)	109.0654	0.164	17	109.0654	0.027	17	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	108.9157	0.889	25	108.9157	0.790	25	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OH)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	109.6199	0.703	14	109.6199	0.494	14	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OP)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OP)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(H)2	H(CCHO)	110.2175	0.184	4	110.2175	0.034	4	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OS)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	C(CN[5a]HH)(OS)(H)2	C(N[5a]C[5a]2)(CHHO)(H)2	H(CCHO)	110.1368	0.063	4	110.1368	0.004	4	109.7732	1.255	208	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OB)(H)2	C(N[6]B[6]C[6])(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OB)(H)2	C(N[6]B[6]C[6])(CHHO)(H)2	H(CCHO)	107.0140	0.400	2	107.0140	0.160	2	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	109.8175	0.171	4	109.8175	0.029	4	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6,6a]2)(CHHO)(H)2	H(CCHO)	109.9888	0.238	13	109.9888	0.057	13	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	109.8305	0.391	22	109.8305	0.153	22	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC)(H)2	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	H(CCHO)	109.9590	0.250	6	109.9590	0.063	6	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC[6])(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC[6])(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	110.3655	0.475	6	110.3655	0.225	6	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	109.9653	0.745	71	109.9653	0.555	71	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]2)(CHHO)(H)2	H(CCHO)	109.6604	0.389	5	109.6604	0.151	5	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6]C[6])(CHHO)(H)2	H(CCHO)	109.3395	0.948	2	109.3395	0.899	2	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6a]C[6])(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6,6a]C[6])(CHHO)(H)2	H(CCHO)	109.8040	0.329	4	109.8040	0.109	4	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	109.3271	0.797	57	109.3271	0.636	57	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(ON[5])(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(ON[5])(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	110.3440	0.000	1	110.3440	0.000	1	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OP)(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OP)(H)2	C(N[6]C[6]2)(CHHO)(H)2	H(CCHO)	110.0600	0.008	2	110.0600	0.000	2	109.7293	0.591	195	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CCHO)	109.7590	0.000	1	109.7590	0.000	1	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	H(CCHO)	110.9750	0.892	2	110.9750	0.796	2	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	109.3453	0.662	15	109.3453	0.438	15	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	110.3717	0.115	6	110.3717	0.013	6	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CCHO)	110.5652	0.065	4	110.5652	0.004	4	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	110.4645	0.052	4	110.4645	0.003	4	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	H(CCHO)	109.7105	0.015	2	109.7105	0.000	2	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	109.5719	0.238	12	109.5719	0.057	12	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CHHO)(H)2	H(CCHO)	108.3487	0.947	4	108.3487	0.897	4	109.7183	0.633	50	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	O[3]-3:C-4:H-1:H-1:	C-4:	C(CO[3]HH)(OC[6])(H)2	C(O[3]C[3]H[3])(CHHO)(H)2	H(CCHO)	C(CO[3]HH)(OC[6])(H)2	C(O[3]C[3]H[3])(CHHO)(H)2	H(CCHO)	107.2125	2.016	2	107.2125	4.064	2	107.2125	4.064	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(OH)(H)2	C(PC[6a]H)(CHHO)(H)2	H(CCHO)	C(CHHP)(OH)(H)2	C(PC[6a]H)(CHHO)(H)2	H(CCHO)	109.1015	0.043	2	109.1015	0.002	2	109.1015	0.002	2	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(SC[6a]Cu)(CHHO)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(SC[6a]Cu)(CHHO)(H)2	H(CCHO)	109.4223	1.057	4	109.4223	1.118	4	109.5896	0.978	5	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(SC[6a]O)(CHHO)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(SC[6a]O)(CHHO)(H)2	H(CCHO)	110.2590	0.000	1	110.2590	0.000	1	109.5896	0.978	5	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(OC)(H)2	C(SePtC)(CHHO)(H)2	H(CCHO)	C(CSeHH)(OC)(H)2	C(SePtC)(CHHO)(H)2	H(CCHO)	110.7864	1.505	7	110.7864	2.265	7	110.7864	2.265	7	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:O-2:H-1:O-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OH)(H)(O)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	H(CCOO)	C(CN[5a]HH)(OH)(H)(O)	C(N[5a]C[5a,6a]2)(CHOO)(H)2	H(CCOO)	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(SC)(H)2	C(C[5a]N[5a]2)(CHHS)(H)2	H(CCHS)	C(CC[5a]HH)(SC)(H)2	C(C[5a]N[5a]2)(CHHS)(H)2	H(CCHS)	109.8240	0.000	1	109.8240	0.000	1	110.1630	3.614	5	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(SC)(H)2	C(C[5a]N[5a]S[5a])(CHHS)(H)2	H(CCHS)	C(CC[5a]HH)(SC)(H)2	C(C[5a]N[5a]S[5a])(CHHS)(H)2	H(CCHS)	112.0130	1.359	2	112.0130	1.847	2	110.1630	3.614	5	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(SC[6a])(H)2	C(C[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	C(CC[5a]HH)(SC[6a])(H)2	C(C[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	108.4825	0.011	2	108.4825	0.000	2	110.1630	3.614	5	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SAs)(H)2	C(C[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SAs)(H)2	C(C[6]C[6]2)(CHHS)(H)2	H(CCHS)	107.6715	2.682	2	107.6715	7.193	2	108.4547	1.808	6	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SC[6a])(H)2	C(C[6]C[6,6]C[6])(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SC[6a])(H)2	C(C[6]C[6,6]C[6])(CHHS)(H)2	H(CCHS)	108.8462	0.045	4	108.8462	0.002	4	108.4547	1.808	6	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	108.9947	0.916	6	108.9947	0.839	6	109.1058	0.520	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SC[6])(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SC[6])(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.0400	0.725	4	109.0400	0.525	4	109.1058	0.520	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SC[6a])(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SC[6a])(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.7510	0.021	2	109.7510	0.000	2	109.1058	0.520	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SCu)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SCu)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	108.9255	0.005	2	108.9255	0.000	2	109.1058	0.520	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NC[5]C)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NC[5]C)(CHHS)(H)2	H(CCHS)	109.3785	0.045	4	109.3785	0.002	4	108.8485	0.140	33	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NC[5]H)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NC[5]H)(CHHS)(H)2	H(CCHS)	108.6963	0.067	4	108.6963	0.004	4	108.8485	0.140	33	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NC[6a]C)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NC[6a]C)(CHHS)(H)2	H(CCHS)	108.7963	0.269	15	108.7963	0.072	15	108.8485	0.140	33	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NC[6a]N)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NC[6a]N)(CHHS)(H)2	H(CCHS)	108.5835	0.043	2	108.5835	0.002	2	108.8485	0.140	33	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(SS)(H)2	C(NC[6a]C)(CHHS)(H)2	H(CCHS)	C(CHHN)(SS)(H)2	C(NC[6a]C)(CHHS)(H)2	H(CCHS)	108.8619	0.573	7	108.8619	0.329	7	108.8485	0.140	33	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(SS)(H)2	C(NC[6a]H)(CHHS)(H)2	H(CCHS)	C(CHHN)(SS)(H)2	C(NC[6a]H)(CHHS)(H)2	H(CCHS)	108.5590	0.000	1	108.5590	0.000	1	108.8485	0.140	33	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	108.7318	0.547	10	108.7318	0.299	10	108.9018	0.123	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	109.0294	0.125	11	109.0294	0.016	11	108.9018	0.123	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[5])(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC[5])(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	109.0365	0.005	2	109.0365	0.000	2	108.9018	0.123	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[5a])(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC[5a])(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	109.2750	0.000	1	109.2750	0.000	1	108.9018	0.123	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[5a])(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC[5a])(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.8470	0.008	2	108.8470	0.000	2	108.9018	0.123	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[6])(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC[6])(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.7720	0.011	2	108.7720	0.000	2	108.9018	0.123	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[6a])(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC[6a])(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.9049	0.330	8	108.9049	0.109	8	108.9018	0.123	36	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	H(CCHS)	108.5413	0.118	4	108.5413	0.014	4	108.6813	0.049	18	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SC[6])(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SC[6])(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	108.7030	0.011	2	108.7030	0.000	2	108.6813	0.049	18	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SC[6a])(H)2	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SC[6a])(H)2	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CCHS)	108.6740	0.010	2	108.6740	0.000	2	108.6813	0.049	18	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SC[6a])(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SC[6a])(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	109.2080	0.048	2	109.2080	0.002	2	108.6813	0.049	18	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SC[6a])(H)2	C(N[5a]C[5a]N[5a])(CHHS)(H)2	H(CCHS)	108.6118	0.134	4	108.6118	0.018	4	108.6813	0.049	18	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SS)(H)2	C(N[5a]C[5a]N[5a])(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SS)(H)2	C(N[5a]C[5a]N[5a])(CHHS)(H)2	H(CCHS)	108.6202	0.156	4	108.6202	0.024	4	108.6813	0.049	18	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SC)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SC)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	109.4875	0.013	2	109.4875	0.000	2	109.6999	2.482	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SC[6a])(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SC[6a])(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	110.2032	2.429	6	110.2032	5.899	6	109.6999	2.482	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SH)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SH)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	109.1605	0.011	2	109.1605	0.000	2	109.6999	2.482	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SRe)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SRe)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	109.3208	0.054	4	109.3208	0.003	4	109.6999	2.482	14	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SAl)(H)2	C(SAlCu)(CHHS)(H)2	H(CCHS)	C(CHHS)(SAl)(H)2	C(SAlCu)(CHHS)(H)2	H(CCHS)	108.7863	0.230	3	108.7863	0.053	3	108.5209	1.782	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(SB[3x3,3x5,12x6]C)(CHHS)(H)2	H(CCHS)	108.5400	0.071	4	108.5400	0.005	4	108.5209	1.782	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SMo)(H)2	C(SAgMo)(CHHS)(H)2	H(CCHS)	C(CHHS)(SMo)(H)2	C(SAgMo)(CHHS)(H)2	H(CCHS)	109.7030	0.033	2	109.7030	0.001	2	108.5209	1.782	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SMo)(H)2	C(SCuMo)(CHHS)(H)2	H(CCHS)	C(CHHS)(SMo)(H)2	C(SCuMo)(CHHS)(H)2	H(CCHS)	109.2690	0.235	4	109.2690	0.055	4	108.5209	1.782	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:S-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SSn)(H)2	C(SCuSn)(CHHS)(H)2	H(CCHS)	C(CHHS)(SSn)(H)2	C(SCuSn)(CHHS)(H)2	H(CCHS)	105.4065	0.124	2	105.4065	0.015	2	108.5209	1.782	15	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:Se-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SeC)(H)2	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CSeCH)	C(CN[5]HH)(SeC)(H)2	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CSeCH)	108.4748	0.058	4	108.4748	0.003	4	108.4748	0.003	4	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:Se-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SeC)(H)2	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	H(CSeCH)	C(CN[5a]HH)(SeC)(H)2	C(N[5a]C[5a]N[5a])(CSeHH)(H)2	H(CSeCH)	108.9297	0.119	4	108.9297	0.014	4	108.9297	0.014	4	109.6409	1.084	1782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	109.3445	0.032	4	109.3445	0.001	4	109.3445	0.001	4	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.9343	1.954	20	108.9343	3.817	20	108.9517	3.633	21	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	H(CCCH)	C(CC[6a]HO)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	H(CCCH)	109.3000	0.000	1	109.3000	0.000	1	108.9517	3.633	21	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	H(CCHN)	C(CC[6a]HO)(NH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	H(CCHN)	108.3155	0.036	2	108.3155	0.001	2	108.3155	0.001	2	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OC)(H)	H(CCHO)	110.1650	0.027	2	110.1650	0.001	2	109.9257	0.078	4	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OSi)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[5]H)(CHHO)(OSi)(H)	H(CCHO)	109.6865	0.070	2	109.6865	0.005	2	109.9257	0.078	4	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	H(CCHO)	C(CC[5a]HO)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(OH)(H)	H(CCHO)	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC)(H)	H(CCHO)	109.0298	0.552	4	109.0298	0.304	4	109.0298	0.304	4	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	H(CCHO)	109.6129	0.664	11	109.6129	0.441	11	109.6461	0.545	34	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	H(CCHO)	C(CC[6a]HO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	H(CCHO)	110.2053	0.490	8	110.2053	0.240	8	109.6461	0.545	34	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	H(CCHO)	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OC)(H)	H(CCHO)	108.9368	0.124	5	108.9368	0.015	5	109.6461	0.545	34	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	H(CCHO)	C(CC[6a]HO)(OC[6a])(H)2	C(C[6a]C[6a]2)(CHHO)(OTi)(H)	H(CCHO)	110.4080	0.018	4	110.4080	0.000	4	109.6461	0.545	34	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(OH)(H)	H(CCHO)	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(OH)(H)	H(CCHO)	109.8400	0.011	2	109.8400	0.000	2	109.6461	0.545	34	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	H(CCHO)	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(ON)(H)	H(CCHO)	108.3210	0.017	2	108.3210	0.000	2	109.6461	0.545	34	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	H(CCHO)	C(CC[6a]HO)(OH)(H)2	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	H(CCHO)	108.9725	0.046	2	108.9725	0.002	2	109.6461	0.545	34	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(SC)(H)	H(CCHO)	C(CC[6a]HS)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(SC)(H)	H(CCHO)	110.1640	0.075	2	110.1640	0.006	2	110.1640	0.006	2	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:O-2:H-1:	C-4:	C(CN[5]HO)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(OC)(H)	H(CCHO)	C(CN[5]HO)(OC)(H)2	C(N[5]C[5]N[5])(CHHO)(OC)(H)	H(CCHO)	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:1:	4:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SC[6a])(H)2	C(C[6a]C[6a]2)(CHHS)(OH)(H)	H(CCHS)	C(CC[6a]HO)(SC[6a])(H)2	C(C[6a]C[6a]2)(CHHS)(OH)(H)	H(CCHS)	108.8595	0.022	2	108.8595	0.000	2	108.8595	0.000	2	109.3875	1.417	75	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:2:2:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-2:N-2:	C-4:	C(CCNN)(OC)(H)2	C(CC[6a]O)(CHHO)(NN)2	H(CCHO)	C(CCNN)(OC)(H)2	C(CC[6a]O)(CHHO)(NN)2	H(CCHO)	112.9535	0.310	2	112.9535	0.096	2	112.9535	0.096	2	112.9535	0.096	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NP)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	H(CCHN)	C(CC[6a]HN)(NP)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	H(CCHN)	108.5110	2.021	2	108.5110	4.084	2	108.5110	4.084	2	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CC[6]H)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CC[6]H)(CHHO)(NCC)(H)	H(CCHO)	108.7785	0.004	4	108.7785	0.000	4	109.4873	0.609	8	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CN[5]O)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CN[5]O)(CHHO)(NCH)(H)	H(CCHO)	109.9495	0.049	2	109.9495	0.002	2	109.4873	0.609	8	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CN[5a]O)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CN[5a]O)(CHHO)(NCH)(H)	H(CCHO)	110.4425	0.008	2	110.4425	0.000	2	109.4873	0.609	8	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	H(CCHO)	110.1670	0.016	2	110.1670	0.000	2	110.0262	0.276	10	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(H)	H(CCHO)	109.9910	0.589	8	109.9910	0.347	8	110.0262	0.276	10	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OB)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	H(CCHO)	C(CC[6a]HN)(OB)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	H(CCHO)	109.6050	0.008	2	109.6050	0.000	2	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	H(CCHO)	109.1880	0.016	4	109.1880	0.000	4	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NCO)(H)	H(CCHO)	110.0378	0.158	4	110.0378	0.025	4	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	H(CCHO)	109.8002	0.354	6	109.8002	0.125	6	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NHS)(H)	H(CCHO)	108.7680	0.365	2	108.7680	0.133	2	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	H(CCHO)	C(CC[6a]HN)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(NPdC)(H)	H(CCHO)	110.4950	0.065	2	110.4950	0.004	2	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OC[3])(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	H(CCHO)	C(CC[6a]HN)(OC[3])(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	H(CCHO)	108.6515	0.009	2	108.6515	0.000	2	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCC)(H)	H(CCHO)	109.5395	0.463	10	109.5395	0.214	10	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCH)(H)	H(CCHO)	109.3475	0.554	33	109.3475	0.307	33	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCS)(H)	H(CCHO)	109.1386	1.642	5	109.1386	2.697	5	109.4328	0.451	70	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(NC[6a]H)(CHHO)(CCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(NC[6a]H)(CHHO)(CCH)(H)	H(CCHO)	109.6940	0.073	5	109.6940	0.005	5	109.6340	0.014	7	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NC[6a]H)(CHHO)(COO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NC[6a]H)(CHHO)(COO)(H)	H(CCHO)	109.4840	0.013	2	109.4840	0.000	2	109.6340	0.014	7	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	H(CCHO)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(CCH)(H)	H(CCHO)	109.7477	0.426	4	109.7477	0.181	4	109.7157	0.111	6	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(CCH)(H)	H(CCHO)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CHHO)(CCH)(H)	H(CCHO)	109.6515	0.028	2	109.6515	0.001	2	109.7157	0.111	6	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:C-3:H-1:	C-4:	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	H(CCHO)	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	H(CCHO)	109.2740	0.017	2	109.2740	0.000	2	109.2740	0.000	2	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:S-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(SC)(H)2	C(CN[5]O)(CHHS)(NCH)(H)	H(CCHS)	C(CCHN)(SC)(H)2	C(CN[5]O)(CHHS)(NCH)(H)	H(CCHS)	108.2130	0.008	2	108.2130	0.000	2	108.2963	0.073	6	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:S-2:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(SS)(H)2	C(CN[5]O)(CHHS)(NCH)(H)	H(CCHS)	C(CCHN)(SS)(H)2	C(CN[5]O)(CHHS)(NCH)(H)	H(CCHS)	108.3380	0.339	4	108.3380	0.115	4	108.2963	0.073	6	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(SC[6a])(H)2	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	H(CCHS)	C(CC[6a]CH)(SC[6a])(H)2	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	H(CCHS)	108.7595	0.021	2	108.7595	0.000	2	108.7595	0.000	2	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:S-2:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(SC)(H)2	C(N[5]C[5]2)(CHHS)(COO)(H)	H(CCHS)	C(CN[5]CH)(SC)(H)2	C(N[5]C[5]2)(CHHS)(COO)(H)	H(CCHS)	108.0570	0.014	2	108.0570	0.000	2	108.0570	0.000	2	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:1:	4:	C-4:Se-2:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(SeC[6a])(H)2	C(C[6a]C[6a]2)(CSeHH)(CCC)(H)	H(CSeCH)	C(CC[6a]CH)(SeC[6a])(H)2	C(C[6a]C[6a]2)(CSeHH)(CCC)(H)	H(CSeCH)	109.1585	0.006	2	109.1585	0.000	2	109.1585	0.000	2	109.3973	0.530	117	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:2:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	H(CCHN)	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	H(CCHN)	109.5245	0.018	2	109.5245	0.000	2	109.5245	0.000	2	110.1212	0.214	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	H(CCHO)	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(COO)(OH)	H(CCHO)	110.4195	0.011	4	110.4195	0.000	4	110.4195	0.000	4	110.1212	0.214	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:3:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(CC[6a]CN)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	H(CCCH)	C(CC[6a]CN)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	H(CCCH)	109.4535	0.040	2	109.4535	0.002	2	109.4535	0.002	2	109.8250	0.153	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:3:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-3:C-3:	C-4:	C(CC[5a]CC)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(CCO)(COO)	H(CCHO)	C(CC[5a]CC)(OC)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(CCO)(COO)	H(CCHO)	110.3050	0.007	2	110.3050	0.000	2	110.3050	0.000	2	109.8250	0.153	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:3:3:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:N-3:N-3:	C-4:	C(CN[5a]NN)(OH)(H)2	C(N[5a]N[5a]2)(CHHO)(NOO)2	H(CCHO)	C(CN[5a]NN)(OH)(H)2	C(N[5a]N[5a]2)(CHHO)(NOO)2	H(CCHO)	109.7165	0.029	2	109.7165	0.001	2	109.7165	0.001	2	109.8250	0.153	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:Br-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(BrPt)(H)2	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	H(CBrCH)	C(CC[6a]CH)(BrPt)(H)2	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	H(CBrCH)	108.0235	0.026	2	108.0235	0.001	2	108.0235	0.001	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.9303	0.187	4	108.9303	0.035	4	108.9805	0.027	6	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	H(CCCH)	109.0810	0.007	2	109.0810	0.000	2	108.9805	0.027	6	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:H-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(HEu)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(HEu)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	109.4445	0.019	2	109.4445	0.000	2	109.4579	0.003	10	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:H-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(HNi)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(HNi)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	109.4695	0.053	2	109.4695	0.003	2	109.4579	0.003	10	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:H-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(HSm)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(HSm)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	109.4668	0.082	4	109.4668	0.007	4	109.4579	0.003	10	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:H-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(HYb)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	C(CC[6a]CH)(HYb)(H)2	C(C[6a]C[6a]2)(CH3)2(H)	H(CCHH)	109.4420	0.004	2	109.4420	0.000	2	109.4579	0.003	10	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:C-4:Br-1:	C-4:	C(CC[6]BrC)(NN)(H)2	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	H(CCHN)	C(CC[6]BrC)(NN)(H)2	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	H(CCHN)	109.6850	0.045	2	109.6850	0.002	2	109.6850	0.002	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CC[6]O)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CC[6]O)(CHHO)(CH3)(H)	H(CCHO)	109.9480	0.000	1	109.9480	0.000	1	109.3602	0.110	5	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6]H)(CCCO)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6]H)(CCCO)(CHHO)(H)	H(CCHO)	109.2545	0.018	2	109.2545	0.000	2	109.3602	0.110	5	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]O)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]O)(CHHO)(CH3)(H)	H(CCHO)	109.1720	0.014	2	109.1720	0.000	2	109.3602	0.110	5	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:N-4:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	H(CCHO)	110.0945	0.043	2	110.0945	0.002	2	110.0945	0.002	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(CH3)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2)(CHHO)(CH3)(H)	H(CCHO)	109.1261	0.319	10	109.1261	0.102	10	109.1261	0.102	10	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	H(CCHO)	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	H(CCHO)	109.6430	0.057	4	109.6430	0.003	4	109.7918	0.206	11	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHO)	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHO)	110.0210	0.037	2	110.0210	0.001	2	109.7918	0.206	11	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	H(CCHO)	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	H(CCHO)	110.3010	0.024	2	110.3010	0.001	2	109.7918	0.206	11	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(OH)(H)2	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	H(CCHO)	C(CC[5a]CH)(OH)(H)2	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	H(CCHO)	109.0760	0.112	2	109.0760	0.012	2	109.7918	0.206	11	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	H(CCHO)	C(CC[5a]CH)(OS)(H)2	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	H(CCHO)	110.3420	0.000	1	110.3420	0.000	1	109.7918	0.206	11	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OSi)(H)2	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OSi)(H)2	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	H(CCHO)	110.1070	0.038	2	110.1070	0.001	2	110.1070	0.001	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:F-1:	C-4:	C(CC[6a]CF)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	H(CCHO)	C(CC[6a]CF)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	H(CCHO)	109.1923	0.353	4	109.1923	0.125	4	109.1923	0.125	4	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	H(CCHO)	109.0160	0.000	1	109.0160	0.000	1	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	H(CCHO)	110.3305	0.937	2	110.3305	0.878	2	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	H(CCHO)	109.9733	0.318	4	109.9733	0.101	4	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHO)	109.2560	0.007	2	109.2560	0.000	2	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	H(CCHO)	110.4290	0.034	2	110.4290	0.001	2	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	H(CCHO)	109.0160	0.028	2	109.0160	0.001	2	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	H(CCHO)	109.4338	0.559	5	109.4338	0.313	5	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHO)	109.4860	0.040	2	109.4860	0.002	2	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	H(CCHO)	109.3628	0.687	4	109.3628	0.472	4	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	H(CCHO)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	H(CCHO)	109.0375	0.030	2	109.0375	0.001	2	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6a]CH)(OS)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	H(CCHO)	110.0310	0.037	2	110.0310	0.001	2	109.5965	0.352	28	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C-4:	C(CC[6a]CO)(OS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	H(CCHO)	C(CC[6a]CO)(OS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	H(CCHO)	110.1625	0.074	2	110.1625	0.006	2	110.1625	0.006	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	H(CCHO)	110.0415	0.039	2	110.0415	0.002	2	109.8685	0.081	8	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	H(CCHO)	109.9958	0.148	4	109.9958	0.022	4	109.8685	0.081	8	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	H(CCHO)	109.4410	0.109	2	109.4410	0.012	2	109.8685	0.081	8	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:	C(CC[6a]C[3]H)(OC)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	H(CCHO)	C(CC[6a]C[3]H)(OC)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	H(CCHO)	109.3813	0.173	7	109.3813	0.030	7	109.3813	0.030	7	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	H(CCHO)	C(CC[6a]HN)(OH)(H)2	C(C[6a]C[6a]2)(NPdCH)(CHHO)(H)	H(CCHO)	110.3070	0.006	2	110.3070	0.000	2	110.3070	0.000	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	H(CCHO)	C(CC[6a]N[6]H)(OH)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	H(CCHO)	109.1640	0.010	2	109.1640	0.000	2	109.1640	0.000	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	H(CCHO)	109.2927	0.228	4	109.2927	0.052	4	109.6945	2.333	22	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NC[6]2)(CHHO)2(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NC[6]2)(CHHO)2(H)	H(CCHO)	109.5702	0.359	6	109.5702	0.129	6	109.6945	2.333	22	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NC[6a]C)(CHHO)(CH3)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NC[6a]C)(CHHO)(CH3)(H)	H(CCHO)	111.7122	2.960	4	111.7122	8.762	4	109.6945	2.333	22	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	H(CCHO)	108.9797	0.339	8	108.9797	0.115	8	109.6945	2.333	22	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCHO)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCHO)	110.1510	0.017	2	110.1510	0.000	2	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	H(CCHO)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	H(CCHO)	108.7375	0.009	2	108.7375	0.000	2	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	H(CCHO)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	H(CCHO)	109.3405	0.028	2	109.3405	0.001	2	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	H(CCHO)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	H(CCHO)	110.3940	0.014	2	110.3940	0.000	2	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OC[5])(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	H(CCHO)	C(CN[5]CH)(OC[5])(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	H(CCHO)	110.9280	0.021	2	110.9280	0.000	2	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	H(CCHO)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	H(CCHO)	108.7620	0.045	2	108.7620	0.002	2	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	H(CCHO)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	H(CCHO)	107.6512	2.933	6	107.6512	8.602	6	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCHO)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCHO)	109.6800	0.000	1	109.6800	0.000	1	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	109.1930	0.119	2	109.1930	0.014	2	109.0761	3.441	21	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHO)	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	H(CCHO)	109.1513	0.033	4	109.1513	0.001	4	109.4078	0.777	16	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	H(CCHO)	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	H(CCHO)	109.1350	0.010	2	109.1350	0.000	2	109.4078	0.777	16	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	109.5650	1.105	10	109.5650	1.221	10	109.4078	0.777	16	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	H(CCHO)	108.6395	1.453	2	108.6395	2.112	2	109.3531	0.291	14	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(CH3)(H)	H(CCHO)	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)(CH3)(H)	H(CCHO)	109.4325	0.047	4	109.4325	0.002	4	109.3531	0.291	14	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)2(H)	H(CCHO)	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)2(H)	H(CCHO)	109.4919	0.259	8	109.4919	0.067	8	109.3531	0.291	14	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	H(CCHO)	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	H(CCHO)	108.7840	0.017	2	108.7840	0.000	2	108.7840	0.000	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:S-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(SH)(H)2	C(CN[5]O)(CHHS)(CH3)(H)	H(CCHS)	C(CCCH)(SH)(H)2	C(CN[5]O)(CHHS)(CH3)(H)	H(CCHS)	110.5855	2.254	2	110.5855	5.078	2	109.2028	1.467	8	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:S-2:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(SS)(H)2	C(CN[5]O)(CHHS)(CH3)(H)	H(CCHS)	C(CCCH)(SS)(H)2	C(CN[5]O)(CHHS)(CH3)(H)	H(CCHS)	108.7418	0.137	6	108.7418	0.019	6	109.2028	1.467	8	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(SC[6a])(H)2	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	H(CCHS)	C(CC[6a]CH)(SC[6a])(H)2	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	H(CCHS)	109.4293	0.109	12	109.4293	0.012	12	109.4293	0.012	12	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:S-2:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(SC[6a])(H)2	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	H(CCHS)	C(CN[5a]CH)(SC[6a])(H)2	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	H(CCHS)	109.6820	0.006	2	109.6820	0.000	2	109.6820	0.000	2	109.4423	0.896	200	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	C(CC[6a]CO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	108.8650	0.822	2	108.8650	0.675	2	108.8650	0.675	2	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	H(CCHN)	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	H(CCHN)	108.3230	2.143	2	108.3230	4.590	2	108.3230	4.590	2	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:P-4:O-2:	C-4:	C(CC[6a]OP)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	H(CCHN)	C(CC[6a]OP)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	H(CCHN)	109.8197	0.043	4	109.8197	0.002	4	109.8197	0.002	4	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	H(CCHO)	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	H(CCHO)	108.7343	1.871	4	108.7343	3.499	4	109.5692	6.070	19	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	H(CCHO)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	H(CCHO)	108.8799	0.217	8	108.8799	0.047	8	109.5692	6.070	19	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	H(CCHO)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	H(CCHO)	109.1582	0.099	4	109.1582	0.010	4	109.5692	6.070	19	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	H(CCHO)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	H(CCHO)	115.3105	4.924	2	115.3105	24.242	2	109.5692	6.070	19	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	H(CCHO)	C(CC[6a]CO)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	H(CCHO)	108.5850	0.000	1	108.5850	0.000	1	109.5692	6.070	19	109.4619	4.560	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:3:	4:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(CC)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	H(CCCH)	C(CC[5a]CC)(CC)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	H(CCCH)	109.2133	0.111	8	109.2133	0.012	8	109.2133	0.012	8	109.5151	0.102	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:3:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	H(CCHN)	C(CC[6a]CN)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	H(CCHN)	109.7765	0.018	2	109.7765	0.000	2	109.7765	0.000	2	109.5151	0.102	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-3:C-4:C-4:C-3:	C-4:	C(CC3)(OC)(H)2	C(CC[6a]C)(CCHH)(CHHO)(COO)	H(CCHO)	C(CC3)(OC)(H)2	C(CC[6a]C)(CCHH)(CHHO)(COO)	H(CCHO)	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.5151	0.102	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:3:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(CCH)	H(CCHO)	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CF3)(CCH)	H(CCHO)	109.7810	0.037	2	109.7810	0.001	2	109.8438	0.004	6	109.5151	0.102	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:3:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	H(CCHO)	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	H(CCHO)	109.8752	0.052	4	109.8752	0.003	4	109.8438	0.004	6	109.5151	0.102	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	H(CCCH)	C(CC[5a]CC)(CN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	H(CCCH)	108.7757	0.112	3	108.7757	0.013	3	108.7757	0.013	3	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:Cl-2:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(ClPt)(H)2	C(C[6]C[6]N[6])(CClHH)(CH3)2	H(CClCH)	C(CC[6]CC)(ClPt)(H)2	C(C[6]C[6]N[6])(CClHH)(CH3)2	H(CClCH)	108.7260	0.052	2	108.7260	0.003	2	108.7260	0.003	2	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:H-2:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(HCa)(H)2	C(C[6]C[6]2)(CH3)3	H(CCHH)	C(CC[6]CC)(HCa)(H)2	C(C[6]C[6]2)(CH3)3	H(CCHH)	109.4580	0.024	2	109.4580	0.001	2	109.4580	0.001	2	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:H-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(HZr)(H)2	C(C[6a]C[6a]2)(CH3)3	H(CCHH)	C(CC[6a]CC)(HZr)(H)2	C(C[6a]C[6a]2)(CH3)3	H(CCHH)	109.4660	0.020	2	109.4660	0.000	2	109.4660	0.000	2	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	C(CC[6a]CC)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	109.4287	0.025	3	109.4287	0.001	3	109.4287	0.001	3	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	H(CCHO)	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	H(CCHO)	108.4920	0.013	2	108.4920	0.000	2	108.6693	0.042	4	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	H(CCHO)	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	H(CCHO)	108.8465	0.029	2	108.8465	0.001	2	108.6693	0.042	4	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(OH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	H(CCHO)	C(CC[5a]CC)(OH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	H(CCHO)	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	H(CCHO)	C(CC[6a]CC)(OC)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	H(CCHO)	109.8030	0.000	1	109.8030	0.000	1	109.8607	0.402	8	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	H(CCHO)	C(CC[6a]CC)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	H(CCHO)	108.8985	0.013	2	108.8985	0.000	2	109.8607	0.402	8	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	H(CCHO)	C(CC[6a]CC)(ON)(H)2	C(C[6a]C[6a]2)(CHHO)(CH3)2	H(CCHO)	110.3615	0.015	2	110.3615	0.000	2	109.8607	0.402	8	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(OS)(H)2	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	H(CCHO)	C(CC[6a]CC)(OS)(H)2	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	H(CCHO)	110.1877	0.260	3	110.1877	0.068	3	109.8607	0.402	8	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(OH)(H)2	C(NC[6]2)(CHHO)2(CH3)	H(CCHO)	C(CCCN)(OH)(H)2	C(NC[6]2)(CHHO)2(CH3)	H(CCHO)	109.7383	0.119	3	109.7383	0.014	3	109.7383	0.014	3	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(OC)(H)2	C(N[5]C[5]2)(CHHO)(CH3)2	H(CCHO)	C(CN[5]CC)(OC)(H)2	C(N[5]C[5]2)(CHHO)(CH3)2	H(CCHO)	109.8524	0.121	5	109.8524	0.015	5	109.0774	1.000	9	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(OH)(H)2	C(N[5]Se[5]C[5])(CHHO)(CH3)2	H(CCHO)	C(CN[5]CC)(OH)(H)2	C(N[5]Se[5]C[5])(CHHO)(CH3)2	H(CCHO)	108.1088	0.628	4	108.1088	0.395	4	109.0774	1.000	9	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	H(CCHO)	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	H(CCHO)	109.1670	0.011	2	109.1670	0.000	2	108.6715	2.532	8	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	H(CCHO)	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	H(CCHO)	109.0505	0.029	2	109.0505	0.001	2	108.6715	2.532	8	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	H(CCHO)	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	H(CCHO)	108.2343	2.322	4	108.2343	5.394	4	108.6715	2.532	8	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(OC[6])(H)2	C(N[6]C[6,6a]2)(CHHO)(CH3)2	H(CCHO)	C(CN[6]CC)(OC[6])(H)2	C(N[6]C[6,6a]2)(CHHO)(CH3)2	H(CCHO)	108.5765	0.011	2	108.5765	0.000	2	108.5765	0.000	2	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	3:4:4:4:	4:	C-4:O-2:H-1:H-1:	O[4]-3:C-4:C-4:C-4:	C-4:	C(CO[4]CC)(OC)(H)2	C(O[4]In[4]2)(CHHO)(CH3)2	H(CCHO)	C(CO[4]CC)(OC)(H)2	C(O[4]In[4]2)(CHHO)(CH3)2	H(CCHO)	110.1960	0.040	2	110.1960	0.002	2	110.1960	0.002	2	109.1913	0.850	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-1:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCHH)(C)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCHH)(C)(H)2	H(CCCH)	109.5145	0.030	2	109.5145	0.001	2	109.5145	0.001	2	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CC)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CC)(H)2	C(CCHH)(H)3	H(CCCH)	106.7898	5.335	22	106.7898	28.457	22	108.5790	7.060	111	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CMo)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CMo)(H)2	C(CCHH)(H)3	H(CCCH)	107.6455	0.021	4	107.6455	0.000	4	108.5790	7.060	111	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CN)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CN)(H)2	C(CCHH)(H)3	H(CCCH)	109.0587	0.991	83	109.0587	0.983	83	108.5790	7.060	111	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CO)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CO)(H)2	C(CCHH)(H)3	H(CCCH)	110.2185	0.035	2	110.2185	0.001	2	108.5790	7.060	111	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.5720	0.139	2	109.5720	0.019	2	109.5720	0.019	2	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(NC)(H)2	C(CHHN)(F)3	H(CCHN)	C(CF3)(NC)(H)2	C(CHHN)(F)3	H(CCHN)	108.2730	2.807	2	108.2730	7.880	2	108.2730	7.880	2	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NC)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NC)(H)2	C(CHHN)(H)3	H(CCHN)	108.9788	3.827	61	108.9788	14.643	61	109.0230	14.231	63	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NMo)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NMo)(H)2	C(CHHN)(H)3	H(CCHN)	110.3690	0.000	2	110.3690	0.000	2	109.0230	14.231	63	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(H)2(N)	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(H)2(N)	H(CCHN)	109.4305	0.442	4	109.4305	0.195	4	109.4305	0.195	4	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	H(CCHO)	C(CBrHH)(OC)(H)2	C(CHHO)(Br)(H)2	H(CCHO)	110.4086	2.777	25	110.4086	7.712	25	110.3526	6.633	29	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(OC[6])(H)2	C(CHHO)(Br)(H)2	H(CCHO)	C(CBrHH)(OC[6])(H)2	C(CHHO)(Br)(H)2	H(CCHO)	110.0028	0.124	4	110.0028	0.015	4	110.3526	6.633	29	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	H(CCHO)	C(CCl3)(OC)(H)2	C(CHHO)(Cl)3	H(CCHO)	109.6074	0.808	40	109.6074	0.653	40	109.7486	0.687	97	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	H(CCHO)	C(CCl3)(OS)(H)2	C(CHHO)(Cl)3	H(CCHO)	109.8478	0.836	57	109.8478	0.699	57	109.7486	0.687	97	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	C(CClHH)(OC)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	110.4679	1.447	21	110.4679	2.095	21	110.0883	1.308	47	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(OC[5])(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	C(CClHH)(OC[5])(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	109.7830	1.529	2	109.7830	2.337	2	110.0883	1.308	47	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(OC[6])(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	C(CClHH)(OC[6])(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	109.6475	1.585	4	109.6475	2.511	4	110.0883	1.308	47	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(OP)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	C(CClHH)(OP)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	109.7786	0.371	19	109.7786	0.138	19	110.0883	1.308	47	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(OS)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	C(CClHH)(OS)(H)2	C(CHHO)(Cl)(H)2	H(CCHO)	110.3720	0.000	1	110.3720	0.000	1	110.0883	1.308	47	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(OB)(H)2	C(CHHO)(F)3	H(CCHO)	C(CF3)(OB)(H)2	C(CHHO)(F)3	H(CCHO)	109.6386	0.193	10	109.6386	0.037	10	109.9440	0.464	324	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(OC)(H)2	C(CHHO)(F)3	H(CCHO)	C(CF3)(OC)(H)2	C(CHHO)(F)3	H(CCHO)	109.9522	0.758	76	109.9522	0.575	76	109.9440	0.464	324	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(OCo)(H)2	C(CHHO)(F)3	H(CCHO)	C(CF3)(OCo)(H)2	C(CHHO)(F)3	H(CCHO)	109.0545	0.018	2	109.0545	0.000	2	109.9440	0.464	324	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(OH)(H)2	C(CHHO)(F)3	H(CCHO)	C(CF3)(OH)(H)2	C(CHHO)(F)3	H(CCHO)	109.1419	0.990	39	109.1419	0.979	39	109.9440	0.464	324	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(OP)(H)2	C(CHHO)(F)3	H(CCHO)	C(CF3)(OP)(H)2	C(CHHO)(F)3	H(CCHO)	110.1376	0.419	191	110.1376	0.176	191	109.9440	0.464	324	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(ORu)(H)2	C(CHHO)(F)3	H(CCHO)	C(CF3)(ORu)(H)2	C(CHHO)(F)3	H(CCHO)	109.2270	0.017	2	109.2270	0.000	2	109.9440	0.464	324	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(OS)(H)2	C(CHHO)(F)3	H(CCHO)	C(CF3)(OS)(H)2	C(CHHO)(F)3	H(CCHO)	109.9295	0.026	4	109.9295	0.001	4	109.9440	0.464	324	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	H(CCHO)	C(CFFH)(OC)(H)2	C(CHHO)(F)2(H)	H(CCHO)	110.1780	0.471	18	110.1780	0.222	18	110.0867	0.223	24	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CFFH)(OH)(H)2	C(CHHO)(F)2(H)	H(CCHO)	C(CFFH)(OH)(H)2	C(CHHO)(F)2(H)	H(CCHO)	109.8130	0.392	6	109.8130	0.154	6	110.0867	0.223	24	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(OC)(H)2	C(CHHO)(F)(H)2	H(CCHO)	C(CFHH)(OC)(H)2	C(CHHO)(F)(H)2	H(CCHO)	109.5577	1.173	6	109.5577	1.375	6	109.6904	1.043	8	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(OPd)(H)2	C(CHHO)(F)(H)2	H(CCHO)	C(CFHH)(OPd)(H)2	C(CHHO)(F)(H)2	H(CCHO)	110.0885	0.076	2	110.0885	0.006	2	109.6904	1.043	8	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OAl)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OAl)(H)2	C(CHHO)(H)3	H(CCHO)	109.2855	0.382	4	109.2855	0.146	4	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OB)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OB)(H)2	C(CHHO)(H)3	H(CCHO)	109.8964	0.325	5	109.8964	0.106	5	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OC)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OC)(H)2	C(CHHO)(H)3	H(CCHO)	109.9451	1.294	15524	109.9451	1.675	15524	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OCa)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OCa)(H)2	C(CHHO)(H)3	H(CCHO)	108.3620	0.025	2	108.3620	0.001	2	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OCu)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OCu)(H)2	C(CHHO)(H)3	H(CCHO)	108.7591	0.990	7	108.7591	0.979	7	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OFe)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OFe)(H)2	C(CHHO)(H)3	H(CCHO)	109.4903	0.154	3	109.4903	0.024	3	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OH)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OH)(H)2	C(CHHO)(H)3	H(CCHO)	108.9730	2.000	1720	108.9730	3.999	1720	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OMn)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OMn)(H)2	C(CHHO)(H)3	H(CCHO)	107.1555	1.752	6	107.1555	3.070	6	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OMo)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OMo)(H)2	C(CHHO)(H)3	H(CCHO)	110.1043	4.621	4	110.1043	21.357	4	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(ON)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(ON)(H)2	C(CHHO)(H)3	H(CCHO)	110.1069	0.513	18	110.1069	0.263	18	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(ONb)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(ONb)(H)2	C(CHHO)(H)3	H(CCHO)	109.1120	0.028	2	109.1120	0.001	2	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(ONi)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(ONi)(H)2	C(CHHO)(H)3	H(CCHO)	109.3964	1.066	8	109.3964	1.136	8	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OO)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OO)(H)2	C(CHHO)(H)3	H(CCHO)	110.5407	0.469	6	110.5407	0.220	6	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OP)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OP)(H)2	C(CHHO)(H)3	H(CCHO)	109.5624	1.267	1701	109.5624	1.606	1701	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OPt)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OPt)(H)2	C(CHHO)(H)3	H(CCHO)	109.5850	0.037	2	109.5850	0.001	2	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(ORe)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(ORe)(H)2	C(CHHO)(H)3	H(CCHO)	108.8386	0.737	8	108.8386	0.543	8	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(ORu)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(ORu)(H)2	C(CHHO)(H)3	H(CCHO)	109.6930	0.568	4	109.6930	0.323	4	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OS)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OS)(H)2	C(CHHO)(H)3	H(CCHO)	110.5397	3.026	23	110.5397	9.157	23	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OSb)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OSb)(H)2	C(CHHO)(H)3	H(CCHO)	109.9175	2.863	21	109.9175	8.197	21	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OSi)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OSi)(H)2	C(CHHO)(H)3	H(CCHO)	109.3114	0.953	38	109.3114	0.907	38	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OSn)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OSn)(H)2	C(CHHO)(H)3	H(CCHO)	110.2017	0.821	23	110.2017	0.674	23	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OTi)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OTi)(H)2	C(CHHO)(H)3	H(CCHO)	109.5200	0.014	2	109.5200	0.000	2	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OV)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OV)(H)2	C(CHHO)(H)3	H(CCHO)	109.0420	0.025	2	109.0420	0.001	2	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OZn)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OZn)(H)2	C(CHHO)(H)3	H(CCHO)	109.7505	0.720	4	109.7505	0.518	4	109.8211	1.976	19137	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CHHI)(OC)(H)2	C(CHHO)(H)2(I)	H(CCHO)	C(CHHI)(OC)(H)2	C(CHHO)(H)2(I)	H(CCHO)	109.5456	0.246	5	109.5456	0.061	5	109.5456	0.061	5	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(H)2(O)	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(H)2(O)	H(CCHO)	109.1798	2.083	4	109.1798	4.340	4	109.4748	1.972	8	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(OPt)(H)2	C(CHHO)(H)2(O)	H(CCHO)	C(CHHO)(OPt)(H)2	C(CHHO)(H)2(O)	H(CCHO)	109.7698	0.173	4	109.7698	0.030	4	109.4748	1.972	8	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:P-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PO)(H)2	C(CHHP)(H)3	H(CCHP)	C(CH3)(PO)(H)2	C(CHHP)(H)3	H(CCHP)	91.8165	1.856	2	91.8165	3.446	2	91.8165	3.446	2	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(SC[5])(H)2	C(CHHS)(Br)(H)2	H(CCHS)	C(CBrHH)(SC[5])(H)2	C(CHHS)(Br)(H)2	H(CCHS)	109.3667	0.090	6	109.3667	0.008	6	109.3667	0.008	6	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(SC)(H)2	C(CHHS)(Cl)(H)2	H(CCHS)	C(CClHH)(SC)(H)2	C(CHHS)(Cl)(H)2	H(CCHS)	109.1325	0.011	2	109.1325	0.000	2	109.1325	0.000	2	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(SC)(H)2	C(CHHS)(F)3	H(CCHS)	C(CF3)(SC)(H)2	C(CHHS)(F)3	H(CCHS)	108.7485	0.390	6	108.7485	0.152	6	108.9338	0.123	11	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(STi)(H)2	C(CHHS)(F)3	H(CCHS)	C(CF3)(STi)(H)2	C(CHHS)(F)3	H(CCHS)	109.1562	0.055	5	109.1562	0.003	5	108.9338	0.123	11	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SB)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SB)(H)2	C(CHHS)(H)3	H(CCHS)	109.3523	0.438	23	109.3523	0.192	23	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SC)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SC)(H)2	C(CHHS)(H)3	H(CCHS)	109.3988	1.104	172	109.3988	1.218	172	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SFe)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SFe)(H)2	C(CHHS)(H)3	H(CCHS)	109.5312	2.474	27	109.5312	6.121	27	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SIn)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SIn)(H)2	C(CHHS)(H)3	H(CCHS)	108.6705	0.103	2	108.6705	0.011	2	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SMo)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SMo)(H)2	C(CHHS)(H)3	H(CCHS)	109.0838	0.304	6	109.0838	0.093	6	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SNi)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SNi)(H)2	C(CHHS)(H)3	H(CCHS)	109.0075	0.040	2	109.0075	0.002	2	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SP)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SP)(H)2	C(CHHS)(H)3	H(CCHS)	110.0840	0.000	1	110.0840	0.000	1	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SPd)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SPd)(H)2	C(CHHS)(H)3	H(CCHS)	109.0520	0.000	1	109.0520	0.000	1	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SPt)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SPt)(H)2	C(CHHS)(H)3	H(CCHS)	108.8525	0.011	2	108.8525	0.000	2	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SRe)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SRe)(H)2	C(CHHS)(H)3	H(CCHS)	109.3670	1.182	6	109.3670	1.398	6	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SS)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SS)(H)2	C(CHHS)(H)3	H(CCHS)	108.8760	0.000	1	108.8760	0.000	1	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SZn)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SZn)(H)2	C(CHHS)(H)3	H(CCHS)	109.0773	2.685	4	109.0773	7.209	4	109.3811	1.646	247	109.8067	2.053	20131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	107.8307	1.284	10	107.8307	1.649	10	108.5265	1.496	23	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.0600	0.975	11	109.0600	0.950	11	108.5265	1.496	23	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CRe)(H)2	C(CCHH)(CRe)(H)2	H(CCCH)	C(CCHH)(CRe)(H)2	C(CCHH)(CRe)(H)2	H(CCCH)	109.0710	0.017	2	109.0710	0.000	2	108.5265	1.496	23	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CC)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CC)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.4734	0.360	7	109.4734	0.130	7	109.4298	2.966	16	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.1013	0.302	7	109.1013	0.091	7	109.4298	2.966	16	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CH)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	110.4270	6.357	2	110.4270	40.410	2	109.4298	2.966	16	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CN)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHS)(CN)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.7565	0.021	2	108.7565	0.000	2	108.7565	0.000	2	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.6599	0.422	186	109.6599	0.178	186	109.6623	0.189	201	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	109.4913	0.134	4	109.4913	0.018	4	109.6623	0.189	201	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.5690	0.644	6	109.5690	0.414	6	109.6623	0.189	201	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	109.9988	0.723	5	109.9988	0.523	5	109.6623	0.189	201	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.3018	0.115	5	109.3018	0.013	5	109.3541	1.068	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.7111	0.844	20	109.7111	0.713	20	109.3541	1.068	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC)(H)2	C(CHHN)(ON)(H)2	H(CCHN)	C(CHHO)(NC)(H)2	C(CHHN)(ON)(H)2	H(CCHN)	109.1030	0.014	2	109.1030	0.000	2	109.3541	1.068	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	C(CHHO)(NC)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	108.8462	0.243	4	108.8462	0.059	4	109.3541	1.068	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NN)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NN)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.1378	0.823	14	109.1378	0.677	14	109.3541	1.068	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NN)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	C(CHHO)(NN)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	109.1893	2.014	8	109.1893	4.055	8	109.3541	1.068	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NC)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NC)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.9607	0.397	3	108.9607	0.158	3	109.3809	0.222	7	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NC)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	C(CHHS)(NC)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	109.5480	0.035	2	109.5480	0.001	2	109.3809	0.222	7	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NFe)(H)2	C(CHHN)(SFe)(H)2	H(CCHN)	C(CHHS)(NFe)(H)2	C(CHHN)(SFe)(H)2	H(CCHN)	109.8440	0.030	2	109.8440	0.001	2	109.3809	0.222	7	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	109.8226	0.349	8	109.8226	0.122	8	109.2282	3.255	17	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CH)(H)2	H(CCHO)	106.9325	6.134	2	106.9325	37.628	2	109.2282	3.255	17	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CC)(H)2	H(CCHO)	109.2049	0.193	7	109.2049	0.037	7	109.2282	3.255	17	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	109.8432	0.215	6	109.8432	0.046	6	109.5440	0.861	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	110.0488	0.132	13	110.0488	0.018	13	109.5440	0.861	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	109.1382	0.507	20	109.1382	0.257	20	109.5440	0.861	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(ON)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	C(CHHN)(ON)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	108.9170	0.038	2	108.9170	0.001	2	109.5440	0.861	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(OP)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	C(CHHN)(OP)(H)2	C(CHHO)(NC)(H)2	H(CCHO)	110.0550	0.247	4	110.0550	0.061	4	109.5440	0.861	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(OP)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	C(CHHN)(OP)(H)2	C(CHHO)(NN)(H)2	H(CCHO)	109.4146	2.076	8	109.4146	4.310	8	109.5440	0.861	53	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:F-1:F-1:	C-4:	C(CFFO)(OH)(H)2	C(CHHO)(OC)(F)2	H(CCHO)	C(CFFO)(OH)(H)2	C(CHHO)(OC)(F)2	H(CCHO)	109.6213	0.092	3	109.6213	0.008	3	109.6213	0.008	3	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OB)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OB)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.3890	0.028	2	109.3890	0.001	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OB)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OB)(H)2	H(CCHO)	108.7090	0.004	2	108.7090	0.000	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.6868	0.999	9210	109.6868	0.997	9210	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OGa)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OGa)(H)2	H(CCHO)	109.8625	0.028	2	109.8625	0.001	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	109.8776	1.009	96	109.8776	1.018	96	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	109.5020	0.140	2	109.5020	0.020	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OP)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OP)(H)2	H(CCHO)	109.7958	0.329	5	109.7958	0.108	5	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OS)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OS)(H)2	H(CCHO)	109.3746	1.433	8	109.3746	2.053	8	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OFe)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(CHHO)(OFe)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	109.7090	0.028	2	109.7090	0.001	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OGa)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OGa)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.7215	0.035	2	109.7215	0.001	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.1019	0.964	92	109.1019	0.929	92	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(CHHO)(OFe)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(CHHO)(OFe)(H)2	H(CCHO)	109.8920	0.010	2	109.8920	0.000	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	109.0489	1.416	133	109.0489	2.004	133	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(CHHO)(ORu)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(CHHO)(ORu)(H)2	H(CCHO)	108.7465	0.029	2	108.7465	0.001	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(ON)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(ON)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.2995	0.088	4	109.2995	0.008	4	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	C(CHHO)(ON)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	109.0378	0.470	148	109.0378	0.221	148	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OP)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OP)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	110.0566	0.255	5	110.0566	0.065	5	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	H(CCHO)	C(CHHO)(OP)(H)2	C(CHHO)(OP)(H)2	H(CCHO)	109.3215	0.621	56	109.3215	0.386	56	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(ORu)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(CHHO)(ORu)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	108.5575	0.006	2	108.5575	0.000	2	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OS)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OS)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	110.9348	1.374	8	110.9348	1.888	8	109.6628	1.011	9783	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(OB)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	C(CHHS)(OB)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	109.4305	0.021	2	109.4305	0.000	2	109.7817	0.331	166	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	109.7884	0.538	132	109.7884	0.289	132	109.7817	0.331	166	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SS)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SS)(H)2	H(CCHO)	109.5358	0.595	12	109.5358	0.354	12	109.7817	0.331	166	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	109.8008	0.980	10	109.8008	0.960	10	109.7817	0.331	166	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	C(CHHS)(OP)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	110.2559	0.298	8	110.2559	0.089	8	109.7817	0.331	166	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SNi)(H)2	H(CCHO)	C(CHHS)(OP)(H)2	C(CHHO)(SNi)(H)2	H(CCHO)	109.1740	0.004	2	109.1740	0.000	2	109.7817	0.331	166	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(OC)(H)2	C(CHHO)(SeC)(H)2	H(CCHO)	C(CSeHH)(OC)(H)2	C(CHHO)(SeC)(H)2	H(CCHO)	110.0854	0.201	19	110.0854	0.041	19	110.0854	0.041	19	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	108.8950	0.103	2	108.8950	0.011	2	108.8950	0.011	2	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NC)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NC)(H)2	H(CCHS)	109.1388	0.581	4	109.1388	0.337	4	109.1324	0.155	8	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(SFe)(H)2	C(CHHS)(NFe)(H)2	H(CCHS)	C(CHHN)(SFe)(H)2	C(CHHS)(NFe)(H)2	H(CCHS)	108.9915	0.013	2	108.9915	0.000	2	109.1324	0.155	8	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(SS)(H)2	C(CHHS)(NC)(H)2	H(CCHS)	C(CHHN)(SS)(H)2	C(CHHS)(NC)(H)2	H(CCHS)	109.2605	0.047	2	109.2605	0.002	2	109.1324	0.155	8	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SC)(H)2	C(CHHS)(OB)(H)2	H(CCHS)	C(CHHO)(SC)(H)2	C(CHHS)(OB)(H)2	H(CCHS)	108.1635	0.030	2	108.1635	0.001	2	108.7188	0.460	162	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.6406	0.677	130	108.6406	0.458	130	108.7188	0.460	162	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SC)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(CHHO)(SC)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	109.3358	0.641	10	109.3358	0.411	10	108.7188	0.460	162	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SC)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	C(CHHO)(SC)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	109.2679	0.497	7	109.2679	0.247	7	108.7188	0.460	162	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SNi)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	C(CHHO)(SNi)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	108.4545	0.022	2	108.4545	0.000	2	108.7188	0.460	162	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SS)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SS)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.8809	0.440	11	108.8809	0.193	11	108.7188	0.460	162	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	109.0105	1.942	378	109.0105	3.770	378	109.0284	3.398	422	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SFe)(H)2	C(CHHS)(SFe)(H)2	H(CCHS)	C(CHHS)(SFe)(H)2	C(CHHS)(SFe)(H)2	H(CCHS)	109.0873	0.141	3	109.0873	0.020	3	109.0284	3.398	422	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SH)(H)2	C(CHHS)(SH)(H)2	H(CCHS)	C(CHHS)(SH)(H)2	C(CHHS)(SH)(H)2	H(CCHS)	109.0987	0.096	4	109.0987	0.009	4	109.0284	3.398	422	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SMo)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	C(CHHS)(SMo)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	109.2488	0.356	22	109.2488	0.127	22	109.0284	3.398	422	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SRe)(H)2	C(CHHS)(SRe)(H)2	H(CCHS)	C(CHHS)(SRe)(H)2	C(CHHS)(SRe)(H)2	H(CCHS)	109.1242	0.620	15	109.1242	0.384	15	109.0284	3.398	422	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SeC)(H)2	C(CSeHH)(OC)(H)2	H(CSeCH)	C(CHHO)(SeC)(H)2	C(CSeHH)(OC)(H)2	H(CSeCH)	108.8585	0.417	20	108.8585	0.174	20	108.8585	0.174	20	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(SeP)(H)2	C(CSeHH)(SeP)(H)2	H(CSeCH)	C(CSeHH)(SeP)(H)2	C(CSeHH)(SeP)(H)2	H(CSeCH)	108.5445	0.514	4	108.5445	0.265	4	108.5445	0.265	4	109.6187	1.102	10961	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(OC)(H)2	C(CHHO)(OC)2(H)	H(CCHO)	C(CHOO)(OC)(H)2	C(CHHO)(OC)2(H)	H(CCHO)	110.7500	0.030	2	110.7500	0.001	2	110.7500	0.001	2	110.4653	0.244	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-2:S-2:H-1:	C-4:	C(CHSS)(OC)(H)2	C(CHHO)(SC)2(H)	H(CCHO)	C(CHSS)(OC)(H)2	C(CHHO)(SC)2(H)	H(CCHO)	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	110.4653	0.244	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-2:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[5])(CHHO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[5])(CHHO)(H)	H(CCHO)	108.6710	0.004	2	108.6710	0.000	2	108.6710	0.000	2	109.3425	0.457	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CN[5a]HH)(OC[6a])(CHHO)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CN[5a]HH)(OC[6a])(CHHO)(H)	H(CCHO)	109.0840	0.010	2	109.0840	0.000	2	109.2196	0.258	18	109.3425	0.457	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CC[6a]HO)(OC[6a])(CHHO)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CC[6a]HO)(OC[6a])(CHHO)(H)	H(CCHO)	109.2365	0.538	16	109.2365	0.289	16	109.2196	0.258	18	109.3425	0.457	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(CSeCH)(OC)(H)2	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	H(CCHO)	C(CSeCH)(OC)(H)2	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	H(CCHO)	109.0540	0.025	2	109.0540	0.001	2	109.4155	0.175	4	109.3425	0.457	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(CSeCH)(OC)(H)2	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	H(CCHO)	C(CSeCH)(OC)(H)2	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	H(CCHO)	109.7770	0.011	2	109.7770	0.000	2	109.4155	0.175	4	109.3425	0.457	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:2:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:	C(CC[5]HO)(ON[6])(H)2	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	H(CCHO)	C(CC[5]HO)(ON[6])(H)2	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	H(CCHO)	110.9750	0.021	2	110.9750	0.000	2	110.9750	0.000	2	109.3425	0.457	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.2681	0.115	8	109.2681	0.013	8	109.5111	0.968	22	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.3093	0.264	8	109.3093	0.069	8	109.5111	0.968	22	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0605	0.077	4	109.0605	0.006	4	109.5111	0.968	22	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	C(CCHH)(CH)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	112.1920	1.935	2	112.1920	3.743	2	109.5111	0.968	22	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CC)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CC)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.3616	2.208	5	108.3616	4.873	5	109.0612	0.676	51	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CC)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CHHN)(CC)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.2810	0.027	2	109.2810	0.001	2	109.0612	0.676	51	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.1701	0.579	34	109.1701	0.335	34	109.0612	0.676	51	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.8073	0.186	3	108.8073	0.035	3	109.0612	0.676	51	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.0632	0.100	5	109.0632	0.010	5	109.0612	0.676	51	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	109.1145	0.047	2	109.1145	0.002	2	109.0612	0.676	51	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CN)(H)2	C(CCHH)(SIr2)(H)2	H(CCCH)	C(CHHS)(CN)(H)2	C(CCHH)(SIr2)(H)2	H(CCCH)	109.1877	0.388	4	109.1877	0.151	4	109.1877	0.151	4	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.6970	0.024	2	109.6970	0.001	2	109.1934	0.228	5	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.8577	0.181	3	108.8577	0.033	3	109.1934	0.228	5	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3836	1.127	234	109.3836	1.269	234	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.6732	1.539	39	109.6732	2.368	39	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	110.1810	0.000	1	110.1810	0.000	1	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3092	0.076	4	109.3092	0.006	4	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	104.9540	1.909	2	104.9540	3.645	2	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.6596	0.894	5	109.6596	0.799	5	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.7185	1.483	2	109.7185	2.199	2	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NS)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NS)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.0420	0.008	2	109.0420	0.000	2	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NS)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	C(CHHN)(NS)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	109.5475	0.021	2	109.5475	0.000	2	109.3995	1.513	291	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(CCFH)(OC)(H)2	C(CHHO)(CCH)(F)(H)	H(CCHO)	C(CCFH)(OC)(H)2	C(CHHO)(CCH)(F)(H)	H(CCHO)	110.0594	0.496	13	110.0594	0.246	13	110.0594	0.246	13	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	110.0558	0.229	4	110.0558	0.052	4	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	109.0368	1.917	24	109.0368	3.675	24	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CHH)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CHH)(H)2	H(CCHO)	110.8525	1.419	13	110.8525	2.015	13	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CNO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CNO)(H)2	H(CCHO)	108.8170	0.055	4	108.8170	0.003	4	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(COO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(COO)(H)2	H(CCHO)	110.2720	0.013	2	110.2720	0.000	2	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	109.4282	0.240	6	109.4282	0.058	6	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	109.1870	1.134	2	109.1870	1.286	2	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CCO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CCO)(H)2	H(CCHO)	109.9992	0.058	5	109.9992	0.003	5	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CCS)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CCS)(H)2	H(CCHO)	109.7718	0.804	6	109.7718	0.647	6	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CSiC)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CSiC)(H)2	H(CCHO)	109.9695	0.026	2	109.9695	0.001	2	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OO)(H)2	C(CHHO)(COO)(H)2	H(CCHO)	C(CCHH)(OO)(H)2	C(CHHO)(COO)(H)2	H(CCHO)	108.7010	0.011	2	108.7010	0.000	2	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CHHO)(CCC)(H)2	H(CCHO)	108.8880	0.150	2	108.8880	0.022	2	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CHHO)(CCH)(H)2	H(CCHO)	112.3695	2.310	4	112.3695	5.336	4	109.7653	2.599	76	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.6990	2.269	295	109.6990	5.148	295	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	109.9896	0.639	109	109.9896	0.408	109	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCN)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NCN)(H)2	H(CCHO)	110.3773	0.474	3	110.3773	0.225	3	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	109.7614	0.692	21	109.7614	0.480	21	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCoC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NCoC)(H)2	H(CCHO)	110.1315	0.029	2	110.1315	0.001	2	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	109.9090	0.787	8	109.9090	0.619	8	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NHP)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NHP)(H)2	H(CCHO)	109.8868	0.426	10	109.8868	0.181	10	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NHS)(H)2	H(CCHO)	110.0658	0.136	5	110.0658	0.018	5	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NIrC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NIrC)(H)2	H(CCHO)	109.7925	0.354	4	109.7925	0.126	4	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	109.7102	0.500	6	109.7102	0.250	6	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NPP)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NPP)(H)2	H(CCHO)	109.7965	0.021	2	109.7965	0.000	2	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NPdC)(H)2	H(CCHO)	109.8468	0.239	14	109.8468	0.057	14	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NPtC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NPtC)(H)2	H(CCHO)	108.9389	3.000	11	108.9389	8.999	11	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NRhC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NRhC)(H)2	H(CCHO)	110.0410	0.047	4	110.0410	0.002	4	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NRuC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NRuC)(H)2	H(CCHO)	110.1190	0.071	4	110.1190	0.005	4	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NZnC)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NZnC)(H)2	H(CCHO)	109.7037	0.552	8	109.7037	0.305	8	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OCo)(H)2	C(CHHO)(NCoC)(H)2	H(CCHO)	C(CHHN)(OCo)(H)2	C(CHHO)(NCoC)(H)2	H(CCHO)	110.5640	0.067	4	110.5640	0.004	4	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(OGe)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.5587	0.477	18	109.5587	0.227	18	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.4820	0.505	163	109.4820	0.255	163	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	109.1317	1.493	79	109.1317	2.228	79	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	109.0330	1.140	9	109.0330	1.299	9	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NCuC)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NCuC)(H)2	H(CCHO)	109.1495	0.013	2	109.1495	0.000	2	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NHH)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NHH)(H)2	H(CCHO)	110.9560	0.069	2	110.9560	0.005	2	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	109.0637	0.177	8	109.0637	0.031	8	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	109.0127	0.405	8	109.0127	0.164	8	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NPdC)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NPdC)(H)2	H(CCHO)	109.1275	0.008	2	109.1275	0.000	2	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NPtC)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NPtC)(H)2	H(CCHO)	110.3573	0.820	6	110.3573	0.672	6	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OMo)(H)2	C(CHHO)(NMoC)(H)2	H(CCHO)	C(CHHN)(OMo)(H)2	C(CHHO)(NMoC)(H)2	H(CCHO)	110.1155	0.019	2	110.1155	0.000	2	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(ON)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	C(CHHN)(ON)(H)2	C(CHHO)(NCH)(H)2	H(CCHO)	110.0608	0.863	5	110.0608	0.744	5	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OP)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(OP)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.8960	0.034	2	109.8960	0.001	2	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OS)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	C(CHHN)(OS)(H)2	C(CHHO)(NCS)(H)2	H(CCHO)	110.4606	0.119	8	110.4606	0.014	8	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(OSi)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.8517	0.652	114	109.8517	0.425	114	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OSn)(H)2	C(CHHO)(NSnC)(H)2	H(CCHO)	C(CHHN)(OSn)(H)2	C(CHHO)(NSnC)(H)2	H(CCHO)	109.6284	0.510	5	109.6284	0.260	5	109.6707	2.162	943	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBaC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OBaC)(H)2	H(CCHO)	109.9675	0.029	2	109.9675	0.001	2	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBaH)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OBaH)(H)2	H(CCHO)	109.5875	0.349	4	109.5875	0.122	4	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	108.6410	0.043	3	108.6410	0.002	3	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OBeC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OBeC)(H)2	H(CCHO)	109.7297	0.291	4	109.7297	0.085	4	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	109.1495	1.736	4	109.1495	3.014	4	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OFeC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OFeC)(H)2	H(CCHO)	109.0825	0.037	2	109.0825	0.001	2	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OIrC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OIrC)(H)2	H(CCHO)	109.8752	0.189	4	109.8752	0.036	4	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OLiC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OLiC)(H)2	H(CCHO)	109.6461	0.395	15	109.6461	0.156	15	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	109.8590	0.000	1	109.8590	0.000	1	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	108.9256	0.718	8	108.9256	0.515	8	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OC)(H)2	C(CHHO)(OZnC)(H)2	H(CCHO)	C(CHHO)(OC)(H)2	C(CHHO)(OZnC)(H)2	H(CCHO)	109.6125	0.018	2	109.6125	0.000	2	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCa)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	C(CHHO)(OCa)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	112.0822	1.885	4	112.0822	3.552	4	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OH)(H)2	C(CHHO)(OOs2)(H)2	H(CCHO)	C(CHHO)(OH)(H)2	C(CHHO)(OOs2)(H)2	H(CCHO)	109.5648	0.588	4	109.5648	0.346	4	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(ON)(H)2	C(CHHO)(OCu2)(H)2	H(CCHO)	C(CHHO)(ON)(H)2	C(CHHO)(OCu2)(H)2	H(CCHO)	108.8930	0.262	8	108.8930	0.069	8	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(ON)(H)2	C(CHHO)(ONiH)(H)2	H(CCHO)	C(CHHO)(ON)(H)2	C(CHHO)(ONiH)(H)2	H(CCHO)	108.9125	0.050	4	108.9125	0.003	4	109.5066	0.973	69	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SAgC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SAgC)(H)2	H(CCHO)	109.7647	0.080	3	109.7647	0.006	3	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCN)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SCN)(H)2	H(CCHO)	109.5283	0.701	24	109.5283	0.491	24	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCO)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SCO)(H)2	H(CCHO)	110.1833	0.018	4	110.1833	0.000	4	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCoC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SCoC)(H)2	H(CCHO)	109.8498	0.043	4	109.8498	0.002	4	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SCuC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SCuC)(H)2	H(CCHO)	109.5511	0.899	20	109.5511	0.809	20	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SFe2)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SFe2)(H)2	H(CCHO)	109.6209	0.672	26	109.6209	0.452	26	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SHgC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SHgC)(H)2	H(CCHO)	109.7460	0.495	4	109.7460	0.245	4	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SNiC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SNiC)(H)2	H(CCHO)	110.5573	0.205	6	110.5573	0.042	6	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SPdC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SPdC)(H)2	H(CCHO)	109.8145	0.305	318	109.8145	0.093	318	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SPtC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SPtC)(H)2	H(CCHO)	109.6382	0.068	8	109.6382	0.005	8	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(CHHO)(SSnC)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(CHHO)(SSnC)(H)2	H(CCHO)	109.9520	0.178	7	109.9520	0.032	7	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(CHHO)(SCO)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(CHHO)(SCO)(H)2	H(CCHO)	109.3885	1.840	4	109.3885	3.385	4	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(CHHO)(SFe2)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(CHHO)(SFe2)(H)2	H(CCHO)	109.8750	0.000	1	109.8750	0.000	1	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(CHHO)(SMo2)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(CHHO)(SMo2)(H)2	H(CCHO)	109.6885	0.033	2	109.6885	0.001	2	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(CHHO)(SPdC)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(CHHO)(SPdC)(H)2	H(CCHO)	108.9938	0.214	4	108.9938	0.046	4	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(CHHO)(SRuC)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(CHHO)(SRuC)(H)2	H(CCHO)	110.0465	0.077	2	110.0465	0.006	2	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	H(CCHO)	C(CHHS)(OP)(H)2	C(CHHO)(SFe2)(H)2	H(CCHO)	109.0001	0.183	8	109.0001	0.034	8	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SPtC)(H)2	H(CCHO)	C(CHHS)(OP)(H)2	C(CHHO)(SPtC)(H)2	H(CCHO)	109.7895	0.103	4	109.7895	0.011	4	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OP)(H)2	C(CHHO)(SRuC)(H)2	H(CCHO)	C(CHHS)(OP)(H)2	C(CHHO)(SRuC)(H)2	H(CCHO)	109.2604	0.377	5	109.2604	0.142	5	109.7571	0.215	454	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:P-2:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(PZr)(H)2	C(CHHP)(PHH)(H)2	H(CCHP)	C(CHHP)(PZr)(H)2	C(CHHP)(PHH)(H)2	H(CCHP)	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHS)(CNN)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHS)(CNN)(H)2	H(CCHS)	109.1508	0.543	4	109.1508	0.294	4	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	108.9638	0.546	5	108.9638	0.298	5	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	108.9581	0.595	31	108.9581	0.354	31	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SFe)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(CCHH)(SFe)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	108.8777	0.156	4	108.8777	0.024	4	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SNi)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	C(CCHH)(SNi)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	108.8745	0.052	2	108.8745	0.003	2	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SPt)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(CCHH)(SPt)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	108.5190	0.058	2	108.5190	0.003	2	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CHHS)(CCH)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CHHS)(CCH)(H)2	H(CCHS)	108.8820	0.809	3	108.8820	0.654	3	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	109.0070	0.027	2	109.0070	0.001	2	108.9449	0.282	53	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	108.8292	0.589	79	108.8292	0.347	79	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	109.0272	0.640	32	109.0272	0.410	32	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NCS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NCS)(H)2	H(CCHS)	109.1654	0.444	9	109.1654	0.197	9	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SH)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SH)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.3220	0.071	2	109.3220	0.005	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SIn)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SIn)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	108.6108	0.157	12	108.6108	0.025	12	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SN)(H)2	C(CHHS)(NSS)(H)2	H(CCHS)	C(CHHN)(SN)(H)2	C(CHHS)(NSS)(H)2	H(CCHS)	106.5135	0.177	2	106.5135	0.032	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SNi)(H)2	C(CHHS)(NHP)(H)2	H(CCHS)	C(CHHN)(SNi)(H)2	C(CHHS)(NHP)(H)2	H(CCHS)	108.5948	0.222	4	108.5948	0.049	4	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SNi)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	C(CHHN)(SNi)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	109.5037	0.449	14	109.5037	0.202	14	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SP)(H)2	C(CHHS)(NHS)(H)2	H(CCHS)	C(CHHN)(SP)(H)2	C(CHHS)(NHS)(H)2	H(CCHS)	109.1105	0.008	2	109.1105	0.000	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SRe)(H)2	C(CHHS)(NHH)(H)2	H(CCHS)	C(CHHN)(SRe)(H)2	C(CHHS)(NHH)(H)2	H(CCHS)	107.3125	6.769	2	107.3125	45.821	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SRe)(H)2	C(CHHS)(NReC)(H)2	H(CCHS)	C(CHHN)(SRe)(H)2	C(CHHS)(NReC)(H)2	H(CCHS)	111.5940	8.031	2	111.5940	64.502	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SRe)(H)2	C(CHHS)(NReH)(H)2	H(CCHS)	C(CHHN)(SRe)(H)2	C(CHHS)(NReH)(H)2	H(CCHS)	107.4965	0.593	2	107.4965	0.352	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SRh)(H)2	C(CHHS)(NRhH)(H)2	H(CCHS)	C(CHHN)(SRh)(H)2	C(CHHS)(NRhH)(H)2	H(CCHS)	110.0510	1.967	2	110.0510	3.870	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SS)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(CHHN)(SS)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	109.0818	0.248	9	109.0818	0.062	9	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SS)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	C(CHHN)(SS)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	109.1345	0.008	2	109.1345	0.000	2	108.9282	1.183	175	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(SC)(H)2	C(CHHS)(OCoC)(H)2	H(CCHS)	C(CHHO)(SC)(H)2	C(CHHS)(OCoC)(H)2	H(CCHS)	108.5905	0.050	4	108.5905	0.003	4	108.9614	0.229	7	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(SRu)(H)2	C(CHHS)(ORuC)(H)2	H(CCHS)	C(CHHO)(SRu)(H)2	C(CHHS)(ORuC)(H)2	H(CCHS)	109.4560	0.201	3	109.4560	0.040	3	108.9614	0.229	7	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SCH)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SCH)(H)2	H(CCHS)	108.7777	0.580	4	108.7777	0.336	4	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SCN)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SCN)(H)2	H(CCHS)	107.7275	0.291	4	107.7275	0.085	4	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SCoC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SCoC)(H)2	H(CCHS)	108.5403	0.196	3	108.5403	0.039	3	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SCuC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SCuC)(H)2	H(CCHS)	108.1200	0.014	2	108.1200	0.000	2	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SFe2)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SFe2)(H)2	H(CCHS)	108.6864	0.314	8	108.6864	0.099	8	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SGeC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SGeC)(H)2	H(CCHS)	108.9398	0.080	4	108.9398	0.006	4	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SMnC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SMnC)(H)2	H(CCHS)	108.3402	0.890	8	108.3402	0.792	8	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SMo2)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SMo2)(H)2	H(CCHS)	108.5275	0.023	2	108.5275	0.001	2	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SMoC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SMoC)(H)2	H(CCHS)	109.1578	2.394	5	109.1578	5.732	5	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	108.9185	0.005	2	108.9185	0.000	2	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SPdC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SPdC)(H)2	H(CCHS)	108.4968	0.859	6	108.4968	0.737	6	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SPtC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SPtC)(H)2	H(CCHS)	108.2587	0.082	3	108.2587	0.007	3	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SC)(H)2	C(CHHS)(SSeC)(H)2	H(CCHS)	C(CHHS)(SC)(H)2	C(CHHS)(SSeC)(H)2	H(CCHS)	108.8565	0.019	2	108.8565	0.000	2	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SCo)(H)2	C(CHHS)(SCoC)(H)2	H(CCHS)	C(CHHS)(SCo)(H)2	C(CHHS)(SCoC)(H)2	H(CCHS)	109.6857	0.209	4	109.6857	0.044	4	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SFe)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	C(CHHS)(SFe)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	109.1228	0.512	12	109.1228	0.262	12	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SMo)(H)2	C(CHHS)(SMo2)(H)2	H(CCHS)	C(CHHS)(SMo)(H)2	C(CHHS)(SMo2)(H)2	H(CCHS)	109.7725	0.056	4	109.7725	0.003	4	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SMo)(H)2	C(CHHS)(SMoC)(H)2	H(CCHS)	C(CHHS)(SMo)(H)2	C(CHHS)(SMoC)(H)2	H(CCHS)	108.7690	0.336	3	108.7690	0.113	3	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SNi)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	C(CHHS)(SNi)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	109.6070	0.086	4	109.6070	0.007	4	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SNi)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	C(CHHS)(SNi)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	109.7230	0.021	2	109.7230	0.000	2	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRe)(H)2	C(CHHS)(SRe2)(H)2	H(CCHS)	C(CHHS)(SRe)(H)2	C(CHHS)(SRe2)(H)2	H(CCHS)	109.3532	0.123	6	109.3532	0.015	6	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRe)(H)2	C(CHHS)(SReC)(H)2	H(CCHS)	C(CHHS)(SRe)(H)2	C(CHHS)(SReC)(H)2	H(CCHS)	109.1789	0.403	53	109.1789	0.162	53	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRu)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	C(CHHS)(SRu)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	109.2340	0.145	10	109.2340	0.021	10	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(STc)(H)2	C(CHHS)(STcC)(H)2	H(CCHS)	C(CHHS)(STc)(H)2	C(CHHS)(STcC)(H)2	H(CCHS)	110.1040	3.982	4	110.1040	15.855	4	109.0377	0.815	155	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SeC)(H)2	C(CSeHH)(COO)(H)2	H(CSeCH)	C(CCHH)(SeC)(H)2	C(CSeHH)(COO)(H)2	H(CSeCH)	109.6545	0.187	4	109.6545	0.035	4	109.6545	0.035	4	109.5198	1.477	2323	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CC)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	C(CCHO)(CC)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:C-2:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CCH)(CC)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CHHO)(CCH)(CC)(H)	H(CCHO)	109.7790	0.712	4	109.7790	0.506	4	109.7790	0.506	4	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NC)(H)	H(CCHO)	109.2930	0.254	4	109.2930	0.064	4	109.4850	0.127	6	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NS)(H)	H(CCHO)	109.8690	0.034	2	109.8690	0.001	2	109.4850	0.127	6	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CCC)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CHHO)(CCC)(OH)(H)	H(CCHO)	110.1020	0.008	2	110.1020	0.000	2	110.5292	1.488	10	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CCH)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CHHO)(CCH)(OC)(H)	H(CCHO)	110.0395	0.012	2	110.0395	0.000	2	110.5292	1.488	10	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CHHO)(COO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CHHO)(COO)(OH)(H)	H(CCHO)	109.6395	1.395	2	109.6395	1.946	2	110.5292	1.488	10	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(OP)(H)2	C(CHHO)(COO)(OH)(H)	H(CCHO)	C(CCHO)(OP)(H)2	C(CHHO)(COO)(OH)(H)	H(CCHO)	111.4325	1.385	4	111.4325	1.918	4	110.5292	1.488	10	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(SS)(H)2	C(CHHS)(CNO)(NC)(H)	H(CCHS)	C(CCHN)(SS)(H)2	C(CHHS)(CNO)(NC)(H)	H(CCHS)	108.2020	0.021	2	108.2020	0.000	2	108.4047	0.045	6	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(SS)(H)2	C(CHHS)(COO)(NC)(H)	H(CCHS)	C(CCHN)(SS)(H)2	C(CHHS)(COO)(NC)(H)	H(CCHS)	108.5060	0.182	4	108.5060	0.033	4	108.4047	0.045	6	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(SC)(H)2	C(CHHS)(COO)(OH)(H)	H(CCHS)	C(CCHO)(SC)(H)2	C(CHHS)(COO)(OH)(H)	H(CCHS)	108.9839	0.855	7	108.9839	0.731	7	109.1558	0.665	9	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(SS)(H)2	C(CHHS)(COO)(OH)(H)	H(CCHS)	C(CCHO)(SS)(H)2	C(CHHS)(COO)(OH)(H)	H(CCHS)	109.7575	0.008	2	109.7575	0.000	2	109.1558	0.665	9	109.5521	1.149	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CC)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	C(CCCH)(CC)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	109.8200	0.017	2	109.8200	0.000	2	109.4166	0.140	5	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CC)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	C(CCCH)(CC)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	109.1477	0.089	3	109.1477	0.008	3	109.4166	0.140	5	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CC)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHN)(CC)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	111.3360	0.547	2	111.3360	0.300	2	109.3180	3.171	8	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CC)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	C(CCHN)(CC)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	108.2722	1.767	4	108.2722	3.122	4	109.3180	3.171	8	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHN)(CN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	109.3915	0.036	2	109.3915	0.001	2	109.3180	3.171	8	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CHHO)(CCH)(NCC)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CHHO)(CCH)(NCC)(H)	H(CCHO)	108.8860	0.025	4	108.8860	0.001	4	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CHHO)(CNO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CHHO)(CNO)(NCH)(H)	H(CCHO)	109.9520	1.874	6	109.9520	3.512	6	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CHHO)(COO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CHHO)(COO)(NCH)(H)	H(CCHO)	110.1358	0.620	4	110.1358	0.384	4	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CCH)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CCH)(NCH)(H)	H(CCHO)	109.5395	0.021	2	109.5395	0.000	2	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CNO)(NCH)(H)	H(CCHO)	109.4272	0.460	28	109.4272	0.211	28	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCC)(H)	H(CCHO)	109.3453	2.531	4	109.3453	6.407	4	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NCH)(H)	H(CCHO)	109.6032	1.138	53	109.6032	1.295	53	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NHS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(COO)(NHS)(H)	H(CCHO)	109.6415	0.094	2	109.6415	0.009	2	109.5580	1.136	103	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(NCuC)(COO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(NCuC)(COO)(H)	H(CCHO)	109.3085	0.496	6	109.3085	0.246	6	109.5176	0.334	16	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(NNiC)(CNO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(NNiC)(CNO)(H)	H(CCHO)	109.4211	0.446	8	109.4211	0.199	8	109.5176	0.334	16	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(NSnC)(COO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(NSnC)(COO)(H)	H(CCHO)	110.5305	0.030	2	110.5305	0.001	2	109.5176	0.334	16	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	H(CCHO)	C(CFNN)(OC)(H)2	C(CHHO)(NOO)2(F)	H(CCHO)	109.8137	1.794	6	109.8137	3.219	6	109.8137	3.219	6	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SC)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	C(CCHN)(SC)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	108.4608	0.262	5	108.4608	0.069	5	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SC)(H)2	C(CHHS)(CNO)(NHH)(H)	H(CCHS)	C(CCHN)(SC)(H)2	C(CHHS)(CNO)(NHH)(H)	H(CCHS)	107.8270	0.008	2	107.8270	0.000	2	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SC)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	C(CCHN)(SC)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	109.0285	0.466	10	109.0285	0.217	10	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SH)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	C(CCHN)(SH)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	108.2089	0.427	8	108.2089	0.182	8	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SH)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	C(CCHN)(SH)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	108.6462	0.095	12	108.6462	0.009	12	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SRu)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	C(CCHN)(SRu)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	109.4180	0.013	3	109.4180	0.000	3	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SS)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	C(CCHN)(SS)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	108.3560	0.004	2	108.3560	0.000	2	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SS)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	C(CCHN)(SS)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	109.0795	0.565	11	109.0795	0.319	11	108.7266	0.288	53	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(SNi)(H)2	C(CHHS)(NNiC)(COO)(H)	H(CCHS)	C(CCHN)(SNi)(H)2	C(CHHS)(NNiC)(COO)(H)	H(CCHS)	109.4385	0.046	2	109.4385	0.002	2	109.4108	0.002	4	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(STc)(H)2	C(CHHS)(NTcC)(CNO)(H)	H(CCHS)	C(CCHN)(STc)(H)2	C(CHHS)(NTcC)(CNO)(H)	H(CCHS)	109.3830	0.013	2	109.3830	0.000	2	109.4108	0.002	4	109.3201	1.038	195	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:3:	4:	C-4:N-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(CN3)(NC)(H)2	C(CHHN)(NOO)3	H(CCHN)	C(CN3)(NC)(H)2	C(CHHN)(NOO)3	H(CCHN)	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	109.2896	2.520	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	H(CCHO)	C(CN3)(OC)(H)2	C(CHHO)(NOO)3	H(CCHO)	109.7898	0.986	20	109.7898	0.973	20	109.2341	2.549	24	109.2896	2.520	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(CN3)(OH)(H)2	C(CHHO)(NOO)3	H(CCHO)	C(CN3)(OH)(H)2	C(CHHO)(NOO)3	H(CCHO)	106.4555	1.013	4	106.4555	1.025	4	109.2341	2.549	24	109.2896	2.520	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	H(CCHO)	109.8565	0.012	2	109.8565	0.000	2	109.9693	0.017	4	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(OMo)(H)2	C(CHHO)(CMoO)(CH3)(H)	H(CCHO)	C(CCCH)(OMo)(H)2	C(CHHO)(CMoO)(CH3)(H)	H(CCHO)	110.0820	0.016	2	110.0820	0.000	2	109.9693	0.017	4	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	H(CCHO)	109.2295	0.020	4	109.2295	0.000	4	109.2295	0.000	4	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[5,5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[5,5]C[6a]H)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[5,5]C[6a]H)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	109.3885	0.042	2	109.3885	0.002	2	109.3885	0.002	2	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[5,6]C[6a]H)(OH)(H)2	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[5,6]C[6a]H)(OH)(H)2	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	109.4885	0.009	2	109.4885	0.000	2	109.4885	0.000	2	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:B[5]-3:C-4:H-1:	C-4:	C(CB[5]C[5]H)(OC)(H)2	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	H(CCHO)	C(CB[5]C[5]H)(OC)(H)2	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	H(CCHO)	111.3035	2.101	2	111.3035	4.413	2	111.3035	4.413	2	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(OC)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	C(CC[6a]C[5]H)(OC)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	H(CCHO)	110.8563	0.121	4	110.8563	0.015	4	110.8563	0.015	4	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:1:	4:	C-4:S-2:H-1:H-1:	S-4:C-3:C-4:H-1:	C-4:	C(CCHS)(SC)(H)2	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	H(CCHS)	C(CCHS)(SC)(H)2	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	H(CCHS)	108.8945	0.059	2	108.8945	0.003	2	108.8945	0.003	2	109.9185	0.885	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:4:	4:	C-4:S-2:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(SNi)(H)2	C(CHHS)(SNiC)(CH3)2	H(CCHS)	C(CCCS)(SNi)(H)2	C(CHHS)(SNiC)(CH3)2	H(CCHS)	109.0153	0.103	9	109.0153	0.011	9	109.0153	0.011	9	109.0085	0.009	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:3:4:4:	4:	C-4:Se-2:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(SeNi)(H)2	C(CSeHH)(SNiC)(CH3)2	H(CSeCH)	C(CCCS)(SeNi)(H)2	C(CSeHH)(SNiC)(CH3)2	H(CSeCH)	108.9880	0.068	3	108.9880	0.005	3	108.9880	0.005	3	109.0085	0.009	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(Cl)(H)	C(CC[6a]CN)(CClCH)(H)2	H(CClCC)	C(CCHH)(CN)(Cl)(H)	C(CC[6a]CN)(CClCH)(H)2	H(CClCC)	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(F)(H)	C(CCFH)(CCHN)(H)2	H(CCCF)	C(CCHH)(CN)(F)(H)	C(CCFH)(CCHN)(H)2	H(CCCF)	109.6700	0.000	1	109.6700	0.000	1	109.6700	0.000	1	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.2030	0.413	4	109.2030	0.171	4	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	109.4930	0.020	2	109.4930	0.000	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6045	0.189	4	108.6045	0.036	4	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9724	1.378	55	108.9724	1.900	55	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8080	1.256	10	108.8080	1.577	10	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	H(CCCH)	109.2833	1.138	132	109.2833	1.296	132	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	109.3303	0.167	7	109.3303	0.028	7	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	109.5040	1.431	4	109.5040	2.047	4	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.2405	0.023	2	109.2405	0.001	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.0065	0.054	2	109.0065	0.003	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	110.0136	1.110	12	110.0136	1.231	12	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	108.5565	0.011	2	108.5565	0.000	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	109.2535	0.012	2	109.2535	0.000	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.7280	10.779	2	109.7280	116.190	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	95.4375	0.908	2	95.4375	0.825	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CH)(H)2	C(CCHH)2(H)2	H(CCCH)	103.4850	0.932	2	103.4850	0.869	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.0285	0.059	2	109.0285	0.003	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	109.7018	0.785	20	109.7018	0.616	20	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.3739	0.336	16	109.3739	0.113	16	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	109.1500	0.000	1	109.1500	0.000	1	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	H(CCCH)	109.2624	1.323	50	109.2624	1.751	50	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.9250	0.000	1	108.9250	0.000	1	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.0028	0.450	8	109.0028	0.202	8	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCoHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCoHH)(CCHH)(H)2	H(CCCH)	111.0315	1.918	2	111.0315	3.680	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CCuHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CCuHH)(CCHH)(H)2	H(CCCH)	109.2610	0.023	2	109.2610	0.001	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.3174	1.033	38	109.3174	1.068	38	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.2246	0.334	9	109.2246	0.112	9	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	110.7875	2.119	2	110.7875	4.491	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CN)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	108.9385	0.266	12	108.9385	0.071	12	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COs)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(COs)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.7130	0.016	2	108.7130	0.000	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COs)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(COs)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3370	6.583	2	109.3370	43.338	2	109.1678	2.679	411	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CC)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)(CC)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.1560	0.010	2	109.1560	0.000	2	109.2425	0.015	12	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CC)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CC)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.3165	0.262	2	109.3165	0.069	2	109.2425	0.015	12	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.2907	0.067	6	109.2907	0.005	6	109.2425	0.015	12	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.1105	0.045	2	109.1105	0.002	2	109.2425	0.015	12	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CN)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	C(CHHP)(CN)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	109.6376	0.355	5	109.6376	0.126	5	109.4120	0.782	11	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CN)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	C(CHHP)(CN)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	110.5405	1.132	2	110.5405	1.282	2	109.4120	0.782	11	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CN)(H)2	C(CCHH)(PFe3)(H)2	H(CCCH)	C(CHHP)(CN)(H)2	C(CCHH)(PFe3)(H)2	H(CCCH)	108.5658	0.352	4	108.5658	0.124	4	109.4120	0.782	11	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CN)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(CN)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	109.0570	0.138	7	109.0570	0.019	7	109.0570	0.019	7	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CN)(H)2	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CN)(H)2	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	H(CCCH)	108.9915	0.023	2	108.9915	0.001	2	108.9915	0.001	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CN)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CN)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	H(CCCH)	109.2815	0.023	2	109.2815	0.001	2	109.2815	0.001	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	108.8489	0.500	7	108.8489	0.250	7	109.1023	0.189	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.1705	0.474	4	109.1705	0.224	4	109.1023	0.189	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	109.0687	0.034	4	109.0687	0.001	4	109.1023	0.189	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CCCH)	109.4290	0.033	2	109.4290	0.001	2	109.1023	0.189	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	109.4200	0.000	1	109.4200	0.000	1	109.1023	0.189	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.7660	0.000	1	109.7660	0.000	1	109.1023	0.189	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CN)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CN)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CCCH)	109.7010	0.008	2	109.7010	0.000	2	109.7010	0.000	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.0648	0.209	6	109.0648	0.044	6	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	H(CCCH)	109.4715	0.095	2	109.4715	0.009	2	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.1907	0.487	3	109.1907	0.237	3	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	112.6405	1.439	2	112.6405	2.071	2	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.7225	0.029	2	109.7225	0.001	2	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CCCH)	109.4170	0.038	2	109.4170	0.001	2	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	110.7220	1.737	2	110.7220	3.016	2	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.3155	0.134	4	109.3155	0.018	4	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.7635	2.691	8	109.7635	7.240	8	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	H(CCCH)	109.9950	0.008	2	109.9950	0.000	2	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	110.0560	0.198	2	110.0560	0.039	2	109.7537	2.364	35	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	108.8460	0.065	2	108.8460	0.004	2	109.0812	0.387	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	108.5233	0.432	6	108.5233	0.187	6	109.0812	0.387	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	109.4474	0.550	12	109.4474	0.302	12	109.0812	0.387	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	108.7265	0.354	6	108.7265	0.125	6	109.0812	0.387	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CN)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CN)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	109.8575	0.049	2	109.8575	0.002	2	109.0812	0.387	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CN)(H)2	C(PC[5]HW)(CCHH)(H)2	H(CCCH)	C(CHHP)(CN)(H)2	C(PC[5]HW)(CCHH)(H)2	H(CCCH)	108.9685	0.035	2	108.9685	0.001	2	109.3786	0.083	22	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CN)(H)2	C(PC[6a]RuC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CN)(H)2	C(PC[6a]RuC)(CCHH)(H)2	H(CCCH)	109.0312	0.059	4	109.0312	0.003	4	109.3786	0.083	22	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CN)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CN)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	109.4595	0.118	6	109.4595	0.014	6	109.3786	0.083	22	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CN)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CN)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	109.5510	0.237	10	109.5510	0.056	10	109.3786	0.083	22	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(CP[4]HH)(CN)(H)2	C(P[4]N[4]2N)(CCHH)(H)2	H(CCCH)	C(CP[4]HH)(CN)(H)2	C(P[4]N[4]2N)(CCHH)(H)2	H(CCCH)	108.6072	0.624	4	108.6072	0.389	4	108.6072	0.389	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Ge-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(GeN)(H)2	C(CGeHH)(CCCH)(H)2	H(CGeCH)	C(CCHH)(GeN)(H)2	C(CGeHH)(CCCH)(H)2	H(CGeCH)	110.4830	0.023	2	110.4830	0.001	2	110.4830	0.001	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3461	1.106	139	109.3461	1.223	139	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CC[6a]2H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CC[6a]2H)(CHHN)(H)2	H(CCHN)	109.5298	0.149	4	109.5298	0.022	4	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.3875	1.225	22	109.3875	1.502	22	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	108.9260	0.645	4	108.9260	0.416	4	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3726	0.632	82	109.3726	0.400	82	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	108.9757	1.861	6	108.9757	3.464	6	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.2753	0.279	6	109.2753	0.078	6	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.7360	0.000	1	108.7360	0.000	1	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1150	0.035	2	109.1150	0.001	2	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.5350	1.310	2	109.5350	1.715	2	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NN)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NN)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.6577	0.449	9	109.6577	0.202	9	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NN)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NN)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	108.9636	1.154	7	108.9636	1.332	7	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NN)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NN)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.3225	0.027	4	109.3225	0.001	4	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NN)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NN)(H)2	C(CHHN)2(H)2	H(CCHN)	109.7880	0.046	4	109.7880	0.002	4	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NN)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NN)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	110.0975	0.030	2	110.0975	0.001	2	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.1785	0.050	2	109.1785	0.003	2	109.3520	0.913	296	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	108.6394	0.673	14	108.6394	0.453	14	109.5328	3.862	45	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.6369	0.868	20	109.6369	0.754	20	109.5328	3.862	45	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	112.1310	7.270	3	112.1310	52.851	3	109.5328	3.862	45	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.4968	0.478	4	109.4968	0.228	4	109.5328	3.862	45	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	109.0660	0.082	2	109.0660	0.007	2	109.5328	3.862	45	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NP)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NP)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	111.3860	2.094	2	111.3860	4.387	2	109.5328	3.862	45	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(NN)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	C(CC[5,6]HH)(NN)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	110.2835	0.021	2	110.2835	0.000	2	110.2835	0.000	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NN)(H)2	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NN)(H)2	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	H(CCHN)	109.0150	0.014	2	109.0150	0.000	2	109.1807	0.082	3	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(CCHN)	109.5120	0.000	1	109.5120	0.000	1	109.1807	0.082	3	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	109.1945	0.043	2	109.1945	0.002	2	109.2464	0.367	18	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NC)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NC)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	109.0210	0.006	2	109.0210	0.000	2	109.2464	0.367	18	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCo)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCo)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	109.9850	0.132	2	109.9850	0.017	2	109.2464	0.367	18	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NFe)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NFe)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	109.4592	0.501	4	109.4592	0.251	4	109.2464	0.367	18	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	109.9490	0.030	2	109.9490	0.001	2	109.2464	0.367	18	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNi)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNi)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	109.0095	0.108	2	109.0095	0.012	2	109.2464	0.367	18	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NP)(H)2	C(NOsCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NP)(H)2	C(NOsCH)(CHHN)(H)2	H(CCHN)	108.5703	0.618	4	108.5703	0.382	4	109.2464	0.367	18	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:N-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NC)(H)2	C(PC[6a]2O)(CHHN)(H)2	H(CCHN)	C(CHHP)(NC)(H)2	C(PC[6a]2O)(CHHN)(H)2	H(CCHN)	109.5640	0.023	2	109.5640	0.001	2	109.5640	0.001	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OC)(H)2	C(CBrCH)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OC)(H)2	C(CBrCH)(CHHO)(Br)(H)	H(CCHO)	110.2225	0.557	4	110.2225	0.310	4	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	H(CCHO)	109.5545	0.279	4	109.5545	0.078	4	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OC)(H)2	C(CC[6a]CH)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OC)(H)2	C(CC[6a]CH)(CHHO)(Br)(H)	H(CCHO)	110.0343	0.120	3	110.0343	0.014	3	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OH)(H)2	C(CC[6a]ClH)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OH)(H)2	C(CC[6a]ClH)(CHHO)(Br)(H)	H(CCHO)	108.9490	0.014	2	108.9490	0.000	2	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OH)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OH)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	H(CCHO)	109.4670	0.013	2	109.4670	0.000	2	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(Br)(H)	H(CCHO)	109.4692	0.532	6	109.4692	0.283	6	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OS)(H)2	C(CCHN)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OS)(H)2	C(CCHN)(CHHO)(Br)(H)	H(CCHO)	110.6525	0.053	2	110.6525	0.003	2	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OSi)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	H(CCHO)	C(CBrCH)(OSi)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	H(CCHO)	109.4835	0.020	4	109.4835	0.000	4	109.7073	0.296	27	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OC)(H)2	C(CBrCC)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OC)(H)2	C(CBrCC)(CHHO)(Cl)(H)	H(CCHO)	109.9940	0.007	2	109.9940	0.000	2	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OC)(H)2	C(CCHO)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OC)(H)2	C(CCHO)(CHHO)(Cl)(H)	H(CCHO)	110.1093	0.245	6	110.1093	0.060	6	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OC)(H)2	C(CC[6a]ClH)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OC)(H)2	C(CC[6a]ClH)(CHHO)(Cl)(H)	H(CCHO)	110.0050	0.058	4	110.0050	0.003	4	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	H(CCHO)	110.0592	0.417	9	110.0592	0.174	9	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OC)(H)2	C(CClHH)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OC)(H)2	C(CClHH)(CHHO)(Cl)(H)	H(CCHO)	109.9320	0.000	1	109.9320	0.000	1	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OH)(H)2	C(CCHH)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OH)(H)2	C(CCHH)(CHHO)(Cl)(H)	H(CCHO)	108.9605	0.035	4	108.9605	0.001	4	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OH)(H)2	C(CCHO)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OH)(H)2	C(CCHO)(CHHO)(Cl)(H)	H(CCHO)	109.4394	0.368	5	109.4394	0.135	5	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OH)(H)2	C(CC[6a]HH)(CHHO)(Cl)(H)	H(CCHO)	C(CClCH)(OH)(H)2	C(CC[6a]HH)(CHHO)(Cl)(H)	H(CCHO)	109.1163	0.484	3	109.1163	0.234	3	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(OH)(H)2	C(CHHO)(CC3)(Cl)(H)	H(CCHO)	C(CClCH)(OH)(H)2	C(CHHO)(CC3)(Cl)(H)	H(CCHO)	108.6566	0.485	5	108.6566	0.236	5	109.6103	0.397	39	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(OC)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	C(CCFF)(OC)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	110.7237	0.101	3	110.7237	0.010	3	109.7402	0.355	52	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(OC)(H)2	C(CClFF)(CHHO)(F)2	H(CCHO)	C(CCFF)(OC)(H)2	C(CClFF)(CHHO)(F)2	H(CCHO)	109.8165	0.040	2	109.8165	0.002	2	109.7402	0.355	52	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(OC)(H)2	C(CFFH)(CHHO)(F)2	H(CCHO)	C(CCFF)(OC)(H)2	C(CFFH)(CHHO)(F)2	H(CCHO)	109.3857	0.983	10	109.3857	0.966	10	109.7402	0.355	52	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(OC)(H)2	C(CHHO)(CF3)(F)2	H(CCHO)	C(CCFF)(OC)(H)2	C(CHHO)(CF3)(F)2	H(CCHO)	109.3450	0.574	2	109.3450	0.330	2	109.7402	0.355	52	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(OH)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	C(CCFF)(OH)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	109.6642	0.167	29	109.6642	0.028	29	109.7402	0.355	52	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(ON)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	C(CCFF)(ON)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	111.0505	0.047	2	111.0505	0.002	2	109.7402	0.355	52	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(OP)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	C(CCFF)(OP)(H)2	C(CCFF)(CHHO)(F)2	H(CCHO)	109.9440	0.125	4	109.9440	0.016	4	109.7402	0.355	52	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(OH)(H)2	C(CC[6a]HH)(CHHO)(F)(H)	H(CCHO)	C(CCFH)(OH)(H)2	C(CC[6a]HH)(CHHO)(F)(H)	H(CCHO)	109.1870	0.008	2	109.1870	0.000	2	109.8730	0.628	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(OS)(H)2	C(CCFH)(CHHO)(F)(H)	H(CCHO)	C(CCFH)(OS)(H)2	C(CCFH)(CHHO)(F)(H)	H(CCHO)	110.5590	0.038	2	110.5590	0.001	2	109.8730	0.628	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OAl)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OAl)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	108.8773	0.483	6	108.8773	0.233	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.6765	0.268	22	109.6765	0.072	22	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CB[5]CH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CB[5]CH)(CHHO)(H)2	H(CCHO)	109.6475	0.315	4	109.6475	0.099	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CBrHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CBrHH)(CHHO)(H)2	H(CCHO)	110.2860	0.023	2	110.2860	0.001	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	H(CCHO)	110.0322	0.616	14	110.0322	0.380	14	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.8932	0.800	474	109.8932	0.640	474	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CCHI)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CCHI)(CHHO)(H)2	H(CCHO)	109.8018	2.679	6	109.8018	7.176	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CCHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CCHN)(CHHO)(H)2	H(CCHO)	110.2125	0.078	4	110.2125	0.006	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	109.9191	0.480	19	109.9191	0.230	19	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[3x6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[3x6]HH)(CHHO)(H)2	H(CCHO)	109.8092	0.146	4	109.8092	0.021	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CCHO)	110.0218	0.356	6	110.0218	0.127	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	110.0402	1.054	13	110.0402	1.111	13	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[5]HO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[5]HO)(CHHO)(H)2	H(CCHO)	110.2355	0.015	2	110.2355	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CCHO)	110.6930	1.865	18	110.6930	3.480	18	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	109.3023	0.876	22	109.3023	0.767	22	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6a]2C)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6a]2C)(CHHO)(H)2	H(CCHO)	109.3550	0.018	2	109.3550	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	H(CCHO)	110.5640	0.535	28	110.5640	0.286	28	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6a]CO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6a]CO)(CHHO)(H)2	H(CCHO)	109.8040	0.082	4	109.8040	0.007	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	H(CCHO)	110.3690	2.355	2	110.3690	5.544	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	109.3471	0.588	18	109.3471	0.346	18	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	H(CCHO)	110.0465	0.543	6	110.0465	0.295	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.8429	0.548	67	109.8429	0.301	67	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CC3)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CC3)(H)2	H(CCHO)	108.8865	0.062	2	108.8865	0.004	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	109.9824	1.062	109	109.9824	1.127	109	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CHHP)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CHHP)(H)2	H(CCHO)	110.2177	1.777	37	110.2177	3.157	37	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	111.4790	1.254	2	111.4790	1.574	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	H(CCHO)	110.0194	0.289	49	110.0194	0.083	49	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	109.7287	0.780	10	109.7287	0.609	10	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CCHO)	109.8023	0.533	10	109.8023	0.284	10	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CCHO)	110.0025	0.013	2	110.0025	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OFe)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OFe)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	106.6765	4.095	4	106.6765	16.772	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OFe)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OFe)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	104.6318	6.244	4	104.6318	38.987	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OGe)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OGe)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.0230	0.044	2	110.0230	0.002	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	H(CCHO)	109.3608	0.328	13	109.3608	0.108	13	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CCCN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CCCN)(CHHO)(H)2	H(CCHO)	109.6845	0.008	2	109.6845	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.2031	1.216	228	109.2031	1.480	228	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	H(CCHO)	109.4440	0.662	14	109.4440	0.438	14	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	109.4595	0.579	13	109.4595	0.336	13	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CCHP)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CCHP)(CHHO)(H)2	H(CCHO)	109.4688	0.715	4	109.4688	0.511	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CCHO)	109.2920	0.021	2	109.2920	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5]CH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5]CH)(CHHO)(H)2	H(CCHO)	109.0466	0.047	5	109.0466	0.002	5	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	109.5526	0.430	15	109.5526	0.185	15	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5]HO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5]HO)(CHHO)(H)2	H(CCHO)	108.3300	0.042	2	108.3300	0.002	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5a]CC)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5a]CC)(CHHO)(H)2	H(CCHO)	109.7720	0.000	1	109.7720	0.000	1	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5a]C[6a]H)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5a]C[6a]H)(CHHO)(H)2	H(CCHO)	109.2560	0.000	1	109.2560	0.000	1	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	H(CCHO)	109.3999	0.734	27	109.3999	0.539	27	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[5a]HP)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[5a]HP)(CHHO)(H)2	H(CCHO)	109.4325	0.025	2	109.4325	0.001	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	109.1794	1.763	8	109.1794	3.108	8	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6a]2H)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6a]2H)(CHHO)(H)2	H(CCHO)	108.6865	0.012	2	108.6865	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	H(CCHO)	109.0211	0.126	9	109.0211	0.016	9	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	109.7229	0.380	7	109.7229	0.145	7	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6a]HN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6a]HN)(CHHO)(H)2	H(CCHO)	109.0922	0.077	6	109.0922	0.006	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6a]HP)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6a]HP)(CHHO)(H)2	H(CCHO)	108.5380	0.011	2	108.5380	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CC[6a]HS)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CC[6a]HS)(CHHO)(H)2	H(CCHO)	109.9720	0.004	2	109.9720	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.5182	1.205	73	109.5182	1.452	73	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	109.2608	0.906	67	109.2608	0.821	67	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CHHP)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CHHP)(H)2	H(CCHO)	109.2200	0.305	12	109.2200	0.093	12	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	108.4870	0.375	2	108.4870	0.140	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CHHO)2(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CHHO)2(H)2	H(CCHO)	109.3301	0.409	20	109.3301	0.167	20	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	109.4295	0.331	12	109.4295	0.110	12	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CN[5a]HH)(CHHO)(H)2	H(CCHO)	109.3070	0.469	7	109.3070	0.220	7	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CCHO)	109.7410	0.860	8	109.7410	0.740	8	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OH)(H)2	C(CN[6a]HH)(CHHO)(H)2	H(CCHO)	110.4368	1.774	6	110.4368	3.148	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OIr)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OIr)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	112.0425	0.162	2	112.0425	0.026	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMo)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	C(CCHH)(OMo)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	108.7435	0.004	2	108.7435	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMo)(H)2	C(CSeHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OMo)(H)2	C(CSeHH)(CHHO)(H)2	H(CCHO)	108.7490	0.017	2	108.7490	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.6524	0.638	34	109.6524	0.407	34	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ON)(H)2	C(CCoHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(ON)(H)2	C(CCoHH)(CHHO)(H)2	H(CCHO)	108.8193	0.212	6	108.8193	0.045	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ON)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(ON)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	112.2510	1.229	4	112.2510	1.511	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	H(CCHO)	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	H(CCHO)	110.0154	0.613	30	110.0154	0.376	30	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OO)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OO)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	110.4826	0.095	5	110.4826	0.009	5	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.6761	0.800	76	109.6761	0.639	76	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	109.5880	0.016	2	109.5880	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CC[6a]HH)(CHHO)(H)2	H(CCHO)	110.0650	0.010	2	110.0650	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	110.1710	0.008	2	110.1710	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	107.5875	2.498	14	107.5875	6.242	14	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	H(CCHO)	110.0576	0.319	13	110.0576	0.102	13	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OP)(H)2	C(CSiHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OP)(H)2	C(CSiHH)(CHHO)(H)2	H(CCHO)	109.8455	0.329	6	109.8455	0.108	6	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ORe)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(ORe)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.6300	0.037	2	109.6300	0.001	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ORe)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(ORe)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	108.2060	0.010	2	108.2060	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ORu)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(ORu)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	106.4335	0.039	2	106.4335	0.002	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CCFH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CCFH)(CHHO)(H)2	H(CCHO)	110.2370	0.024	2	110.2370	0.001	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	111.3693	2.486	11	111.3693	6.182	11	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	H(CCHO)	110.2135	1.120	8	110.2135	1.254	8	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CC[5]HO)(CHHO)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CC[5]HO)(CHHO)(H)2	H(CCHO)	109.5900	0.020	2	109.5900	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CC[6a]CH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CC[6a]CH)(CHHO)(H)2	H(CCHO)	110.2955	0.033	2	110.2955	0.001	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	H(CCHO)	110.4680	0.008	2	110.4680	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	110.1465	0.006	2	110.1465	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OS)(H)2	C(CHHO)2(H)2	H(CCHO)	C(CCHH)(OS)(H)2	C(CHHO)2(H)2	H(CCHO)	110.2454	0.145	5	110.2454	0.021	5	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.5439	0.802	16	109.5439	0.643	16	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OSi)(H)2	C(CCHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OSi)(H)2	C(CCHN)(CHHO)(H)2	H(CCHO)	109.8780	0.010	2	109.8780	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OSi)(H)2	C(CC[4]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OSi)(H)2	C(CC[4]HH)(CHHO)(H)2	H(CCHO)	109.7435	0.042	2	109.7435	0.002	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OSi)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OSi)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CCHO)	109.5750	0.170	8	109.5750	0.029	8	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OSi)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OSi)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CCHO)	109.4585	2.666	2	109.4585	7.110	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OSm)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OSm)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	108.7130	0.419	4	108.7130	0.175	4	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OTi)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OTi)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	108.5280	0.057	2	108.5280	0.003	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OZn)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OZn)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	108.9265	0.053	2	108.9265	0.003	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OZr)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OZr)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	109.9320	0.021	2	109.9320	0.000	2	109.6811	1.242	1826	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(OC)(H)2	C(CN[4]HH)(CHHO)(H)(I)	H(CCHO)	C(CCHI)(OC)(H)2	C(CN[4]HH)(CHHO)(H)(I)	H(CCHO)	109.0920	0.000	1	109.0920	0.000	1	109.2100	0.028	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(OH)(H)2	C(CC[6a]N[5a]H)(CHHO)(H)(I)	H(CCHO)	C(CCHI)(OH)(H)2	C(CC[6a]N[5a]H)(CHHO)(H)(I)	H(CCHO)	109.3280	0.000	1	109.3280	0.000	1	109.2100	0.028	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:N-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(H)(N)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(H)(N)	H(CCHO)	109.8458	1.032	14	109.8458	1.065	14	109.8458	1.065	14	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	H(CCHO)	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	H(CCHO)	106.1025	5.362	4	106.1025	28.752	4	106.1025	28.752	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	109.6779	2.498	16	109.6779	6.240	16	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	109.9486	0.658	153	109.9486	0.433	153	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	110.0121	0.774	63	110.0121	0.599	63	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	110.0191	0.314	42	110.0191	0.098	42	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	108.5193	2.917	68	108.5193	8.512	68	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	109.5740	0.690	98	109.5740	0.476	98	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NCCO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NCCO)(H)2	H(CCHO)	109.7745	0.056	2	109.7745	0.003	2	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	109.4082	0.805	44	109.4082	0.648	44	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	109.3766	0.663	79	109.3766	0.439	79	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(CHHO)(NHHN)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(CHHO)(NHHN)(H)2	H(CCHO)	107.8830	3.872	2	107.8830	14.993	2	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OP)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	C(CHHN)(OP)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	109.1987	3.809	10	109.1987	14.506	10	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OS)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	C(CHHN)(OS)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	110.9010	0.018	2	110.9010	0.000	2	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	C(CHHN)(OSi)(H)2	C(CHHO)(NCCH)(H)2	H(CCHO)	108.1922	0.330	14	108.1922	0.109	14	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OSi)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	C(CHHN)(OSi)(H)2	C(CHHO)(NCHH)(H)2	H(CCHO)	110.2625	0.009	2	110.2625	0.000	2	109.5549	1.997	595	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CHHO)(ON)(H)2	C(CHHO)(ONi3)(H)2	H(CCHO)	C(CHHO)(ON)(H)2	C(CHHO)(ONi3)(H)2	H(CCHO)	108.2190	0.412	4	108.2190	0.170	4	108.2190	0.170	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(CHHO)(PBCC)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(CHHO)(PBCC)(H)2	H(CCHO)	111.0152	1.619	8	111.0152	2.622	8	111.0583	5.915	15	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(CHHO)(PC3)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(CHHO)(PC3)(H)2	H(CCHO)	112.8145	3.461	4	112.8145	11.981	4	111.0583	5.915	15	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(OH)(H)2	C(CHHO)(PC3)(H)2	H(CCHO)	C(CHHP)(OH)(H)2	C(CHHO)(PC3)(H)2	H(CCHO)	108.8317	0.804	3	108.8317	0.647	3	111.0583	5.915	15	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(OH)(H)2	C(CHHO)(SCOO)(H)2	H(CCHO)	C(CHHS)(OH)(H)2	C(CHHO)(SCOO)(H)2	H(CCHO)	109.7337	0.021	3	109.7337	0.000	3	109.7337	0.000	3	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	C(CSiHH)(OC)(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	109.8426	0.406	19	109.8426	0.165	19	109.8441	0.186	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(OC[5])(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	C(CSiHH)(OC[5])(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	108.9690	0.000	2	108.9690	0.000	2	109.8441	0.186	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(OC[6])(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	C(CSiHH)(OC[6])(H)2	C(CHHO)(SiC3)(H)2	H(CCHO)	110.0984	0.099	7	110.0984	0.010	7	109.8441	0.186	28	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(OS)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	H(CCHO)	C(CC[3,5]HH)(OS)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	H(CCHO)	108.5155	0.030	2	108.5155	0.001	2	108.5155	0.001	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(OS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	H(CCHO)	C(CC[3,6]HH)(OS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	H(CCHO)	109.7053	0.168	4	109.7053	0.028	4	109.7053	0.028	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	H(CCHO)	C(CC[3]HH)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	H(CCHO)	110.3414	0.827	9	110.3414	0.685	9	110.1619	0.657	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(OC)(H)2	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	H(CCHO)	C(CC[3]HH)(OC)(H)2	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	H(CCHO)	109.8108	0.323	6	109.8108	0.104	6	110.1619	0.657	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2C)(CHHO)(H)2	H(CCHO)	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2C)(CHHO)(H)2	H(CCHO)	111.2735	0.911	2	111.2735	0.831	2	110.1619	0.657	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	H(CCHO)	C(CC[3]HH)(OS)(H)2	C(C[3]C[3]2H)(CHHO)(H)2	H(CCHO)	109.2960	0.011	2	109.2960	0.000	2	110.1619	0.657	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x5,6]HH)(OH)(H)2	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	H(CCHO)	C(CC[3x5,6]HH)(OH)(H)2	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	H(CCHO)	109.4885	0.374	4	109.4885	0.140	4	109.4885	0.140	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(OC)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	H(CCHO)	C(CC[3x6]HH)(OC)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	H(CCHO)	109.7485	0.033	2	109.7485	0.001	2	109.8637	0.018	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(OH)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	H(CCHO)	C(CC[3x6]HH)(OH)(H)2	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	H(CCHO)	109.9790	0.020	2	109.9790	0.000	2	109.8637	0.018	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(OH)(H)2	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	H(CCHO)	C(CC[4,5]HH)(OH)(H)2	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	H(CCHO)	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(OC)(H)2	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	H(CCHO)	C(CC[5,5,6]HH)(OC)(H)2	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	H(CCHO)	110.2840	0.044	2	110.2840	0.002	2	110.2840	0.002	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(OC[6])(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	H(CCHO)	C(CC[5,5]HH)(OC[6])(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	H(CCHO)	109.3073	0.060	3	109.3073	0.004	3	109.5372	0.398	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CCHO)	C(CC[5,5]HH)(OH)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CCHO)	108.7130	0.000	1	108.7130	0.000	1	109.5372	0.398	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(OS)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	H(CCHO)	C(CC[5,5]HH)(OS)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	H(CCHO)	110.2940	0.023	2	110.2940	0.001	2	109.5372	0.398	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	H(CCHO)	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	H(CCHO)	112.8865	2.009	2	112.8865	4.036	2	110.4057	8.327	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,6]2H)(CHHO)(H)2	H(CCHO)	C(CC[5,6]HH)(OC)(H)2	C(C[5,6]C[5,6]2H)(CHHO)(H)2	H(CCHO)	110.3025	0.023	2	110.3025	0.001	2	110.4057	8.327	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(OH)(H)2	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	H(CCHO)	C(CC[5,6]HH)(OH)(H)2	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	H(CCHO)	108.0280	3.736	2	108.0280	13.960	2	110.4057	8.327	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:Br-1:Br-1:	C-4:	C(CC[5]Br2)(OC)(H)2	C(C[5]C[5,6a]N[5]O)(CHHO)(Br)2	H(CCHO)	C(CC[5]Br2)(OC)(H)2	C(C[5]C[5,6a]N[5]O)(CHHO)(Br)2	H(CCHO)	109.8130	0.017	2	109.8130	0.000	2	109.8130	0.000	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	H(CCHO)	C(CC[5]BrH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	H(CCHO)	109.1845	0.016	2	109.1845	0.000	2	109.1845	0.000	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]ClH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(Cl)(H)	H(CCHO)	C(CC[5]ClH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(Cl)(H)	H(CCHO)	110.0065	0.080	2	110.0065	0.006	2	110.0065	0.006	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	H(CCHO)	110.3015	0.039	2	110.3015	0.002	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	H(CCHO)	109.9910	0.000	1	109.9910	0.000	1	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(CCHO)	109.6130	0.027	2	109.6130	0.001	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	H(CCHO)	111.8500	0.288	2	111.8500	0.083	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2C)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2C)(CHHO)(H)2	H(CCHO)	110.7280	4.304	6	110.7280	18.521	6	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Co)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Co)(CHHO)(H)2	H(CCHO)	110.0032	0.166	11	110.0032	0.027	11	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	H(CCHO)	110.1637	0.452	14	110.1637	0.204	14	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ir)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ir)(CHHO)(H)2	H(CCHO)	109.5493	0.609	6	109.5493	0.371	6	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Rh)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Rh)(CHHO)(H)2	H(CCHO)	110.2523	0.205	4	110.2523	0.042	4	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ti)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Ti)(CHHO)(H)2	H(CCHO)	110.0360	0.011	2	110.0360	0.000	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Zr)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]2Zr)(CHHO)(H)2	H(CCHO)	108.6195	0.008	2	108.6195	0.000	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(CCHO)	109.9910	0.018	2	109.9910	0.000	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	H(CCHO)	109.9203	0.022	3	109.9203	0.000	3	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CCHO)	109.6789	0.656	10	109.6789	0.430	10	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)(H)2	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OC)(H)2	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	H(CCHO)	109.8880	0.000	1	109.8880	0.000	1	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	H(CCHO)	109.0964	0.297	7	109.0964	0.088	7	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	H(CCHO)	109.5243	0.427	3	109.5243	0.182	3	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]2C)(CHHO)(H)2	H(CCHO)	109.5948	0.361	4	109.5948	0.130	4	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	H(CCHO)	110.7995	0.141	2	110.7995	0.020	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(H)2	H(CCHO)	109.8030	1.489	4	109.8030	2.217	4	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2O)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2O)(CHHO)(H)2	H(CCHO)	109.5475	0.043	2	109.5475	0.002	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2Ru)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]2Ru)(CHHO)(H)2	H(CCHO)	109.8370	0.076	5	109.8370	0.006	5	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]C)(CHHO)(H)2	H(CCHO)	109.2740	0.014	2	109.2740	0.000	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CCHO)	109.9172	0.188	4	109.9172	0.035	4	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OS)(H)2	C(C[5]C[5,6a]2H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OS)(H)2	C(C[5]C[5,6a]2H)(CHHO)(H)2	H(CCHO)	109.9880	0.058	2	109.9880	0.003	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(H)2	H(CCHO)	108.9387	0.355	4	108.9387	0.126	4	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	H(CCHO)	109.7515	0.055	4	109.7515	0.003	4	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	H(CCHO)	109.8080	0.017	2	109.8080	0.000	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	H(CCHO)	110.1430	0.261	4	110.1430	0.068	4	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]2Mo)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]2Mo)(CHHO)(H)2	H(CCHO)	108.0455	1.303	2	108.0455	1.698	2	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OSi)(H)2	C(C[5]C[5]N[5]H)(CHHO)(H)2	H(CCHO)	110.0644	0.113	16	110.0644	0.013	16	109.8684	1.117	135	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	H(CCHO)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	H(CCHO)	109.8465	0.064	2	109.8465	0.004	2	109.5921	1.209	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	H(CCHO)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	H(CCHO)	109.8920	0.505	3	109.8920	0.255	3	109.5921	1.209	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2H)(CHHO)(H)2	H(CCHO)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]C[6,6]2H)(CHHO)(H)2	H(CCHO)	111.7905	0.795	2	111.7905	0.633	2	109.5921	1.209	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]N[3x6]2H)(CHHO)(H)2	H(CCHO)	C(CC[6,6]HH)(OC)(H)2	C(C[6,6]N[3x6]2H)(CHHO)(H)2	H(CCHO)	110.1330	0.030	2	110.1330	0.001	2	109.5921	1.209	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	H(CCHO)	109.1334	0.582	8	109.1334	0.338	8	109.5921	1.209	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CC[6,6]HH)(OH)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CCHO)	107.9835	0.855	2	107.9835	0.731	2	109.5921	1.209	19	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	H(CCHO)	109.7895	0.021	2	109.7895	0.000	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	H(CCHO)	108.9368	0.175	6	108.9368	0.031	6	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CCHO)	110.1627	0.284	7	110.1627	0.081	7	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	H(CCHO)	109.9560	0.014	2	109.9560	0.000	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	H(CCHO)	109.1960	0.000	1	109.1960	0.000	1	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	H(CCHO)	109.7347	0.668	7	109.7347	0.447	7	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2Cr)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2Cr)(CHHO)(H)2	H(CCHO)	107.8515	7.381	2	107.8515	54.486	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	110.4735	0.900	8	110.4735	0.809	8	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2O)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]2O)(CHHO)(H)2	H(CCHO)	108.8590	0.083	2	108.8590	0.007	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	H(CCHO)	112.2945	0.886	4	112.2945	0.785	4	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CCHO)	110.1362	0.350	15	110.1362	0.123	15	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC[6])(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	109.3970	0.054	2	109.3970	0.003	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OC[6a])(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(CCHO)	109.0485	1.286	2	109.0485	1.654	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	H(CCHO)	108.8830	0.030	2	108.8830	0.001	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CCHO)	109.4800	0.035	2	109.4800	0.001	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	H(CCHO)	109.4214	1.361	26	109.4214	1.853	26	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	109.1822	0.433	13	109.1822	0.187	13	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]N[6]H)(CHHO)(H)2	H(CCHO)	110.0182	0.398	4	110.0182	0.158	4	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CCHO)	109.1552	0.091	4	109.1552	0.008	4	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	109.9237	0.265	4	109.9237	0.070	4	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(H)2	H(CCHO)	109.2455	0.021	2	109.2455	0.000	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OS)(H)2	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OS)(H)2	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	H(CCHO)	110.4680	0.000	1	110.4680	0.000	1	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(H)2	H(CCHO)	110.6335	0.028	2	110.6335	0.001	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OS)(H)2	C(C[6]C[6]O[6]C)(CHHO)(H)2	H(CCHO)	109.3695	0.013	4	109.3695	0.000	4	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	H(CCHO)	110.0245	0.054	2	110.0245	0.003	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	H(CCHO)	109.5125	0.705	2	109.5125	0.497	2	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(H)2	H(CCHO)	109.8865	0.077	4	109.8865	0.006	4	109.7021	1.379	132	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OAl)(H)2	C(NAlCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OAl)(H)2	C(NAlCC)(CHHO)(H)2	H(CCHO)	109.6682	0.135	12	109.6682	0.018	12	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NAlCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NAlCC)(CHHO)(H)2	H(CCHO)	109.3745	0.018	2	109.3745	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NAlCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NAlCH)(CHHO)(H)2	H(CCHO)	109.0250	0.031	2	109.0250	0.001	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NC[6]HH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NC[6]HH)(CHHO)(H)2	H(CCHO)	109.7870	0.633	4	109.7870	0.401	4	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	110.0110	0.042	2	110.0110	0.002	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	110.3277	1.650	20	110.3277	2.722	20	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NIrCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NIrCC)(CHHO)(H)2	H(CCHO)	109.2858	0.672	36	109.2858	0.452	36	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	109.5916	0.893	15	109.5916	0.797	15	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	109.3429	0.642	8	109.3429	0.413	8	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	110.0790	0.068	2	110.0790	0.005	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NPdCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NPdCC)(CHHO)(H)2	H(CCHO)	110.9310	2.106	2	110.9310	4.434	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NPdCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NPdCH)(CHHO)(H)2	H(CCHO)	109.4544	0.645	8	109.4544	0.416	8	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	109.6570	0.017	2	109.6570	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	110.4098	0.215	4	110.4098	0.046	4	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OC)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	109.2408	0.536	6	109.2408	0.288	6	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCo)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCo)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	110.1260	0.000	1	110.1260	0.000	1	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCu)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCu)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	109.3905	0.037	6	109.3905	0.001	6	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCu)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCu)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	109.2920	0.010	2	109.2920	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFe)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OFe)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	109.6453	0.446	29	109.6453	0.199	29	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NC[6]CH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NC[6]CH)(CHHO)(H)2	H(CCHO)	109.2580	0.000	1	109.2580	0.000	1	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	110.2580	0.610	12	110.2580	0.372	12	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NCoCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NCoCH)(CHHO)(H)2	H(CCHO)	109.2887	0.591	9	109.2887	0.349	9	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NCrCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NCrCH)(CHHO)(H)2	H(CCHO)	109.6634	0.686	12	109.6634	0.471	12	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	109.6477	1.579	27	109.6477	2.494	27	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NMnCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NMnCH)(CHHO)(H)2	H(CCHO)	109.8200	0.010	2	109.8200	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NMoCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NMoCC)(CHHO)(H)2	H(CCHO)	110.3125	0.021	2	110.3125	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	109.2165	0.926	18	109.2165	0.858	18	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	109.5289	0.562	8	109.5289	0.316	8	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NPdCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NPdCC)(CHHO)(H)2	H(CCHO)	109.6425	0.029	2	109.6425	0.001	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NPtHH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NPtHH)(CHHO)(H)2	H(CCHO)	108.9395	0.035	2	108.9395	0.001	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NReCC)(CHHO)(H)2	H(CCHO)	109.1805	0.655	4	109.1805	0.429	4	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NReCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NReCH)(CHHO)(H)2	H(CCHO)	110.0010	0.013	2	110.0010	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	110.4490	0.020	2	110.4490	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OH)(H)2	C(NZnCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OH)(H)2	C(NZnCH)(CHHO)(H)2	H(CCHO)	109.6029	0.362	9	109.6029	0.131	9	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMo)(H)2	C(NMoCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMo)(H)2	C(NMoCH)(CHHO)(H)2	H(CCHO)	110.0985	0.033	2	110.0985	0.001	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONi)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONi)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	110.4675	0.224	2	110.4675	0.050	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONi)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONi)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	109.4735	0.015	2	109.4735	0.000	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OP)(H)2	C(NRuCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OP)(H)2	C(NRuCH)(CHHO)(H)2	H(CCHO)	108.6107	0.577	14	108.6107	0.332	14	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OPd)(H)2	C(NPdCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OPd)(H)2	C(NPdCC)(CHHO)(H)2	H(CCHO)	109.9090	0.049	2	109.9090	0.002	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OSi)(H)2	C(NEuCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OSi)(H)2	C(NEuCC)(CHHO)(H)2	H(CCHO)	108.6355	0.032	2	108.6355	0.001	2	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OSn)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OSn)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	109.2970	0.107	12	109.2970	0.012	12	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OZn)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OZn)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	110.2797	0.559	8	110.2797	0.313	8	109.5856	0.819	319	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(OC)(H)2	C(N[3x6]C[6,6]3)(CHHO)(H)2	H(CCHO)	C(CN[3x6]HH)(OC)(H)2	C(N[3x6]C[6,6]3)(CHHO)(H)2	H(CCHO)	109.3410	0.051	2	109.3410	0.003	2	109.3410	0.003	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(OC)(H)2	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5,5]HH)(OC)(H)2	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	H(CCHO)	110.1180	0.212	2	110.1180	0.045	2	110.1180	0.045	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2C)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OC[6a])(H)2	C(N[5]C[5]2C)(CHHO)(H)2	H(CCHO)	110.8175	0.011	2	110.8175	0.000	2	109.3390	0.516	12	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2H)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OH)(H)2	C(N[5]C[5]2H)(CHHO)(H)2	H(CCHO)	109.0433	0.218	10	109.0433	0.048	10	109.3390	0.516	12	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(OH)(H)2	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CCHO)	C(CN[6,6]HH)(OH)(H)2	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	H(CCHO)	109.7500	0.035	2	109.7500	0.001	2	109.7500	0.001	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	H(CCHO)	109.5082	0.784	9	109.5082	0.615	9	109.5901	2.281	40	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2H)(CHHO)(H)2	H(CCHO)	109.6520	3.492	4	109.6520	12.193	4	109.5901	2.281	40	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2O)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OC[6a])(H)2	C(N[6]C[6]2O)(CHHO)(H)2	H(CCHO)	110.8525	0.022	2	110.8525	0.000	2	109.5901	2.281	40	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2C)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2C)(CHHO)(H)2	H(CCHO)	109.7605	0.701	4	109.7605	0.491	4	109.5901	2.281	40	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OH)(H)2	C(N[6]C[6]2H)(CHHO)(H)2	H(CCHO)	109.4607	1.454	21	109.4607	2.113	21	109.5901	2.281	40	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(PC[6a]2Pt)(CHHO)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(PC[6a]2Pt)(CHHO)(H)2	H(CCHO)	110.0282	0.421	11	110.0282	0.177	11	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHO)	109.2441	0.385	17	109.2441	0.148	17	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(PC[6a]BC)(CHHO)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(PC[6a]BC)(CHHO)(H)2	H(CCHO)	109.9237	0.147	20	109.9237	0.022	20	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(PC[6a]PdC)(CHHO)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(PC[6a]PdC)(CHHO)(H)2	H(CCHO)	108.7693	1.524	10	108.7693	2.321	10	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(PC[6a]PtC)(CHHO)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(PC[6a]PtC)(CHHO)(H)2	H(CCHO)	110.0162	0.109	4	110.0162	0.012	4	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(PFeCC)(CHHO)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(PFeCC)(CHHO)(H)2	H(CCHO)	110.0120	0.375	14	110.0120	0.140	14	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OC)(H)2	C(PPtCC)(CHHO)(H)2	H(CCHO)	C(CHHP)(OC)(H)2	C(PPtCC)(CHHO)(H)2	H(CCHO)	108.5673	0.354	4	108.5673	0.126	4	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OH)(H)2	C(PC[6a]2Fe)(CHHO)(H)2	H(CCHO)	C(CHHP)(OH)(H)2	C(PC[6a]2Fe)(CHHO)(H)2	H(CCHO)	109.1685	0.011	2	109.1685	0.000	2	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OP)(H)2	C(PC[6a]2Ir)(CHHO)(H)2	H(CCHO)	C(CHHP)(OP)(H)2	C(PC[6a]2Ir)(CHHO)(H)2	H(CCHO)	108.9410	0.044	2	108.9410	0.002	2	109.5756	0.595	84	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(OH)(H)2	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	H(CCHO)	C(CP[5]HH)(OH)(H)2	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	H(CCHO)	110.2030	0.168	3	110.2030	0.028	3	110.2030	0.028	3	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(OC)(H)2	C(SC[6]OO)(CHHO)(H)2	H(CCHO)	C(CHHS)(OC)(H)2	C(SC[6]OO)(CHHO)(H)2	H(CCHO)	111.7485	1.191	4	111.7485	1.418	4	111.7485	1.418	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(H)2	H(CCHO)	C(CSiHH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(H)2	H(CCHO)	111.1853	3.010	6	111.1853	9.058	6	111.1853	9.058	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:P-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PAg)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PAg)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	109.0470	0.347	3	109.0470	0.120	3	109.0160	0.072	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:P-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PC)(H)2	C(C[5]C[5]2Ru)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PC)(H)2	C(C[5]C[5]2Ru)(CHHP)(H)2	H(CCHP)	108.9850	0.237	3	108.9850	0.056	3	109.0160	0.072	6	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(SC)(H)2	C(CHHS)2(F)2	H(CCHS)	C(CCFF)(SC)(H)2	C(CHHS)2(F)2	H(CCHS)	108.3364	0.276	8	108.3364	0.076	8	108.3364	0.076	8	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CAsHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CAsHH)(CHHS)(H)2	H(CCHS)	108.9200	0.000	1	108.9200	0.000	1	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CCCH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CCCH)(CHHS)(H)2	H(CCHS)	110.0072	0.564	4	110.0072	0.318	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.3001	0.887	113	109.3001	0.786	113	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	109.2869	1.185	114	109.2869	1.404	114	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CCHO)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CCHO)(CHHS)(H)2	H(CCHS)	110.3540	1.483	4	110.3540	2.200	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CC[6a]HN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CC[6a]HN)(CHHS)(H)2	H(CCHS)	109.4518	0.705	4	109.4518	0.497	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.8076	0.367	41	108.8076	0.135	41	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHO)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHO)(CHHS)(H)2	H(CCHS)	110.2600	0.679	2	110.2600	0.461	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.3294	0.678	8	109.3294	0.459	8	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CHHS)2(H)2	H(CCHS)	108.7303	0.844	159	108.7303	0.712	159	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CN[5]CH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CN[5]CH)(CHHS)(H)2	H(CCHS)	108.9760	0.597	6	108.9760	0.356	6	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	108.7316	0.148	5	108.7316	0.022	5	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CCHS)	108.6600	0.020	2	108.6600	0.000	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CSeHH)(CHHS)(H)2	H(CCHS)	109.3635	0.262	4	109.3635	0.069	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CSiHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CSiHH)(CHHS)(H)2	H(CCHS)	109.0987	0.169	3	109.0987	0.029	3	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SC)(H)2	C(CTeHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SC)(H)2	C(CTeHH)(CHHS)(H)2	H(CCHS)	108.6790	0.104	4	108.6790	0.011	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SFe)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SFe)(H)2	C(CHHS)2(H)2	H(CCHS)	108.7912	0.626	9	108.7912	0.392	9	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.1200	0.016	2	108.1200	0.000	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SH)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SH)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	110.9288	1.428	22	110.9288	2.040	22	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(CCHH)(SH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	108.7125	0.036	2	108.7125	0.001	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SH)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	109.1205	0.025	2	109.1205	0.001	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SH)(H)2	C(CSiHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SH)(H)2	C(CSiHH)(CHHS)(H)2	H(CCHS)	108.7290	0.126	13	108.7290	0.016	13	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMo)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SMo)(H)2	C(CHHS)2(H)2	H(CCHS)	108.5858	0.082	4	108.5858	0.007	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SN)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SN)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	110.0505	0.019	2	110.0505	0.000	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNi)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SNi)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.5187	0.011	3	108.5187	0.000	3	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNi)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SNi)(H)2	C(CHHS)2(H)2	H(CCHS)	108.4928	0.145	4	108.4928	0.021	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SP)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SP)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.8727	0.441	6	108.8727	0.195	6	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SP)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SP)(H)2	C(CHHS)2(H)2	H(CCHS)	109.0280	0.079	2	109.0280	0.006	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRe)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SRe)(H)2	C(CHHS)2(H)2	H(CCHS)	108.1270	0.393	2	108.1270	0.155	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CAsHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CAsHH)(CHHS)(H)2	H(CCHS)	108.5945	0.046	2	108.5945	0.002	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.3948	0.262	8	108.3948	0.069	8	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.7638	0.034	4	108.7638	0.001	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	108.1950	0.016	2	108.1950	0.000	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CHHS)(CF3)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CHHS)(CF3)(H)2	H(CCHS)	109.3435	0.023	2	109.3435	0.001	2	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SS)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SS)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	108.7848	0.166	5	108.7848	0.027	5	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SSn)(H)2	C(CCFF)(CHHS)(H)2	H(CCHS)	C(CCHH)(SSn)(H)2	C(CCFF)(CHHS)(H)2	H(CCHS)	109.3230	0.200	4	109.3230	0.040	4	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SV)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SV)(H)2	C(CHHS)2(H)2	H(CCHS)	108.4615	0.270	13	108.4615	0.073	13	109.0777	0.983	587	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NBCC)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NBCC)(H)2	H(CCHS)	109.0897	0.247	3	109.0897	0.061	3	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	108.8956	0.521	15	108.8956	0.271	15	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NCHH)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NCHH)(H)2	H(CCHS)	109.1797	0.506	16	109.1797	0.256	16	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	109.6120	1.537	4	109.6120	2.363	4	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SH)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	C(CHHN)(SH)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	109.3675	0.187	6	109.3675	0.035	6	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SH)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SH)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	109.4547	0.983	6	109.4547	0.966	6	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SRe)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SRe)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	107.6815	2.805	2	107.6815	7.869	2	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SS)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SS)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	108.6556	0.369	35	108.6556	0.136	35	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SV)(H)2	C(CHHS)(NCCV)(H)2	H(CCHS)	C(CHHN)(SV)(H)2	C(CHHS)(NCCV)(H)2	H(CCHS)	110.0209	1.114	22	110.0209	1.242	22	109.1535	0.840	109	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(SC)(H)2	C(CHHS)(PCCO)(H)2	H(CCHS)	C(CHHP)(SC)(H)2	C(CHHS)(PCCO)(H)2	H(CCHS)	109.6835	0.053	2	109.6835	0.003	2	108.8628	0.447	14	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(SW)(H)2	C(CHHS)(PCCW)(H)2	H(CCHS)	C(CHHP)(SW)(H)2	C(CHHS)(PCCW)(H)2	H(CCHS)	108.7260	0.621	12	108.7260	0.385	12	108.8628	0.447	14	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(SP)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	C(CSiHH)(SP)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	109.8050	0.706	2	109.8050	0.498	2	109.8050	0.498	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SC)(H)2	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SC)(H)2	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	H(CCHS)	108.2930	0.047	2	108.2930	0.002	2	109.1952	0.961	26	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SC)(H)2	C(C[5]C[5]N[5]C)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SC)(H)2	C(C[5]C[5]N[5]C)(CHHS)(H)2	H(CCHS)	108.9210	0.023	2	108.9210	0.001	2	109.1952	0.961	26	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SC)(H)2	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SC)(H)2	C(C[5]C[5]N[5]H)(CHHS)(H)2	H(CCHS)	109.0564	0.592	16	109.0564	0.350	16	109.1952	0.961	26	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SC[6a])(H)2	C(C[5]C[5]N[5]C)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SC[6a])(H)2	C(C[5]C[5]N[5]C)(CHHS)(H)2	H(CCHS)	111.7375	1.914	2	111.7375	3.664	2	109.1952	0.961	26	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SS)(H)2	C(C[5]C[5]2Fe)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SS)(H)2	C(C[5]C[5]2Fe)(CHHS)(H)2	H(CCHS)	109.0678	0.099	4	109.0678	0.010	4	109.1952	0.961	26	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SC)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SC)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	H(CCHS)	109.0238	0.180	6	109.0238	0.033	6	108.9389	0.078	9	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SC)(H)2	C(C[6]C[6]N[6]H)(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SC)(H)2	C(C[6]C[6]N[6]H)(CHHS)(H)2	H(CCHS)	108.5345	0.005	2	108.5345	0.000	2	108.9389	0.078	9	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SC)(H)2	C(C[6]N[6]O[6]H)(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SC)(H)2	C(C[6]N[6]O[6]H)(CHHS)(H)2	H(CCHS)	109.2380	0.000	1	109.2380	0.000	1	108.9389	0.078	9	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SAl)(H)2	C(NAlCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SAl)(H)2	C(NAlCC)(CHHS)(H)2	H(CCHS)	109.2555	0.120	4	109.2555	0.014	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NHgCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NHgCC)(CHHS)(H)2	H(CCHS)	107.2388	0.266	4	107.2388	0.071	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NHgCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NHgCH)(CHHS)(H)2	H(CCHS)	108.9445	0.011	2	108.9445	0.000	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.1392	0.182	16	109.1392	0.033	16	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NNiCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NNiCH)(CHHS)(H)2	H(CCHS)	109.3270	0.037	2	109.3270	0.001	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NPdCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NPdCH)(CHHS)(H)2	H(CCHS)	108.8935	0.011	2	108.8935	0.000	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SC)(H)2	C(NReCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SC)(H)2	C(NReCC)(CHHS)(H)2	H(CCHS)	111.3810	3.232	4	111.3810	10.444	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCo)(H)2	C(NCoHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCo)(H)2	C(NCoHH)(CHHS)(H)2	H(CCHS)	109.4373	1.771	4	109.4373	3.138	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SFe)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SFe)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	110.7243	2.837	6	110.7243	8.047	6	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SFe)(H)2	C(NFeHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SFe)(H)2	C(NFeHH)(CHHS)(H)2	H(CCHS)	109.3595	0.054	2	109.3595	0.003	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SH)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SH)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.6070	0.086	2	109.6070	0.007	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SIr)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SIr)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	109.5020	0.034	2	109.5020	0.001	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMn)(H)2	C(NMnCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMn)(H)2	C(NMnCC)(CHHS)(H)2	H(CCHS)	108.8335	0.159	2	108.8335	0.025	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMo)(H)2	C(NMoCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMo)(H)2	C(NMoCC)(CHHS)(H)2	H(CCHS)	112.6492	2.531	12	112.6492	6.406	12	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMo)(H)2	C(NMoCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMo)(H)2	C(NMoCH)(CHHS)(H)2	H(CCHS)	109.0300	0.464	6	109.0300	0.216	6	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMo)(H)2	C(NMoHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMo)(H)2	C(NMoHH)(CHHS)(H)2	H(CCHS)	109.6581	0.139	8	109.6581	0.019	8	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNi)(H)2	C(NC[6a]NiC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNi)(H)2	C(NC[6a]NiC)(CHHS)(H)2	H(CCHS)	111.5165	1.498	2	111.5165	2.245	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNi)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNi)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.7980	0.661	32	109.7980	0.438	32	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNi)(H)2	C(NNiCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNi)(H)2	C(NNiCH)(CHHS)(H)2	H(CCHS)	110.8500	2.674	2	110.8500	7.152	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNi)(H)2	C(NNiHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNi)(H)2	C(NNiHH)(CHHS)(H)2	H(CCHS)	109.7997	0.082	6	109.7997	0.007	6	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SPb)(H)2	C(NPbCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SPb)(H)2	C(NPbCC)(CHHS)(H)2	H(CCHS)	108.8110	0.324	4	108.8110	0.105	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SPb)(H)2	C(NPbHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SPb)(H)2	C(NPbHH)(CHHS)(H)2	H(CCHS)	108.2292	0.283	4	108.2292	0.080	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SPt)(H)2	C(NPtCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SPt)(H)2	C(NPtCC)(CHHS)(H)2	H(CCHS)	108.7480	0.025	2	108.7480	0.001	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SPt)(H)2	C(NPtHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SPt)(H)2	C(NPtHH)(CHHS)(H)2	H(CCHS)	109.4995	0.005	2	109.4995	0.000	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRe)(H)2	C(NReCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRe)(H)2	C(NReCC)(CHHS)(H)2	H(CCHS)	109.8395	1.692	28	109.8395	2.863	28	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRe)(H)2	C(NReCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRe)(H)2	C(NReCH)(CHHS)(H)2	H(CCHS)	109.9330	0.329	4	109.9330	0.108	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRe)(H)2	C(NReHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRe)(H)2	C(NReHH)(CHHS)(H)2	H(CCHS)	109.1125	3.805	4	109.1125	14.479	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRh)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRh)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	108.9993	0.533	15	108.9993	0.284	15	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SS)(H)2	C(NZnHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SS)(H)2	C(NZnHH)(CHHS)(H)2	H(CCHS)	109.2830	0.000	1	109.2830	0.000	1	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(STc)(H)2	C(NTcCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(STc)(H)2	C(NTcCC)(CHHS)(H)2	H(CCHS)	109.6292	0.152	4	109.6292	0.023	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SV)(H)2	C(NC[6]CV)(CHHS)(H)2	H(CCHS)	C(CHHN)(SV)(H)2	C(NC[6]CV)(CHHS)(H)2	H(CCHS)	112.6475	2.293	4	112.6475	5.259	4	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SZn)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SZn)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	108.9448	0.170	12	108.9448	0.029	12	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SZn)(H)2	C(NZnHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SZn)(H)2	C(NZnHH)(CHHS)(H)2	H(CCHS)	107.1020	6.368	2	107.1020	40.554	2	109.7103	2.958	206	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SNi)(H)2	C(N[6]C[6]2Ni)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SNi)(H)2	C(N[6]C[6]2Ni)(CHHS)(H)2	H(CCHS)	109.9680	0.025	2	109.9680	0.001	2	109.9680	0.001	2	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SC)(H)2	C(PC[6a]2Os)(CHHS)(H)2	H(CCHS)	C(CHHP)(SC)(H)2	C(PC[6a]2Os)(CHHS)(H)2	H(CCHS)	108.9052	0.678	13	108.9052	0.459	13	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SC)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(CHHP)(SC)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	109.6977	0.674	4	109.6977	0.454	4	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SC)(H)2	C(PC[6a]CO)(CHHS)(H)2	H(CCHS)	C(CHHP)(SC)(H)2	C(PC[6a]CO)(CHHS)(H)2	H(CCHS)	110.4110	2.150	6	110.4110	4.621	6	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SC)(H)2	C(PC[6a]CS)(CHHS)(H)2	H(CCHS)	C(CHHP)(SC)(H)2	C(PC[6a]CS)(CHHS)(H)2	H(CCHS)	107.2040	0.363	4	107.2040	0.132	4	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SMo)(H)2	C(PC[5]Mo2)(CHHS)(H)2	H(CCHS)	C(CHHP)(SMo)(H)2	C(PC[5]Mo2)(CHHS)(H)2	H(CCHS)	109.2545	0.029	2	109.2545	0.001	2	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SMo)(H)2	C(PC[6a]MoC)(CHHS)(H)2	H(CCHS)	C(CHHP)(SMo)(H)2	C(PC[6a]MoC)(CHHS)(H)2	H(CCHS)	109.4251	0.249	8	109.4251	0.062	8	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SPd)(H)2	C(PC[6a]PdC)(CHHS)(H)2	H(CCHS)	C(CHHP)(SPd)(H)2	C(PC[6a]PdC)(CHHS)(H)2	H(CCHS)	109.1735	0.122	4	109.1735	0.015	4	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SPt)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(CHHP)(SPt)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	109.5875	0.033	2	109.5875	0.001	2	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SPt)(H)2	C(PC[6a]PtC)(CHHS)(H)2	H(CCHS)	C(CHHP)(SPt)(H)2	C(PC[6a]PtC)(CHHS)(H)2	H(CCHS)	109.1428	0.322	4	109.1428	0.104	4	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:S-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SW)(H)2	C(PC[6a]2W)(CHHS)(H)2	H(CCHS)	C(CHHP)(SW)(H)2	C(PC[6a]2W)(CHHS)(H)2	H(CCHS)	108.4730	0.033	2	108.4730	0.001	2	109.1660	1.245	49	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeC)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	C(CCHH)(SeC)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	109.4952	3.288	12	109.4952	10.810	12	108.9574	1.603	112	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeC)(H)2	C(CSeHH)(CCHN)(H)2	H(CSeCH)	C(CCHH)(SeC)(H)2	C(CSeHH)(CCHN)(H)2	H(CSeCH)	110.0858	1.791	4	110.0858	3.206	4	108.9574	1.603	112	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeC)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	C(CCHH)(SeC)(H)2	C(CSeHH)(CHHS)(H)2	H(CSeCH)	108.6745	0.296	4	108.6745	0.087	4	108.9574	1.603	112	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeC)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(CCHH)(SeC)(H)2	C(CSeHH)2(H)2	H(CSeCH)	108.8560	0.707	78	108.8560	0.499	78	108.9574	1.603	112	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeMg)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	C(CCHH)(SeMg)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	109.2545	0.008	2	109.2545	0.000	2	108.9574	1.603	112	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeP)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	C(CCHH)(SeP)(H)2	C(CSeHH)(CCHH)(H)2	H(CSeCH)	108.7730	0.152	8	108.7730	0.023	8	108.9574	1.603	112	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeP)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(CCHH)(SeP)(H)2	C(CSeHH)2(H)2	H(CSeCH)	108.6958	0.165	4	108.6958	0.027	4	108.9574	1.603	112	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SeC)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	C(CHHN)(SeC)(H)2	C(CSeHH)(NMnCH)(H)2	H(CSeCH)	109.4685	0.026	2	109.4685	0.001	2	109.7430	0.063	5	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SePd)(H)2	C(CSeHH)(NPdCC)(H)2	H(CSeCH)	C(CHHN)(SePd)(H)2	C(CSeHH)(NPdCC)(H)2	H(CSeCH)	109.9260	0.011	2	109.9260	0.000	2	109.7430	0.063	5	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SePt)(H)2	C(CSeHH)(NPtCC)(H)2	H(CSeCH)	C(CHHN)(SePt)(H)2	C(CSeHH)(NPtCC)(H)2	H(CSeCH)	109.9260	0.000	1	109.9260	0.000	1	109.7430	0.063	5	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:Se-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SeC)(H)2	C(C[6]C[6]2C)(CSeHH)(H)2	H(CSeCH)	C(CC[6]HH)(SeC)(H)2	C(C[6]C[6]2C)(CSeHH)(H)2	H(CSeCH)	112.8710	1.504	4	112.8710	2.261	4	112.8710	2.261	4	109.5037	1.512	5491	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)(CC)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.8233	0.072	3	108.8233	0.005	3	107.0666	27.183	17	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CN)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	C(CCHO)(CN)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	106.6902	5.709	14	106.6902	32.590	14	107.0666	27.183	17	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NC)(H)	H(CCHN)	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NC)(H)	H(CCHN)	109.0865	0.062	2	109.0865	0.004	2	109.3219	0.076	9	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NC)(H)	H(CCHN)	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NC)(H)	H(CCHN)	109.3891	0.278	7	109.3891	0.077	7	109.3219	0.076	9	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC)(H)2	C(CClHH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NC)(H)2	C(CClHH)(CHHN)(OH)(H)	H(CCHN)	109.1055	0.030	2	109.1055	0.001	2	109.3376	0.194	39	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC)(H)2	C(CHHN)(CH3)(OP)(H)	H(CCHN)	C(CCHO)(NC)(H)2	C(CHHN)(CH3)(OP)(H)	H(CCHN)	109.1295	0.034	4	109.1295	0.001	4	109.3376	0.194	39	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.4103	0.471	25	109.4103	0.221	25	109.3376	0.194	39	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NC)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	H(CCHN)	109.7083	0.054	4	109.7083	0.003	4	109.3376	0.194	39	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NPt)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NPt)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	108.8367	0.150	4	108.8367	0.023	4	109.3376	0.194	39	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(CC)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(CC)(H)	H(CCHO)	109.3160	0.074	4	109.3160	0.005	4	109.3160	0.005	4	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NC)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NC)(H)	H(CCHO)	109.3762	0.560	6	109.3762	0.314	6	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NC)(H)	H(CCHO)	109.2852	0.371	14	109.2852	0.138	14	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NS)(H)	H(CCHO)	109.1675	0.238	6	109.1675	0.057	6	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NC)(H)	H(CCHO)	108.6295	0.698	4	108.6295	0.487	4	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NS)(H)	H(CCHO)	108.8370	0.034	2	108.8370	0.001	2	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NC)(H)	H(CCHO)	106.8925	1.589	2	106.8925	2.525	2	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CHHS)(NC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CHHS)(NC)(H)	H(CCHO)	108.8830	0.035	2	108.8830	0.001	2	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NC)(H)	H(CCHO)	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NC)(H)	H(CCHO)	109.8537	0.373	9	109.8537	0.139	9	109.1929	0.575	45	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OC)(H)	H(CCHO)	111.8397	2.094	6	111.8397	4.385	6	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	H(CCHO)	110.2070	0.091	8	110.2070	0.008	8	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OSi)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OSi)(H)	H(CCHO)	110.5455	0.015	2	110.5455	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OC)(H)	H(CCHO)	110.4370	0.000	1	110.4370	0.000	1	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OH)(H)	H(CCHO)	108.7910	0.016	2	108.7910	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCFF)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCFF)(CHHO)(OC)(H)	H(CCHO)	109.6305	0.022	2	109.6305	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCHO)	110.0753	1.218	6	110.0753	1.482	6	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCHN)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCHN)(CHHO)(OH)(H)	H(CCHO)	106.3300	3.321	2	106.3300	11.026	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	109.9520	0.460	60	109.9520	0.212	60	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OH)(H)	H(CCHO)	109.9943	0.635	9	109.9943	0.403	9	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OS)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OS)(H)	H(CCHO)	109.3024	0.341	8	109.3024	0.117	8	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[3]CH)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[3]CH)(CHHO)(OC)(H)	H(CCHO)	110.2040	0.928	2	110.2040	0.861	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[4]HO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[4]HO)(CHHO)(OC)(H)	H(CCHO)	108.6140	0.041	2	108.6140	0.002	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	H(CCHO)	109.7380	0.858	4	109.7380	0.736	4	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[6]HO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[6]HO)(CHHO)(OC)(H)	H(CCHO)	109.9158	0.437	13	109.9158	0.191	13	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[6a]2H)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[6a]2H)(CHHO)(OH)(H)	H(CCHO)	109.5180	1.359	2	109.5180	1.847	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HH)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[6a]HH)(CHHO)(OC)(H)	H(CCHO)	110.3730	0.016	2	110.3730	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	H(CCHO)	109.9423	0.719	6	109.9423	0.517	6	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OP)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OP)(H)	H(CCHO)	110.3445	0.036	2	110.3445	0.001	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	H(CCHO)	110.0335	0.103	10	110.0335	0.011	10	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	H(CCHO)	108.7020	0.008	2	108.7020	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CClCH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CClCH)(CHHO)(OH)(H)	H(CCHO)	110.6255	0.047	2	110.6255	0.002	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHO)	109.6564	0.443	5	109.6564	0.196	5	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHO)	109.9172	0.890	4	109.9172	0.791	4	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CHHO)(CH3)(OC)(H)	H(CCHO)	110.1948	0.655	12	110.1948	0.429	12	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CHHO)2(OC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CHHO)2(OC)(H)	H(CCHO)	110.0305	0.052	2	110.0305	0.003	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	H(CCHO)	109.5405	1.645	2	109.5405	2.707	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCCH)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCCH)(CHHO)(OC)(H)	H(CCHO)	108.6850	0.000	1	108.6850	0.000	1	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCCN)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCCN)(CHHO)(OH)(H)	H(CCHO)	109.3700	0.000	1	109.3700	0.000	1	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OC)(H)	H(CCHO)	109.4327	0.224	3	109.4327	0.050	3	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OH)(H)	H(CCHO)	109.8080	0.113	3	109.8080	0.013	3	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OH)(H)	H(CCHO)	109.1705	0.012	2	109.1705	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OSi)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OSi)(H)	H(CCHO)	109.5020	0.000	1	109.5020	0.000	1	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCHN)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCHN)(CHHO)(OH)(H)	H(CCHO)	109.3295	1.187	4	109.3295	1.409	4	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	109.4474	0.183	14	109.4474	0.033	14	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	H(CCHO)	109.3333	1.119	139	109.3333	1.251	139	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CC[3x6]HN)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CC[3x6]HN)(CHHO)(OH)(H)	H(CCHO)	109.1750	0.000	1	109.1750	0.000	1	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CC[5]HH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CC[5]HH)(CHHO)(OH)(H)	H(CCHO)	109.2365	0.047	2	109.2365	0.002	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	H(CCHO)	110.3672	2.643	5	110.3672	6.987	5	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CC[6]CH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CC[6]CH)(CHHO)(OH)(H)	H(CCHO)	109.3650	0.010	2	109.3650	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CC[6a]HO)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CC[6a]HO)(CHHO)(OH)(H)	H(CCHO)	107.6298	1.179	4	107.6298	1.391	4	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CHHO)(CHNN)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CHHO)(CHNN)(OH)(H)	H(CCHO)	109.7485	0.037	2	109.7485	0.001	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CHHO)2(OC)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CHHO)2(OC)(H)	H(CCHO)	108.9900	0.924	6	108.9900	0.854	6	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CHHO)2(OH)(H)	H(CCHO)	109.1556	0.645	46	109.1556	0.416	46	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CCHO)	110.5140	0.075	2	110.5140	0.006	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OH)(H)2	C(CSiCO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OH)(H)2	C(CSiCO)(CHHO)(OC)(H)	H(CCHO)	108.9625	0.062	2	108.9625	0.004	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(ON)(H)2	C(CCHO)(CHHO)(ON)(H)	H(CCHO)	C(CCHO)(ON)(H)2	C(CCHO)(CHHO)(ON)(H)	H(CCHO)	110.7892	0.105	4	110.7892	0.011	4	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OSi)(H)2	C(CCCH)(CHHO)(OH)(H)	H(CCHO)	C(CCHO)(OSi)(H)2	C(CCCH)(CHHO)(OH)(H)	H(CCHO)	110.1773	0.157	4	110.1773	0.025	4	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OSi)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OSi)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCHO)	109.9285	0.013	2	109.9285	0.000	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(OSi)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	C(CCHO)(OSi)(H)2	C(CCHO)(CHHO)(OC)(H)	H(CCHO)	109.5235	0.120	2	109.5235	0.014	2	109.5937	1.047	430	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[3,5]-4:C-4:O-2:H-1:	C-4:	C(CC[3,5]HO)(OC)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	H(CCHO)	C(CC[3,5]HO)(OC)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	H(CCHO)	110.3730	0.011	2	110.3730	0.000	2	110.3730	0.000	2	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(OH)(H)	H(CCHO)	C(CC[3]HO)(OC)(H)2	C(C[3]C[3]2H)(CHHO)(OH)(H)	H(CCHO)	110.2125	0.035	2	110.2125	0.001	2	110.2125	0.001	2	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[4,5]-4:C-4:O-2:H-1:	C-4:	C(CC[4,5]HO)(OH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	H(CCHO)	C(CC[4,5]HO)(OH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	H(CCHO)	109.5757	0.159	3	109.5757	0.025	3	109.5757	0.025	3	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(OH)(H)2	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[4]HO)(OH)(H)2	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	H(CCHO)	110.0130	2.178	2	110.0130	4.743	2	110.0130	4.743	2	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6]HO)(OC)(H)2	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	H(CCHO)	C(CC[5,6]HO)(OC)(H)2	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	H(CCHO)	108.6690	0.045	2	108.6690	0.002	2	109.5775	0.329	8	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6]HO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5,6]HO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	H(CCHO)	109.8803	0.140	6	109.8803	0.020	6	109.5775	0.329	8	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(OC)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	H(CCHO)	C(CC[5]HN)(OC)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	H(CCHO)	109.7670	0.082	2	109.7670	0.007	2	109.5846	0.139	14	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(CCHO)	C(CC[5]HN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(CCHO)	110.2765	0.011	2	110.2765	0.000	2	109.5846	0.139	14	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(CCHO)	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	H(CCHO)	109.4098	0.230	10	109.4098	0.053	10	109.5846	0.139	14	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	109.2935	0.030	2	109.2935	0.001	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OC)(H)	H(CCHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OC)(H)	H(CCHO)	110.5575	0.008	2	110.5575	0.000	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(CCHO)	110.1375	0.013	2	110.1375	0.000	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(CCHO)	110.3830	0.103	4	110.3830	0.011	4	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(CCHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(CCHO)	110.3995	1.134	14	110.3995	1.286	14	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	110.0660	0.260	4	110.0660	0.068	4	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	H(CCHO)	C(CC[5]HO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	H(CCHO)	109.9335	0.053	2	109.9335	0.003	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OC[5])(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OC[5])(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	108.8290	0.000	1	108.8290	0.000	1	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	109.4465	0.060	4	109.4465	0.004	4	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	H(CCHO)	109.5325	0.487	2	109.5325	0.237	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	H(CCHO)	109.3295	0.193	6	109.3295	0.037	6	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	H(CCHO)	109.5330	0.098	4	109.5330	0.010	4	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(OH)(H)	H(CCHO)	108.8808	0.074	4	108.8808	0.005	4	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	H(CCHO)	108.9785	0.006	2	108.9785	0.000	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	H(CCHO)	109.1666	0.392	5	109.1666	0.154	5	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	H(CCHO)	108.9995	0.015	2	108.9995	0.000	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	109.4680	0.896	67	109.4680	0.802	67	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	H(CCHO)	106.2630	5.078	2	106.2630	25.791	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OH)(H)2	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OH)(H)2	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	H(CCHO)	109.2900	0.034	2	109.2900	0.001	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OS)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	111.8710	4.368	4	111.8710	19.080	4	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	H(CCHO)	109.4165	0.018	2	109.4165	0.000	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[5]HO)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	H(CCHO)	109.5300	0.047	2	109.5300	0.002	2	109.6055	1.588	139	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	H(CCHO)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	H(CCHO)	109.9685	0.012	2	109.9685	0.000	2	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	H(CCHO)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	H(CCHO)	110.4495	1.051	2	110.4495	1.106	2	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	H(CCHO)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	H(CCHO)	110.2650	0.079	4	110.2650	0.006	4	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[6]HO)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(CCHO)	109.6950	0.344	4	109.6950	0.118	4	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OH)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[6]HO)(OH)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	H(CCHO)	109.4041	0.307	31	109.4041	0.095	31	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(OH)(H)	H(CCHO)	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]2C)(CHHO)(OH)(H)	H(CCHO)	109.3876	0.436	8	109.3876	0.190	8	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(CCHO)	C(CC[6]HO)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	H(CCHO)	109.5128	0.212	5	109.5128	0.045	5	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	H(CCHO)	C(CC[6]HO)(OP)(H)2	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	H(CCHO)	109.2200	0.245	10	109.2200	0.060	10	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OS)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	H(CCHO)	C(CC[6]HO)(OS)(H)2	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	H(CCHO)	110.0195	0.047	2	110.0195	0.002	2	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	H(CCHO)	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	H(CCHO)	109.2230	0.199	2	109.2230	0.040	2	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	H(CCHO)	C(CC[6]HO)(OSi)(H)2	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	H(CCHO)	109.3645	0.087	2	109.3645	0.008	2	109.5039	0.184	72	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(SC)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCHS)	C(CCHN)(SC)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCHS)	107.8715	0.033	2	107.8715	0.001	2	108.5775	0.666	4	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(SS)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCHS)	C(CCHN)(SS)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCHS)	109.2835	0.059	2	109.2835	0.003	2	108.5775	0.666	4	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SC)(H)2	C(CClHH)(CHHS)(OC)(H)	H(CCHS)	C(CCHO)(SC)(H)2	C(CClHH)(CHHS)(OC)(H)	H(CCHS)	108.6350	0.007	2	108.6350	0.000	2	109.6022	0.529	20	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SC)(H)2	C(CHHN)(CHHS)(OGa)(H)	H(CCHS)	C(CCHO)(SC)(H)2	C(CHHN)(CHHS)(OGa)(H)	H(CCHS)	109.8518	0.271	6	109.8518	0.073	6	109.6022	0.529	20	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SC)(H)2	C(CHHN)(CHHS)(OH)(H)	H(CCHS)	C(CCHO)(SC)(H)2	C(CHHN)(CHHS)(OH)(H)	H(CCHS)	108.3370	0.016	2	108.3370	0.000	2	109.6022	0.529	20	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SRe)(H)2	C(CCHO)(CHHS)(ORe)(H)	H(CCHS)	C(CCHO)(SRe)(H)2	C(CCHO)(CHHS)(ORe)(H)	H(CCHS)	109.7395	0.090	2	109.7395	0.008	2	109.6022	0.529	20	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SRe)(H)2	C(CHHS)(CH3)(ORe)(H)	H(CCHS)	C(CCHO)(SRe)(H)2	C(CHHS)(CH3)(ORe)(H)	H(CCHS)	110.4625	0.446	4	110.4625	0.199	4	109.6022	0.529	20	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SSn)(H)2	C(CCHO)(CHHS)(OH)(H)	H(CCHS)	C(CCHO)(SSn)(H)2	C(CCHO)(CHHS)(OH)(H)	H(CCHS)	109.4153	0.408	4	109.4153	0.166	4	109.6022	0.529	20	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(SH)(H)2	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	H(CCHS)	C(CC[5]HO)(SH)(H)2	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	H(CCHS)	108.8215	0.029	2	108.8215	0.001	2	108.8215	0.001	2	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SeC)(H)2	C(CSeHH)(CH3)(OP)(H)	H(CSeCH)	C(CCHO)(SeC)(H)2	C(CSeHH)(CH3)(OP)(H)	H(CSeCH)	107.8398	1.202	4	107.8398	1.444	4	107.8398	1.444	4	109.4853	1.601	816	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(OP)(H)2	C(CFHH)(CHHO)(OH)2	H(CCHO)	C(CCOO)(OP)(H)2	C(CFHH)(CHHO)(OH)2	H(CCHO)	108.9885	0.052	2	108.9885	0.003	2	108.9885	0.003	2	108.3398	0.175	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:2:2:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:S-2:S-2:	C-4:	C(CCSS)(SC)(H)2	C(CHHS)2(SC)2	H(CCHS)	C(CCSS)(SC)(H)2	C(CHHS)2(SC)2	H(CCHS)	108.1544	0.228	7	108.1544	0.052	7	108.1544	0.052	7	108.3398	0.175	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	109.2540	0.078	3	109.2540	0.006	3	109.2942	0.064	9	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CC)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CCCH)	C(CCCH)(CC)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CCCH)	109.3462	0.401	4	109.3462	0.161	4	109.2942	0.064	9	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CN)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CN)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	109.2505	0.023	2	109.2505	0.001	2	109.2942	0.064	9	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CC)(H)2	C(CCFH)(CCHH)(NCS)(H)	H(CCCH)	C(CCHN)(CC)(H)2	C(CCFH)(CCHH)(NCS)(H)	H(CCCH)	109.4945	2.077	2	109.4945	4.313	2	109.0670	1.083	6	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CC)(H)2	C(CC[6a]HH)(CCHH)(NCS)(H)	H(CCCH)	C(CCHN)(CC)(H)2	C(CC[6a]HH)(CCHH)(NCS)(H)	H(CCCH)	108.5740	0.491	2	108.5740	0.241	2	109.0670	1.083	6	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	C(CCHN)(CN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	109.1325	0.030	2	109.1325	0.001	2	109.0670	1.083	6	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(CCCH)	C(CC[5]CH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(CCCH)	108.9850	0.103	4	108.9850	0.011	4	108.9850	0.011	4	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NC)(H)2	C(CCCH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NC)(H)2	C(CCCH)(CHHN)(NCH)(H)	H(CCHN)	109.3755	0.069	4	109.3755	0.005	4	109.1604	0.276	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NC)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NC)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCHN)	109.1359	0.173	10	109.1359	0.030	10	109.1604	0.276	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	H(CCHN)	109.2160	0.106	4	109.2160	0.011	4	109.1604	0.276	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	109.4355	0.033	2	109.4355	0.001	2	109.1604	0.276	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NN)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NN)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCHN)	109.6040	0.241	7	109.6040	0.058	7	109.1604	0.276	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NP)(H)2	C(CHHN)(CC3)(NCH)(H)	H(CCHN)	C(CCHN)(NP)(H)2	C(CHHN)(CC3)(NCH)(H)	H(CCHN)	108.0370	0.526	4	108.0370	0.276	4	109.1604	0.276	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CCH)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CCH)(H)	H(CCHO)	109.1080	0.180	4	109.1080	0.032	4	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CC[3]HO)(CHHO)(CCO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CC[3]HO)(CHHO)(CCO)(H)	H(CCHO)	110.2620	0.000	1	110.2620	0.000	1	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCC)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCC)(H)	H(CCHO)	109.9850	0.021	2	109.9850	0.000	2	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCH)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCH)(H)	H(CCHO)	110.2644	0.953	9	110.2644	0.908	9	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)(CCO)(H)	H(CCHO)	109.7605	0.021	2	109.7605	0.000	2	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CCH)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CCH)(H)	H(CCHO)	109.4300	0.020	2	109.4300	0.000	2	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCCN)(CHHO)(CCH)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCCN)(CHHO)(CCH)(H)	H(CCHO)	109.3300	0.171	4	109.3300	0.029	4	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(COO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(COO)(H)	H(CCHO)	110.2260	0.000	1	110.2260	0.000	1	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OP)(H)2	C(CHHO)2(COO)(H)	H(CCHO)	C(CCCH)(OP)(H)2	C(CHHO)2(COO)(H)	H(CCHO)	110.4320	0.100	4	110.4320	0.010	4	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CCH)(H)	H(CCHO)	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CCH)(H)	H(CCHO)	110.6795	0.209	2	110.6795	0.044	2	109.9374	0.519	31	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCH)(H)	H(CCHO)	111.0935	0.443	2	111.0935	0.197	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCO)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCO)(H)	H(CCHO)	109.9100	0.017	2	109.9100	0.000	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NHS)(H)	H(CCHO)	110.3740	0.017	2	110.3740	0.000	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NPdC)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NPdC)(H)	H(CCHO)	109.4483	0.121	4	109.4483	0.015	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCFF)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCFF)(CHHO)(NCH)(H)	H(CCHO)	109.3945	0.004	2	109.3945	0.000	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCHO)	108.8703	0.117	12	108.8703	0.014	12	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCHO)	110.2003	0.203	6	110.2003	0.041	6	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CCHO)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CCHO)(CHHO)(NCH)(H)	H(CCHO)	111.0550	5.011	2	111.0550	25.106	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	H(CCHO)	109.9440	0.374	4	109.9440	0.140	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	H(CCHO)	109.1821	0.354	51	109.1821	0.125	51	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CCHO)	110.3370	0.013	2	110.3370	0.000	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CC[6a]HO)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CC[6a]HO)(CHHO)(NCH)(H)	H(CCHO)	109.8995	0.083	8	109.8995	0.007	8	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCC)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCC)(H)	H(CCHO)	110.0047	0.328	7	110.0047	0.107	7	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CHHO)(CH3)(NCH)(H)	H(CCHO)	110.1547	0.391	7	110.1547	0.153	7	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NCH)(H)	H(CCHO)	109.3375	0.540	17	109.3375	0.291	17	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NHH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NHH)(H)	H(CCHO)	109.6600	0.950	2	109.6600	0.903	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NPdC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NPdC)(H)	H(CCHO)	108.5632	0.151	4	108.5632	0.023	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCFH)(CHHO)(NHH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCFH)(CHHO)(NHH)(H)	H(CCHO)	108.0580	0.791	2	108.0580	0.625	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCHO)	108.8190	0.168	7	108.8190	0.028	7	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCHO)	109.1728	0.429	24	109.1728	0.184	24	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHH)(H)	H(CCHO)	108.8870	0.123	2	108.8870	0.015	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHS)(H)	H(CCHO)	109.9020	0.000	1	109.9020	0.000	1	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NMnC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NMnC)(H)	H(CCHO)	109.6620	0.520	3	109.6620	0.271	3	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHN)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHN)(CHHO)(NCC)(H)	H(CCHO)	110.6120	1.669	4	110.6120	2.786	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCC)(H)	H(CCHO)	109.1213	0.750	4	109.1213	0.563	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCH)(H)	H(CCHO)	109.2115	0.674	2	109.2115	0.454	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NHS)(H)	H(CCHO)	110.0325	0.039	2	110.0325	0.002	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CCHO)	109.8680	0.030	2	109.8680	0.001	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	H(CCHO)	108.9400	0.197	15	108.9400	0.039	15	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NHS)(H)	H(CCHO)	109.5010	0.047	2	109.5010	0.002	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HN)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HN)(CHHO)(NHS)(H)	H(CCHO)	110.1570	0.000	1	110.1570	0.000	1	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NHH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NHH)(H)	H(CCHO)	109.5625	0.013	2	109.5625	0.000	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCC)(H)	H(CCHO)	108.7380	0.016	2	108.7380	0.000	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCH)(H)	H(CCHO)	107.5627	1.086	4	107.5627	1.179	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCC)(H)	H(CCHO)	108.9372	0.359	5	108.9372	0.129	5	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NCH)(H)	H(CCHO)	109.3572	0.454	10	109.3572	0.206	10	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NHS)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NHS)(H)	H(CCHO)	109.0412	0.058	4	109.0412	0.003	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)2(NCC)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)2(NCC)(H)	H(CCHO)	109.3560	0.496	11	109.3560	0.246	11	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)2(NOO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)2(NOO)(H)	H(CCHO)	109.2258	0.018	4	109.2258	0.000	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OIr)(H)2	C(CC[6a]HH)(CHHO)(NIrC)(H)	H(CCHO)	C(CCHN)(OIr)(H)2	C(CC[6a]HH)(CHHO)(NIrC)(H)	H(CCHO)	109.4635	0.054	2	109.4635	0.003	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(ON)(H)2	C(CHHO)2(NOO)(H)	H(CCHO)	C(CCHN)(ON)(H)2	C(CHHO)2(NOO)(H)	H(CCHO)	109.0055	0.035	2	109.0055	0.001	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NCH)(H)	H(CCHO)	C(CCHN)(OP)(H)2	C(CHHO)(CC3)(NCH)(H)	H(CCHO)	109.5050	0.567	6	109.5050	0.321	6	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OS)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CCHO)	C(CCHN)(OS)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CCHO)	110.1815	0.084	4	110.1815	0.007	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OSi)(H)2	C(CCCO)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OSi)(H)2	C(CCCO)(CHHO)(NHS)(H)	H(CCHO)	109.8347	0.051	7	109.8347	0.003	7	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OSi)(H)2	C(CCHO)(CHHO)(NCC)(H)	H(CCHO)	C(CCHN)(OSi)(H)2	C(CCHO)(CHHO)(NCC)(H)	H(CCHO)	109.8830	0.011	2	109.8830	0.000	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OSi)(H)2	C(CC[5a]HH)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OSi)(H)2	C(CC[5a]HH)(CHHO)(NHS)(H)	H(CCHO)	109.8160	0.208	4	109.8160	0.043	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OSi)(H)2	C(CC[6a]2H)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OSi)(H)2	C(CC[6a]2H)(CHHO)(NHS)(H)	H(CCHO)	110.0430	0.047	2	110.0430	0.002	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OSi)(H)2	C(CN[6]CC)(CHHO)(NHS)(H)	H(CCHO)	C(CCHN)(OSi)(H)2	C(CN[6]CC)(CHHO)(NHS)(H)	H(CCHO)	109.7583	0.141	4	109.7583	0.020	4	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OSn)(H)2	C(CCHH)(CHHO)(NSnC)(H)	H(CCHO)	C(CCHN)(OSn)(H)2	C(CCHH)(CHHO)(NSnC)(H)	H(CCHO)	109.0915	0.863	2	109.0915	0.745	2	109.3847	0.524	282	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OFeC)(H)	H(CCHO)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OFeC)(H)	H(CCHO)	109.8325	0.503	4	109.8325	0.253	4	109.8325	0.253	4	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(COO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(COO)(H)	H(CCHO)	110.2120	0.000	1	110.2120	0.000	1	109.4449	0.648	119	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(CNO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(CNO)(H)	H(CCHO)	109.5795	0.455	14	109.5795	0.207	14	109.4449	0.648	119	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(COO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(NH3)(COO)(H)	H(CCHO)	109.2384	0.882	80	109.2384	0.778	80	109.4449	0.648	119	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(OP)(H)2	C(CHHO)(NH3)(COO)(H)	H(CCHO)	C(CCHN)(OP)(H)2	C(CHHO)(NH3)(COO)(H)	H(CCHO)	110.0227	0.036	24	110.0227	0.001	24	109.4449	0.648	119	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[4]-4:C-4:N-3:H-1:	C-4:	C(CC[4]HN)(OC)(H)2	C(C[4]C[4]2N)(CHHO)(NCH)(H)	H(CCHO)	C(CC[4]HN)(OC)(H)2	C(C[4]C[4]2N)(CHHO)(NCH)(H)	H(CCHO)	109.8755	1.824	2	109.8755	3.326	2	109.8755	3.326	2	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(CCH)(H)	H(CCHO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CHHO)(CCH)(H)	H(CCHO)	110.5460	0.017	2	110.5460	0.000	2	110.0400	0.286	5	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(COO)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(COO)(H)	H(CCHO)	109.2630	0.000	1	109.2630	0.000	1	110.0400	0.286	5	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	H(CCHO)	109.9225	0.016	2	109.9225	0.000	2	110.0400	0.286	5	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(NCH)(H)	H(CCHO)	C(CC[5]HN)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(NCH)(H)	H(CCHO)	108.2060	2.393	2	108.2060	5.726	2	108.7742	2.350	4	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	H(CCHO)	C(CC[5]HN)(OSi)(H)2	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	H(CCHO)	109.3425	0.180	2	109.3425	0.033	2	108.7742	2.350	4	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(H)	H(CCHO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(H)	H(CCHO)	109.2535	0.032	2	109.2535	0.001	2	109.2535	0.001	2	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(NCC)(H)	H(CCHO)	C(CC[6]HN)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(NCC)(H)	H(CCHO)	109.9385	0.120	4	109.9385	0.014	4	109.9385	0.014	4	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NCuHH)(CHHO)(COO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NCuHH)(CHHO)(COO)(H)	H(CCHO)	109.2858	0.703	6	109.2858	0.494	6	109.3535	0.237	14	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NReHH)(CHHO)(COO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NReHH)(CHHO)(COO)(H)	H(CCHO)	109.4042	0.284	8	109.4042	0.081	8	109.3535	0.237	14	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:O-2:H-1:H-1:	Si-4:C-4:C-3:H-1:	C-4:	C(CSiCH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(CCH)(H)	H(CCHO)	C(CSiCH)(OC)(H)2	C(SiC[6a]CC)(CHHO)(CCH)(H)	H(CCHO)	110.6705	0.066	2	110.6705	0.004	2	110.6705	0.004	2	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:P-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(PRe)(H)2	C(CHHP)2(CNO)(H)	H(CCHP)	C(CCCH)(PRe)(H)2	C(CHHP)2(CNO)(H)	H(CCHP)	107.7475	0.295	2	107.7475	0.087	2	107.8175	0.032	6	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:P-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(PW)(H)2	C(CHHP)2(CNO)(H)	H(CCHP)	C(CCCH)(PW)(H)2	C(CHHP)2(CNO)(H)	H(CCHP)	107.8525	0.140	4	107.8525	0.020	4	107.8175	0.032	6	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(SPt)(H)2	C(CHHS)2(CNO)(H)	H(CCHS)	C(CCCH)(SPt)(H)2	C(CHHS)2(CNO)(H)	H(CCHS)	108.3973	0.433	3	108.3973	0.188	3	108.8347	1.344	11	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(SPt)(H)2	C(CHHS)2(COO)(H)	H(CCHS)	C(CCCH)(SPt)(H)2	C(CHHS)2(COO)(H)	H(CCHS)	108.9988	1.324	8	108.9988	1.753	8	108.8347	1.344	11	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(SC)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	C(CCHN)(SC)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	108.5366	0.329	10	108.5366	0.108	10	108.8575	0.979	85	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(SH)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	C(CCHN)(SH)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	109.1085	1.121	53	109.1085	1.257	53	108.8575	0.979	85	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(SS)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	C(CCHN)(SS)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	108.3986	0.574	22	108.3986	0.329	22	108.8575	0.979	85	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	C[4]-4:C-4:N-3:H-1:	C-4:	C(CC[4]HN)(SC)(H)2	C(C[4]C[4]2N)(CHHS)(NCH)(H)	H(CCHS)	C(CC[4]HN)(SC)(H)2	C(C[4]C[4]2N)(CHHS)(NCH)(H)	H(CCHS)	109.4970	0.041	2	109.4970	0.002	2	109.4970	0.002	2	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(SC)(H)2	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	H(CCHS)	C(CC[5]HN)(SC)(H)2	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	H(CCHS)	108.2867	0.432	4	108.2867	0.187	4	108.2867	0.187	4	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SCo)(H)2	C(NCoHH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SCo)(H)2	C(NCoHH)(CHHS)(COO)(H)	H(CCHS)	110.1055	0.025	2	110.1055	0.001	2	109.4223	0.051	46	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SMo)(H)2	C(NMoHH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SMo)(H)2	C(NMoHH)(CHHS)(COO)(H)	H(CCHS)	109.4925	0.108	4	109.4925	0.012	4	109.4223	0.051	46	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SNi)(H)2	C(NNiCH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SNi)(H)2	C(NNiCH)(CHHS)(COO)(H)	H(CCHS)	109.6165	0.012	2	109.6165	0.000	2	109.4223	0.051	46	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SPd)(H)2	C(NPdHH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SPd)(H)2	C(NPdHH)(CHHS)(COO)(H)	H(CCHS)	109.3741	0.166	19	109.3741	0.028	19	109.4223	0.051	46	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:S-2:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SPt)(H)2	C(NPtHH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SPt)(H)2	C(NPtHH)(CHHS)(COO)(H)	H(CCHS)	109.3633	0.184	19	109.3633	0.034	19	109.4223	0.051	46	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(SeC)(H)2	C(CC[6a]HH)(CSeHH)(NHH)(H)	H(CSeCH)	C(CCHN)(SeC)(H)2	C(CC[6a]HH)(CSeHH)(NHH)(H)	H(CSeCH)	108.6070	0.000	1	108.6070	0.000	1	108.7650	0.158	5	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:Se-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(SeSe)(H)2	C(CSeHH)(CCCH)(NHS)(H)	H(CSeCH)	C(CCHN)(SeSe)(H)2	C(CSeHH)(CCCH)(NHS)(H)	H(CSeCH)	108.8045	0.447	4	108.8045	0.200	4	108.7650	0.158	5	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:1:	4:	C-4:Se-2:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(SeSe)(H)2	C(CSeHH)(NH3)(COO)(H)	H(CSeCH)	C(CCHN)(SeSe)(H)2	C(CSeHH)(NH3)(COO)(H)	H(CSeCH)	108.7575	0.067	2	108.7575	0.005	2	108.7575	0.005	2	109.3166	0.643	680	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(OH)(H)2	C(CHHO)(CH3)(CCC)(OH)	H(CCHO)	C(CCCO)(OH)(H)2	C(CHHO)(CH3)(CCC)(OH)	H(CCHO)	109.4760	0.031	2	109.4760	0.001	2	109.4760	0.001	2	109.4009	0.022	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(NCH)(CN)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(NCH)(CN)	H(CCHO)	109.2382	0.037	4	109.2382	0.001	4	109.2382	0.001	4	109.4009	0.022	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:2:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	H(CCHO)	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CCO)(OH)	H(CCHO)	109.5220	0.146	4	109.5220	0.021	4	109.5220	0.021	4	109.4009	0.022	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:2:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-3:O-2:	C-4:	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(OH)	H(CCHO)	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(COO)(OH)	H(CCHO)	109.4090	0.006	2	109.4090	0.000	2	109.4090	0.000	2	109.4009	0.022	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CC)(H)2	C(CCHH)2(CCN)(CNO)	H(CCCH)	C(CC3)(CC)(H)2	C(CCHH)2(CCN)(CNO)	H(CCCH)	108.8588	0.057	4	108.8588	0.003	4	108.8585	0.112	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CC)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CC3)(CC)(H)2	C(CCHH)2(COO)2	H(CCCH)	109.1272	0.221	6	109.1272	0.049	6	108.8585	0.112	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CC)(H)2	C(CC[5a]HH)(CCHH)(COO)2	H(CCCH)	C(CC3)(CC)(H)2	C(CC[5a]HH)(CCHH)(COO)2	H(CCCH)	108.6225	0.070	2	108.6225	0.005	2	108.8585	0.112	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CN)(H)2	C(CC[6a]2H)(CCHH)(COO)2	H(CCCH)	C(CC3)(CN)(H)2	C(CC[6a]2H)(CCHH)(COO)2	H(CCCH)	108.2880	0.016	2	108.2880	0.000	2	108.8585	0.112	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CC)(H)2	C(CCCH)(CCHH)(CNO)(NCH)	H(CCCH)	C(CCCN)(CC)(H)2	C(CCCH)(CCHH)(CNO)(NCH)	H(CCCH)	108.5570	4.415	2	108.5570	19.494	2	108.5570	19.494	2	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(OC)(H)2	C(CCCH)(CHHO)(COO)(NHH)	H(CCHO)	C(CCCN)(OC)(H)2	C(CCCH)(CHHO)(COO)(NHH)	H(CCHO)	110.1942	0.373	4	110.1942	0.139	4	110.0226	0.154	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(OC)(H)2	C(CC[6]HH)(CHHO)(COO)(NCH)	H(CCHO)	C(CCCN)(OC)(H)2	C(CC[6]HH)(CHHO)(COO)(NCH)	H(CCHO)	110.2802	0.259	4	110.2802	0.067	4	110.0226	0.154	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NCH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NCH)	H(CCHO)	109.8165	0.381	4	109.8165	0.145	4	110.0226	0.154	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NHS)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)(COO)(NHS)	H(CCHO)	109.5760	0.006	2	109.5760	0.000	2	110.0226	0.154	14	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)2(NCoC)(CHO)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)2(NCoC)(CHO)	H(CCHO)	108.3915	0.054	2	108.3915	0.003	2	108.3915	0.003	2	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:N-3:	C-4:	C(CCNN)(OC)(H)2	C(CHHO)(CH3)(NOO)2	H(CCHO)	C(CCNN)(OC)(H)2	C(CHHO)(CH3)(NOO)2	H(CCHO)	110.7310	1.538	4	110.7310	2.366	4	109.6541	2.990	12	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:N-3:	C-4:	C(CCNN)(OC)(H)2	C(CHHO)2(NOO)2	H(CCHO)	C(CCNN)(OC)(H)2	C(CHHO)2(NOO)2	H(CCHO)	109.1156	1.640	8	109.1156	2.690	8	109.6541	2.990	12	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:3:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(SC)(H)2	C(CCHH)(CHHS)(CCH)(COO)	H(CCHS)	C(CC3)(SC)(H)2	C(CCHH)(CHHS)(CCH)(COO)	H(CCHS)	107.7400	0.018	2	107.7400	0.000	2	107.7400	0.000	2	109.3383	1.665	46	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OFe)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	C(CCCN)(OFe)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	109.4660	0.035	2	109.4660	0.001	2	108.9737	0.468	19	108.9737	0.468	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)2(NCuC)(CH3)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)2(NCuC)(CH3)	H(CCHO)	109.2182	0.991	4	109.2182	0.981	4	108.9737	0.468	19	108.9737	0.468	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)2(NNiC)(CH3)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)2(NNiC)(CH3)	H(CCHO)	108.5796	0.548	9	108.5796	0.301	9	108.9737	0.468	19	108.9737	0.468	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)2(NSnC)(CH3)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)2(NSnC)(CH3)	H(CCHO)	109.0855	0.009	2	109.0855	0.000	2	108.9737	0.468	19	108.9737	0.468	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:3:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OSn)(H)2	C(CHHO)2(NSnC)(CH3)	H(CCHO)	C(CCCN)(OSn)(H)2	C(CHHO)2(NSnC)(CH3)	H(CCHO)	109.6545	0.008	2	109.6545	0.000	2	108.9737	0.468	19	108.9737	0.468	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC)(H)2	C(CCCF)(CCHH)2(H)	H(CCCH)	C(CCCH)(CC)(H)2	C(CCCF)(CCHH)2(H)	H(CCCH)	109.5405	0.011	2	109.5405	0.000	2	109.1052	0.072	13	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(CHHO)(H)	H(CCCH)	108.9250	0.062	7	108.9250	0.004	7	109.1052	0.072	13	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC)(H)2	C(CC[6a]OO)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CC)(H)2	C(CC[6a]OO)(CCHH)(CH3)(H)	H(CCCH)	109.2030	0.255	4	109.2030	0.065	4	109.1052	0.072	13	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.3871	0.259	7	109.3871	0.067	7	109.2084	0.093	13	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NS)(H)2	C(CC[6a]HH)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NS)(H)2	C(CC[6a]HH)(CHHN)(CH3)(H)	H(CCHN)	108.9922	0.270	4	108.9922	0.073	4	109.2084	0.093	13	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.0150	0.062	2	109.0150	0.004	2	109.2084	0.093	13	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(OC)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	H(CCHO)	C(CClCC)(OC)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	H(CCHO)	109.6115	0.025	2	109.6115	0.001	2	109.3632	0.227	12	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(OC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCHO)	C(CClCC)(OC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCHO)	109.8948	0.120	4	109.8948	0.014	4	109.3632	0.227	12	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(OH)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	H(CCHO)	C(CClCC)(OH)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	H(CCHO)	108.9093	0.125	4	108.9093	0.016	4	109.3632	0.227	12	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(OH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCHO)	C(CClCC)(OH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCHO)	108.9600	0.049	2	108.9600	0.002	2	109.3632	0.227	12	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CCHN)(CHHO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHH)(CCHN)(CHHO)(H)	H(CCHO)	109.7152	0.094	4	109.7152	0.009	4	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CCHO)(CHHO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHH)(CCHO)(CHHO)(H)	H(CCHO)	109.9100	0.011	2	109.9100	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHO)	110.0230	0.000	1	110.0230	0.000	1	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	110.0088	0.652	16	110.0088	0.426	16	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	109.6320	0.011	2	109.6320	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	H(CCHO)	109.9313	0.739	10	109.9313	0.546	10	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CCHO)2(CHHO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CCHO)2(CHHO)(H)	H(CCHO)	110.0143	0.118	4	110.0143	0.014	4	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CC[6]HO)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CC[6]HO)(CHHO)(CH3)(H)	H(CCHO)	109.8395	0.069	2	109.8395	0.005	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CCHO)	109.5375	0.052	2	109.5375	0.003	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCHO)	110.2725	0.036	2	110.2725	0.001	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	109.7814	0.512	26	109.7814	0.262	26	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CSnCH)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CSnCH)(CHHO)(CH3)(H)	H(CCHO)	110.3975	0.013	2	110.3975	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)(H)2	C(CSnHH)(CHHO)2(H)	H(CCHO)	C(CCCH)(OC)(H)2	C(CSnHH)(CHHO)2(H)	H(CCHO)	109.8656	0.069	7	109.8656	0.005	7	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OFe)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	C(CCCH)(OFe)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	109.9160	0.000	1	109.9160	0.000	1	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	H(CCHO)	109.8756	0.041	7	109.8756	0.002	7	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CH3)(H)	H(CCHO)	109.1555	0.040	2	109.1555	0.002	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCCO)(CCHO)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCCO)(CCHO)(CHHO)(H)	H(CCHO)	109.1740	0.066	2	109.1740	0.004	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	H(CCHO)	108.7615	0.025	2	108.7615	0.001	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHO)	108.9905	0.008	2	108.9905	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	109.0241	0.089	7	109.0241	0.008	7	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)2(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)2(H)	H(CCHO)	109.0597	0.245	4	109.0597	0.060	4	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	H(CCHO)	109.2570	0.076	4	109.2570	0.006	4	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)(CH3)(H)	H(CCHO)	109.3252	0.668	12	109.3252	0.446	12	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)2(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)2(H)	H(CCHO)	109.4424	1.091	8	109.4424	1.191	8	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[5]HO)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[5]HO)(CHHO)(CH3)(H)	H(CCHO)	110.5565	1.143	2	110.5565	1.307	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[5a]HH)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[5a]HH)(CHHO)(CH3)(H)	H(CCHO)	108.6505	0.039	2	108.6505	0.002	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	H(CCHO)	109.5990	0.020	3	109.5990	0.000	3	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CHHO)2(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CHHO)2(H)	H(CCHO)	109.4337	0.498	3	109.4337	0.248	3	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CCHO)	109.5645	0.488	4	109.5645	0.238	4	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	H(CCHO)	109.7530	0.000	1	109.7530	0.000	1	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	H(CCHO)	109.9855	0.022	2	109.9855	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CHHO)2(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CHHO)2(H)	H(CCHO)	108.9578	0.041	4	108.9578	0.002	4	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	H(CCHO)	109.2800	0.007	2	109.2800	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CCCH)(CHHO)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CCCH)(CHHO)(H)	H(CCHO)	109.5030	0.016	2	109.5030	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	108.4134	1.142	14	108.4134	1.304	14	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OH)(H)2	C(CN[5]CH)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OH)(H)2	C(CN[5]CH)(CHHO)(CH3)(H)	H(CCHO)	109.5845	0.028	2	109.5845	0.001	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(ON)(H)2	C(CHHO)3(H)	H(CCHO)	C(CCCH)(ON)(H)2	C(CHHO)3(H)	H(CCHO)	110.4050	0.773	6	110.4050	0.597	6	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OP)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	C(CCCH)(OP)(H)2	C(CHHO)(CH3)2(H)	H(CCHO)	109.9374	0.227	16	109.9374	0.051	16	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCHO)	110.0200	0.000	1	110.0200	0.000	1	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CCHO)	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CCHO)	110.2320	0.016	2	110.2320	0.000	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCHO)	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCHO)	110.2163	0.271	4	110.2163	0.073	4	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OSi)(H)2	C(CCHO)(CHHO)(CH3)(H)	H(CCHO)	C(CCCH)(OSi)(H)2	C(CCHO)(CHHO)(CH3)(H)	H(CCHO)	109.5150	0.035	2	109.5150	0.001	2	109.6142	0.524	203	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OC)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	H(CCHO)	C(CCHN)(OC)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	H(CCHO)	110.2403	0.066	8	110.2403	0.004	8	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NH3)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NH3)(H)	H(CCHO)	109.9000	1.581	2	109.9000	2.500	2	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(CCHO)	109.8333	0.097	12	109.8333	0.009	12	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NH3)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NH3)(H)	H(CCHO)	109.8280	0.471	4	109.8280	0.222	4	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NC3)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NC3)(H)	H(CCHO)	109.1760	0.389	4	109.1760	0.152	4	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	H(CCHO)	108.6120	0.010	2	108.6120	0.000	2	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NCCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NCCH)(H)	H(CCHO)	109.3846	0.252	10	109.3846	0.064	10	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NH3)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(CH3)(NH3)(H)	H(CCHO)	108.9475	0.025	2	108.9475	0.001	2	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)2(NCCH)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)2(NCCH)(H)	H(CCHO)	109.0335	2.868	12	109.0335	8.227	12	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OP)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	H(CCHO)	C(CCHN)(OP)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	H(CCHO)	112.8915	1.031	4	112.8915	1.064	4	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OP)(H)2	C(CC[5a]HH)(CHHO)(NH3)(H)	H(CCHO)	C(CCHN)(OP)(H)2	C(CC[5a]HH)(CHHO)(NH3)(H)	H(CCHO)	109.8305	2.839	2	109.8305	8.060	2	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OS)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(CCHO)	C(CCHN)(OS)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(CCHO)	110.1035	0.022	2	110.1035	0.000	2	109.7584	2.549	64	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NRhCH)(CHHO)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NRhCH)(CHHO)(H)	H(CCHO)	108.9400	0.038	2	108.9400	0.001	2	108.5937	0.666	15	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(CH3)(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(CHHO)(NCHH)(CH3)(H)	H(CCHO)	108.8625	0.402	11	108.8625	0.162	11	108.5937	0.666	15	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(OIr)(H)2	C(CC[6a]HH)(NIr2C)(CHHO)(H)	H(CCHO)	C(CCHN)(OIr)(H)2	C(CC[6a]HH)(NIr2C)(CHHO)(H)	H(CCHO)	106.7685	0.067	2	106.7685	0.005	2	108.5937	0.666	15	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:P-4:C-4:H-1:	C-4:	C(CCHP)(OC)(H)2	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	H(CCHO)	C(CCHP)(OC)(H)2	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	H(CCHO)	110.1717	0.156	6	110.1717	0.024	6	110.1717	0.024	6	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-4:S-4:S-4:H-1:	C-4:	C(CHSS)(OC)(H)2	C(CHHO)(SCOO)2(H)	H(CCHO)	C(CHSS)(OC)(H)2	C(CHHO)(SCOO)2(H)	H(CCHO)	106.2520	0.857	2	106.2520	0.734	2	106.2520	0.734	2	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(OH)(H)2	C(C[3]C[3]2H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[3]CH)(OH)(H)2	C(C[3]C[3]2H)(CHHO)(CH3)(H)	H(CCHO)	109.2225	0.016	2	109.2225	0.000	2	109.4375	0.064	4	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(OSi)(H)2	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	H(CCHO)	C(CC[3]CH)(OSi)(H)2	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	H(CCHO)	109.6525	0.076	2	109.6525	0.006	2	109.4375	0.064	4	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	H(CCHO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	H(CCHO)	109.0515	0.015	2	109.0515	0.000	2	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(CCHO)	110.0685	0.090	4	110.0685	0.008	4	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(CCHO)	110.1090	1.325	6	110.1090	1.755	6	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(CCHO)	110.1238	0.180	4	110.1238	0.032	4	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	H(CCHO)	110.2205	0.030	2	110.2205	0.001	2	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	H(CCHO)	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	H(CCHO)	109.9295	0.072	4	109.9295	0.005	4	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	H(CCHO)	108.9550	0.010	2	108.9550	0.000	2	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CHHO)(CH3)(H)	H(CCHO)	109.2215	0.451	8	109.2215	0.204	8	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	H(CCHO)	109.4857	0.099	3	109.4857	0.010	3	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	H(CCHO)	109.7370	0.013	2	109.7370	0.000	2	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(CCHO)	109.1665	0.078	4	109.1665	0.006	4	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	H(CCHO)	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	H(CCHO)	109.8510	0.064	4	109.8510	0.004	4	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OS)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[5]CH)(OS)(H)2	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	H(CCHO)	114.4220	1.679	2	114.4220	2.818	2	109.8769	1.402	47	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	H(CCHO)	109.9638	0.080	4	109.9638	0.006	4	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHO)	109.9763	0.338	14	109.9763	0.114	14	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	H(CCHO)	110.0632	0.167	4	110.0632	0.028	4	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	H(CCHO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	H(CCHO)	109.5800	0.057	2	109.5800	0.003	2	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	H(CCHO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	H(CCHO)	110.3100	0.041	2	110.3100	0.002	2	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(CCHO)	110.1600	0.163	6	110.1600	0.027	6	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OC[6])(H)2	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	H(CCHO)	C(CC[6]CH)(OC[6])(H)2	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	H(CCHO)	109.9245	0.023	2	109.9245	0.001	2	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	H(CCHO)	109.6620	0.733	3	109.6620	0.537	3	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	H(CCHO)	109.9805	0.025	2	109.9805	0.001	2	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHO)	110.0317	1.894	7	110.0317	3.586	7	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	H(CCHO)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	H(CCHO)	109.4180	0.293	4	109.4180	0.086	4	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	H(CCHO)	108.9732	0.131	10	108.9732	0.017	10	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OS)(H)2	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	H(CCHO)	C(CC[6]CH)(OS)(H)2	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	H(CCHO)	109.9725	0.011	2	109.9725	0.000	2	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHO)	C(CC[6]CH)(OS)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(H)	H(CCHO)	109.5588	0.186	4	109.5588	0.035	4	109.7745	0.542	66	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(OH)(H)2	C(NC[6]HH)(CHHO)2(H)	H(CCHO)	C(CCHN)(OH)(H)2	C(NC[6]HH)(CHHO)2(H)	H(CCHO)	109.5207	0.031	4	109.5207	0.001	4	109.2279	0.243	10	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(OIr)(H)2	C(NC[6]Ir2)(CCHH)(CHHO)(H)	H(CCHO)	C(CCHN)(OIr)(H)2	C(NC[6]Ir2)(CCHH)(CHHO)(H)	H(CCHO)	108.8925	0.025	2	108.8925	0.001	2	109.2279	0.243	10	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(OIr)(H)2	C(NIr2C)(CHHO)(CH3)(H)	H(CCHO)	C(CCHN)(OIr)(H)2	C(NIr2C)(CHHO)(CH3)(H)	H(CCHO)	108.4805	0.064	2	108.4805	0.004	2	109.2279	0.243	10	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(OIr)(H)2	C(NIrCH)(CCHH)(CHHO)(H)	H(CCHO)	C(CCHN)(OIr)(H)2	C(NIrCH)(CCHH)(CHHO)(H)	H(CCHO)	109.7250	0.045	2	109.7250	0.002	2	109.2279	0.243	10	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(OH)(H)2	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	H(CCHO)	C(CCHP)(OH)(H)2	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	H(CCHO)	109.8300	0.507	4	109.8300	0.257	4	109.8300	0.257	4	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:O-2:H-1:O-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(OH)(H)(O)	C(CCHH)(CHOO)(NH3)(H)	H(CCOO)	C(CCHN)(OH)(H)(O)	C(CCHH)(CHOO)(NH3)(H)	H(CCOO)	90.8673	0.600	4	90.8673	0.360	4	90.8673	0.360	4	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:1:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SC)(H)2	C(CHHN)(CHHS)2(H)	H(CCHS)	C(CCCH)(SC)(H)2	C(CHHN)(CHHS)2(H)	H(CCHS)	108.1790	0.080	7	108.1790	0.006	7	108.1790	0.006	7	109.4223	3.928	470	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CC)(H)2	C(CCCO)(CCHH)(CH3)(OH)	H(CCCH)	C(CCCO)(CC)(H)2	C(CCCO)(CCHH)(CH3)(OH)	H(CCCH)	109.0312	0.033	4	109.0312	0.001	4	109.0312	0.001	4	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(CN)	H(CCHO)	C(CC3)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(CN)	H(CCHO)	110.0360	0.939	2	110.0360	0.882	2	110.0360	0.882	2	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(OC)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCHO)	C(CCCO)(OC)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCHO)	109.8002	0.030	4	109.8002	0.001	4	109.8363	1.609	17	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(OC)(H)2	C(CCHO)(CHHO)(CF3)(OH)	H(CCHO)	C(CCCO)(OC)(H)2	C(CCHO)(CHHO)(CF3)(OH)	H(CCHO)	110.2395	0.025	2	110.2395	0.001	2	109.8363	1.609	17	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(OC)	H(CCHO)	C(CCCO)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(OC)	H(CCHO)	112.5955	1.928	2	112.5955	3.718	2	109.8363	1.609	17	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(OH)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCHO)	C(CCCO)(OH)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCHO)	109.0863	0.737	4	109.0863	0.543	4	109.8363	1.609	17	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(OH)(H)2	C(CCHH)2(CHHO)(OH)	H(CCHO)	C(CCCO)(OH)(H)2	C(CCHH)2(CHHO)(OH)	H(CCHO)	109.5875	0.069	2	109.5875	0.005	2	109.8363	1.609	17	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(OH)(H)2	C(CHHN)(CHHO)2(OH)	H(CCHO)	C(CCCO)(OH)(H)2	C(CHHN)(CHHO)2(OH)	H(CCHO)	108.9420	0.161	3	108.9420	0.026	3	109.8363	1.609	17	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[5,6]-4:C-4:C-4:O-2:	C-4:	C(CC[5,6]CO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	H(CCHO)	C(CC[5,6]CO)(OH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	H(CCHO)	109.1403	0.547	4	109.1403	0.299	4	109.1403	0.299	4	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:	C(CC[5]CN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	H(CCHO)	C(CC[5]CN)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	H(CCHO)	110.1310	0.054	2	110.1310	0.003	2	109.8023	0.145	4	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:	C(CC[5]CN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	H(CCHO)	C(CC[5]CN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	H(CCHO)	109.4735	0.008	2	109.4735	0.000	2	109.8023	0.145	4	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	H(CCHO)	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	H(CCHO)	110.1515	0.069	2	110.1515	0.005	2	109.4541	0.398	12	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	H(CCHO)	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	H(CCHO)	110.0060	0.035	2	110.0060	0.001	2	109.4541	0.398	12	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(OH)(H)2	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	H(CCHO)	C(CC[5]CO)(OH)(H)2	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	H(CCHO)	108.7965	0.021	2	108.7965	0.000	2	109.4541	0.398	12	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(CCHO)	C(CC[5]CO)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	H(CCHO)	109.2568	0.582	6	109.2568	0.339	6	109.4541	0.398	12	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:2:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	H(CCHO)	C(CC[6]CO)(OH)(H)2	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	H(CCHO)	108.7057	0.163	4	108.7057	0.026	4	108.7057	0.026	4	109.5203	0.852	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CC)(H)2	C(CCHH)(CH3)2(CNO)	H(CCCH)	C(CC3)(CC)(H)2	C(CCHH)(CH3)2(CNO)	H(CCCH)	108.4844	1.097	12	108.4844	1.204	12	108.4844	1.204	12	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NN)(H)2	C(CHHN)3(NCH)	H(CCHN)	C(CCCN)(NN)(H)2	C(CHHN)3(NCH)	H(CCHN)	109.8265	0.264	6	109.8265	0.070	6	109.8265	0.070	6	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:N-2:H-1:O-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NH)(H)(O)	C(CHNO)(CH3)2(NCH)	H(CCNO)	C(CCCN)(NH)(H)(O)	C(CHNO)(CH3)2(NCH)	H(CCNO)	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)(CCH)	H(CCHO)	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)(CCH)	H(CCHO)	109.8165	0.012	2	109.8165	0.000	2	109.8442	0.324	21	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(OC)(H)2	C(CHHO)(CC3)(CH3)(CCO)	H(CCHO)	C(CC3)(OC)(H)2	C(CHHO)(CC3)(CH3)(CCO)	H(CCHO)	110.8443	0.150	3	110.8443	0.023	3	109.8442	0.324	21	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(OC)(H)2	C(CHHO)(CH3)2(COO)	H(CCHO)	C(CC3)(OC)(H)2	C(CHHO)(CH3)2(COO)	H(CCHO)	109.8680	0.244	8	109.8680	0.060	8	109.8442	0.324	21	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(OH)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	H(CCHO)	C(CC3)(OH)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	H(CCHO)	108.9977	0.151	4	108.9977	0.023	4	109.8442	0.324	21	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(ON)(H)2	C(CHHO)(CH3)2(CNO)	H(CCHO)	C(CC3)(ON)(H)2	C(CHHO)(CH3)2(CNO)	H(CCHO)	109.9070	0.151	4	109.9070	0.023	4	109.8442	0.324	21	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NOO)	H(CCHO)	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NOO)	H(CCHO)	109.4875	0.019	2	109.4875	0.000	2	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OCo)(H)2	C(CHHO)3(NCoC)	H(CCHO)	C(CCCN)(OCo)(H)2	C(CHHO)3(NCoC)	H(CCHO)	109.7078	0.251	4	109.7078	0.063	4	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CCHH)(CHHO)2(NNiC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CCHH)(CHHO)2(NNiC)	H(CCHO)	109.0737	0.140	4	109.0737	0.020	4	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCC)	H(CCHO)	109.0023	0.207	8	109.0023	0.043	8	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCH)	H(CCHO)	108.6159	0.870	12	108.6159	0.757	12	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCO)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NCO)	H(CCHO)	109.3200	0.245	5	109.3200	0.060	5	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CHHS)(CH3)(NHS)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CHHS)(CH3)(NHS)	H(CCHO)	109.4085	0.080	2	109.4085	0.006	2	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)2(CH3)(NCH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)2(CH3)(NCH)	H(CCHO)	109.4101	0.558	7	109.4101	0.311	7	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NCC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NCC)	H(CCHO)	109.0808	0.203	6	109.0808	0.041	6	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NCH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NCH)	H(CCHO)	109.1249	1.011	123	109.1249	1.021	123	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NCoC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NCoC)	H(CCHO)	108.8030	0.109	6	108.8030	0.012	6	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NCuC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NCuC)	H(CCHO)	109.5597	0.380	11	109.5597	0.145	11	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NHH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NHH)	H(CCHO)	108.1460	0.947	6	108.1460	0.897	6	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NMoC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NMoC)	H(CCHO)	110.0040	0.000	1	110.0040	0.000	1	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NNiC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NNiC)	H(CCHO)	109.1945	0.419	40	109.1945	0.175	40	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NNiH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NNiH)	H(CCHO)	109.5250	0.058	2	109.5250	0.003	2	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NSnC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NSnC)	H(CCHO)	108.7284	0.616	8	108.7284	0.379	8	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NZnC)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NZnC)	H(CCHO)	109.2526	0.591	16	109.2526	0.349	16	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OMo)(H)2	C(CHHO)3(NMoC)	H(CCHO)	C(CCCN)(OMo)(H)2	C(CHHO)3(NMoC)	H(CCHO)	109.7425	0.015	2	109.7425	0.000	2	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OS)(H)2	C(CHHO)(CH3)2(NOO)	H(CCHO)	C(CCCN)(OS)(H)2	C(CHHO)(CH3)2(NOO)	H(CCHO)	110.1480	0.007	2	110.1480	0.000	2	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OSn)(H)2	C(CHHO)3(NSnC)	H(CCHO)	C(CCCN)(OSn)(H)2	C(CHHO)3(NSnC)	H(CCHO)	109.4037	0.030	3	109.4037	0.001	3	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OZn)(H)2	C(CHHO)3(NZnC)	H(CCHO)	C(CCCN)(OZn)(H)2	C(CHHO)3(NZnC)	H(CCHO)	109.5245	0.037	2	109.5245	0.001	2	109.1406	0.653	272	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:O-2:H-1:H-1:	C[4,6]-4:C-4:C-4:C-3:	C-4:	C(CC[4,6]CC)(OC)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	H(CCHO)	C(CC[4,6]CC)(OC)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	H(CCHO)	110.1645	0.006	2	110.1645	0.000	2	110.1645	0.000	2	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(SC)(H)2	C(CC[6a]HH)(CHHS)(CH3)(CNO)	H(CCHS)	C(CC3)(SC)(H)2	C(CC[6a]HH)(CHHS)(CH3)(CNO)	H(CCHS)	108.8320	0.004	2	108.8320	0.000	2	108.6895	0.027	4	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(SC)(H)2	C(CHHS)(CH3)2(CNO)	H(CCHS)	C(CC3)(SC)(H)2	C(CHHS)(CH3)2(CNO)	H(CCHS)	108.5470	0.006	2	108.5470	0.000	2	108.6895	0.027	4	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(SS)(H)2	C(CHHO)(CHHS)(CH3)(NHS)	H(CCHS)	C(CCCN)(SS)(H)2	C(CHHO)(CHHS)(CH3)(NHS)	H(CCHS)	108.1140	0.013	2	108.1140	0.000	2	108.1543	0.003	4	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(SS)(H)2	C(CHHS)(CH3)2(NHS)	H(CCHS)	C(CCCN)(SS)(H)2	C(CHHS)(CH3)2(NHS)	H(CCHS)	108.1945	0.033	2	108.1945	0.001	2	108.1543	0.003	4	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:3:	4:	C-4:S-2:H-1:H-1:	C[6]-4:C-4:C-4:N-3:	C-4:	C(CC[6]CN)(SC[6])(H)2	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	H(CCHS)	C(CC[6]CN)(SC[6])(H)2	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	H(CCHS)	108.4420	0.016	2	108.4420	0.000	2	108.4420	0.000	2	109.1831	0.881	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CC)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCCH)	C(CC3)(CC)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCCH)	108.7815	0.019	2	108.7815	0.000	2	109.5646	1.366	14	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	108.9373	0.933	6	108.9373	0.871	6	109.5646	1.366	14	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CN)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CC3)(CN)(H)2	C(CCHH)2(CH3)2	H(CCCH)	110.4528	1.008	6	110.4528	1.016	6	109.5646	1.366	14	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Co)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Co)(CCHH)(CH3)2	H(CCCH)	109.2190	0.000	1	109.2190	0.000	1	109.0620	0.049	2	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Ti)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Ti)(CCHH)(CH3)2	H(CCCH)	108.9050	0.000	1	108.9050	0.000	1	109.0620	0.049	2	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NC)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(CC3)(NC)(H)2	C(CHHN)(CH3)3	H(CCHN)	109.0877	0.371	20	109.0877	0.137	20	109.1468	0.206	129	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	H(CCHN)	109.1385	0.402	93	109.1385	0.162	93	109.1468	0.206	129	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NC)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(CC3)(NC)(H)2	C(CHHN)3(CH3)	H(CCHN)	109.3688	1.267	6	109.3688	1.605	6	109.1468	0.206	129	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NC)(H)2	C(CHHN)4	H(CCHN)	C(CC3)(NC)(H)2	C(CHHN)4	H(CCHN)	109.2093	0.214	10	109.2093	0.046	10	109.1468	0.206	129	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(NN)(H)2	C(CHHN)3(NH3)	H(CCHN)	C(CCCN)(NN)(H)2	C(CHHN)3(NH3)	H(CCHN)	109.8808	0.480	22	109.8808	0.230	22	109.8808	0.230	22	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CCCH)(CHHO)(CH3)2	H(CCHO)	C(CC3)(OC)(H)2	C(CCCH)(CHHO)(CH3)2	H(CCHO)	108.9785	0.026	2	108.9785	0.001	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CCHH)(CHHO)3	H(CCHO)	C(CC3)(OC)(H)2	C(CCHH)(CHHO)3	H(CCHO)	110.1623	1.043	16	110.1623	1.087	16	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CCHH)2(CHHO)2	H(CCHO)	C(CC3)(OC)(H)2	C(CCHH)2(CHHO)2	H(CCHO)	109.7344	0.307	8	109.7344	0.094	8	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)2	H(CCHO)	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)2	H(CCHO)	109.5320	0.065	2	109.5320	0.004	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CCHO)	C(CC3)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CCHO)	109.0040	0.014	2	109.0040	0.000	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHO)	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHO)	109.5870	0.368	8	109.5870	0.136	8	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(CC3)(OC)(H)2	C(CHHO)(CH3)3	H(CCHO)	109.8701	0.108	7	109.8701	0.012	7	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CHHO)(CHHP)3	H(CCHO)	C(CC3)(OC)(H)2	C(CHHO)(CHHP)3	H(CCHO)	109.3790	0.016	2	109.3790	0.000	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	H(CCHO)	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	H(CCHO)	109.8144	0.190	37	109.8144	0.036	37	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(CC3)(OC)(H)2	C(CHHO)3(CH3)	H(CCHO)	110.4790	0.081	4	110.4790	0.007	4	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OC)(H)2	C(CHHO)4	H(CCHO)	C(CC3)(OC)(H)2	C(CHHO)4	H(CCHO)	109.7172	0.355	15	109.7172	0.126	15	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OFe)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(CC3)(OFe)(H)2	C(CHHO)(CH3)3	H(CCHO)	108.7193	0.069	4	108.7193	0.005	4	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CCHH)(CHHO)3	H(CCHO)	C(CC3)(OH)(H)2	C(CCHH)(CHHO)3	H(CCHO)	109.3313	1.560	12	109.3313	2.432	12	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CCHH)2(CHHO)2	H(CCHO)	C(CC3)(OH)(H)2	C(CCHH)2(CHHO)2	H(CCHO)	108.8117	0.096	15	108.8117	0.009	15	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	H(CCHO)	C(CC3)(OH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	H(CCHO)	109.0080	0.046	3	109.0080	0.002	3	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CCHO)	C(CC3)(OH)(H)2	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	H(CCHO)	109.4005	0.254	4	109.4005	0.064	4	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CClHH)2(CHHO)2	H(CCHO)	C(CC3)(OH)(H)2	C(CClHH)2(CHHO)2	H(CCHO)	109.5060	0.151	4	109.5060	0.023	4	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CHHO)(CHHP)2(CH3)	H(CCHO)	C(CC3)(OH)(H)2	C(CHHO)(CHHP)2(CH3)	H(CCHO)	108.9095	0.019	2	108.9095	0.000	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CHHO)2(CH3)2	H(CCHO)	C(CC3)(OH)(H)2	C(CHHO)2(CH3)2	H(CCHO)	107.6812	0.916	12	107.6812	0.839	12	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CHHO)2(CHHS)2	H(CCHO)	C(CC3)(OH)(H)2	C(CHHO)2(CHHS)2	H(CCHO)	109.2875	0.020	4	109.2875	0.000	4	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(CC3)(OH)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.5228	0.724	6	108.5228	0.524	6	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CHHO)4	H(CCHO)	C(CC3)(OH)(H)2	C(CHHO)4	H(CCHO)	109.2509	0.521	10	109.2509	0.272	10	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OH)(H)2	C(CN[6]HH)2(CHHO)2	H(CCHO)	C(CC3)(OH)(H)2	C(CN[6]HH)2(CHHO)2	H(CCHO)	109.7385	0.045	2	109.7385	0.002	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(ON)(H)2	C(CHHO)4	H(CCHO)	C(CC3)(ON)(H)2	C(CHHO)4	H(CCHO)	110.3730	0.049	2	110.3730	0.002	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OP)(H)2	C(CBrHH)(CHHO)(CH3)2	H(CCHO)	C(CC3)(OP)(H)2	C(CBrHH)(CHHO)(CH3)2	H(CCHO)	110.4505	0.039	2	110.4505	0.002	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(CC3)(OP)(H)2	C(CHHO)(CH3)3	H(CCHO)	109.6564	0.163	14	109.6564	0.027	14	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	H(CCHO)	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	H(CCHO)	109.5189	0.272	14	109.5189	0.074	14	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OPd)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(CC3)(OPd)(H)2	C(CHHO)(CH3)3	H(CCHO)	109.0348	0.100	4	109.0348	0.010	4	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CCHO)	C(CC3)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CCHO)	110.2895	0.060	2	110.2895	0.004	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OS)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(CC3)(OS)(H)2	C(CHHO)(CH3)3	H(CCHO)	110.0927	0.116	3	110.0927	0.013	3	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OS)(H)2	C(CHHO)(CHHS)2(CH3)	H(CCHO)	C(CC3)(OS)(H)2	C(CHHO)(CHHS)2(CH3)	H(CCHO)	109.5490	0.061	2	109.5490	0.004	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OS)(H)2	C(CHHO)2(CH3)2	H(CCHO)	C(CC3)(OS)(H)2	C(CHHO)2(CH3)2	H(CCHO)	109.8730	0.035	2	109.8730	0.001	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	H(CCHO)	110.1938	0.190	19	110.1938	0.036	19	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OS)(H)2	C(CHHO)4	H(CCHO)	C(CC3)(OS)(H)2	C(CHHO)4	H(CCHO)	110.1662	0.300	22	110.1662	0.090	22	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OSi)(H)2	C(CCHO)(CHHO)(CH3)2	H(CCHO)	C(CC3)(OSi)(H)2	C(CCHO)(CHHO)(CH3)2	H(CCHO)	109.6990	0.048	2	109.6990	0.002	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OSi)(H)2	C(CHHO)4	H(CCHO)	C(CC3)(OSi)(H)2	C(CHHO)4	H(CCHO)	109.6925	0.006	2	109.6925	0.000	2	109.5751	0.617	271	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NH3)	H(CCHO)	C(CCCN)(OC)(H)2	C(CHHO)(CH3)2(NH3)	H(CCHO)	109.7745	0.023	2	109.7745	0.001	2	109.1828	0.250	78	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NH3)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)(CH3)2(NH3)	H(CCHO)	108.9752	0.711	13	108.9752	0.505	13	109.1828	0.250	78	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NCCH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NCCH)	H(CCHO)	109.4122	0.514	6	109.4122	0.264	6	109.1828	0.250	78	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NCHH)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NCHH)	H(CCHO)	108.8620	0.987	6	108.8620	0.975	6	109.1828	0.250	78	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(OH)(H)2	C(CHHO)3(NH3)	H(CCHO)	C(CCCN)(OH)(H)2	C(CHHO)3(NH3)	H(CCHO)	109.2233	0.306	51	109.2233	0.094	51	109.1828	0.250	78	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(OH)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	H(CCHO)	C(CC[3]CC)(OH)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	H(CCHO)	109.5143	0.495	4	109.5143	0.245	4	109.5143	0.245	4	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(OC)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(CCHO)	C(CC[6]CC)(OC)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(CCHO)	109.1610	0.000	1	109.1610	0.000	1	109.2815	0.009	4	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	H(CCHO)	C(CC[6]CC)(OC)(H)2	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	H(CCHO)	109.3217	0.060	3	109.3217	0.004	3	109.2815	0.009	4	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(OH)(H)2	C(NFeCH)(CHHO)3	H(CCHO)	C(CCCN)(OH)(H)2	C(NFeCH)(CHHO)3	H(CCHO)	109.4977	0.228	4	109.4977	0.052	4	109.0903	0.139	12	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(OH)(H)2	C(NNiHH)(CHHO)3	H(CCHO)	C(CCCN)(OH)(H)2	C(NNiHH)(CHHO)3	H(CCHO)	109.1385	0.013	2	109.1385	0.000	2	109.0903	0.139	12	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:O-2:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(OSn)(H)2	C(NSnCC)(CHHO)(CH3)2	H(CCHO)	C(CCCN)(OSn)(H)2	C(NSnCC)(CHHO)(CH3)2	H(CCHO)	108.8027	0.206	6	108.8027	0.042	6	109.0903	0.139	12	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(SC)(H)2	C(CHHO)2(CHHS)2	H(CCHS)	C(CC3)(SC)(H)2	C(CHHO)2(CHHS)2	H(CCHS)	108.3868	0.084	4	108.3868	0.007	4	108.3264	0.024	5	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(SFe)(H)2	C(CHHS)(CH3)3	H(CCHS)	C(CC3)(SFe)(H)2	C(CHHS)(CH3)3	H(CCHS)	108.0850	0.000	1	108.0850	0.000	1	108.3264	0.024	5	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:4:4:4:	4:	C-4:S-2:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(SC[6a])(H)2	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	H(CCHS)	C(CC[5]CC)(SC[6a])(H)2	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	H(CCHS)	107.8080	0.605	2	107.8080	0.366	2	107.8080	0.366	2	109.3959	0.508	543	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	4:5:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:C-5:H-1:H-1:	C-4:	C(CCHH)(OC)(H)2	C(CHHO)(CH4)(H)2	H(CCHO)	C(CCHH)(OC)(H)2	C(CHHO)(CH4)(H)2	H(CCHO)	109.8560	0.057	2	109.8560	0.003	2	109.8560	0.003	2	109.8560	0.003	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	5:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	H(CCCH)	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	H(CCCH)	109.3260	0.018	2	109.3260	0.000	2	109.3500	0.001	4	109.5833	0.131	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	5:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	H(CCCH)	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	H(CCCH)	109.3740	0.021	2	109.3740	0.000	2	109.3500	0.001	4	109.5833	0.131	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	5:4:1:1:	4:	C-4:O-2:H-1:H-1:	As[5,5]-5:C-4:H-1:H-1:	C-4:	C(CAs[5,5]HH)(OH)(H)2	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	H(CCHO)	C(CAs[5,5]HH)(OH)(H)2	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	H(CCHO)	110.0500	0.020	2	110.0500	0.000	2	110.0500	0.000	2	109.5833	0.131	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	5:4:4:1:	4:	C-4:H-2:H-1:H-1:	Si-5:C-4:C-4:H-1:	C-4:	C(CSiCH)(HTh)(H)2	C(SiThCCN)(CH3)2(H)	H(CCHH)	C(CSiCH)(HTh)(H)2	C(SiThCCN)(CH3)2(H)	H(CCHH)	109.4248	0.066	4	109.4248	0.004	4	109.4248	0.004	4	109.4248	0.004	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	6:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	H(CCHO)	109.5235	0.008	2	109.5235	0.000	2	109.6315	0.021	4	109.3152	0.253	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	6:4:1:1:	4:	C-4:O-2:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	H(CCHO)	109.7395	0.122	2	109.7395	0.015	2	109.6315	0.021	4	109.3152	0.253	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:1:1:	6:4:1:1:	4:	C-4:S-2:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	H(CCHS)	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	H(CCHS)	108.6825	0.046	2	108.6825	0.002	2	108.6825	0.002	2	109.3152	0.253	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:3:3:4:	4:	C-4:C-2:C-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(CN)2(H)	C(C[6a]C[6a]2)3(CCCH)	H(CC3)	C(CC[6a]3)(CN)2(H)	C(C[6a]C[6a]2)3(CCCH)	H(CC3)	107.3650	1.011	2	107.3650	1.022	2	107.3650	1.022	2	107.3650	1.022	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:3:4:1:	4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	H(CCOO)	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CN[5]O)(CHOO)(H)	H(CCOO)	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:C-2:C-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)2(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CN)2(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:C-2:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:C-2:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC)(OC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(CC)(OC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O-2:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC[6a])(CC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(OC[6a])(CC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(H)2	H(CCOO)	C(CC[6a]HH)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(H)2	H(CCOO)	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O-2:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)2(H)	C(NC[3,6]C)(CHOO)(H)2	H(CCOO)	C(CHHN)(OC)2(H)	C(NC[3,6]C)(CHOO)(H)2	H(CCOO)	59.8051	0.000	1	59.8051	0.000	1	59.8051	0.000	1	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O-2:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6]C[5])(CHOO)(H)2	H(CCOO)	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6]C[5])(CHOO)(H)2	H(CCOO)	110.3470	0.000	1	110.3470	0.000	1	109.6072	0.916	4	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O-2:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	H(CCOO)	C(CN[5]HH)(OC)2(H)	C(N[5]C[5,6a]C[5])(CHOO)(H)2	H(CCOO)	109.9275	0.302	2	109.9275	0.091	2	109.6072	0.916	4	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O-2:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OC)2(H)	C(N[5]C[5]2)(CHOO)(H)2	H(CCOO)	C(CN[5]HH)(OC)2(H)	C(N[5]C[5]2)(CHOO)(H)2	H(CCOO)	108.2270	0.000	1	108.2270	0.000	1	109.6072	0.916	4	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:1:1:	4:	C-4:O-2:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OC)2(H)	C(N[6]C[6,6]C[6])(CHOO)(H)2	H(CCOO)	C(CN[6]HH)(OC)2(H)	C(N[6]C[6,6]C[6])(CHOO)(H)2	H(CCOO)	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	104.6193	221.961	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:2:1:	4:	C-4:S-2:S-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SC[6a])(SC[6])(H)	C(C[6a]C[6a]2)(CHSS)(OH)(H)	H(CCSS)	C(CC[6a]HO)(SC[6a])(SC[6])(H)	C(C[6a]C[6a]2)(CHSS)(OH)(H)	H(CCSS)	108.0465	1.961	2	108.0465	3.845	2	108.0465	3.845	2	108.0465	3.845	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:3:1:	4:	C-4:C-2:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a])(NN)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	C(CC[6a]HN)(CC[6a])(NN)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:3:2:	4:	C-4:C-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	H(CCCO)	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	H(CCCO)	108.6660	0.000	1	108.6660	0.000	1	108.4090	0.132	2	109.3334	0.748	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:3:2:	4:	C-4:C-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	H(CCCO)	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	H(CCCO)	108.1520	0.000	1	108.1520	0.000	1	108.4090	0.132	2	109.3334	0.748	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:3:2:	4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	H(CCOO)	C(CC[6a]CO)(OC)2(H)	C(C[6a]C[6a]2)(CHOO)(COO)(OC)	H(CCOO)	109.9497	0.082	3	109.9497	0.007	3	109.9497	0.007	3	109.3334	0.748	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:4:1:	4:	C-4:C-2:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	H(CC3)	C(CC[6a]CH)(CN)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	H(CC3)	107.5285	0.121	2	107.5285	0.015	2	107.5285	0.015	2	107.6445	0.193	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:4:1:	4:	C-4:C-2:C-2:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CN)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	H(CC3)	C(CC[6a]C[6]H)(CN)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	H(CC3)	107.5630	0.581	3	107.5630	0.337	3	107.5630	0.337	3	107.6445	0.193	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:4:1:	4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	H(CCOO)	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	H(CCOO)	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	107.6445	0.193	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:4:2:	4:	C-4:S-2:S-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(SC[6a])(SC[6])(H)	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	H(CCSS)	C(CC[6a]CO)(SC[6a])(SC[6])(H)	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	H(CCSS)	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	3:4:4:4:	4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	H(CCOO)	C(CC[6a]CC)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	H(CCOO)	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	110.8510	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:1:1:1:	4:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.7225	0.252	48	108.7225	0.064	48	108.7225	0.064	48	108.7761	1.052	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:1:1:1:	4:	C-4:N-2:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(NC)(OH)(H)	C(CHNO)(Cl)3	H(CCNO)	C(CCl3)(NC)(OH)(H)	C(CHNO)(Cl)3	H(CCNO)	106.1580	0.000	1	106.1580	0.000	1	106.1580	0.000	1	108.7761	1.052	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:1:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(OH)2(H)	C(CHOO)(Cl)3	H(CCOO)	C(CCl3)(OH)2(H)	C(CHOO)(Cl)3	H(CCOO)	108.0133	2.580	3	108.0133	6.655	3	108.0133	6.655	3	108.7761	1.052	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:1:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OC)2(H)	C(CHOO)(H)3	H(CCOO)	C(CH3)(OC)2(H)	C(CHOO)(H)3	H(CCOO)	112.5165	1.654	2	112.5165	2.735	2	112.5165	2.735	2	108.7761	1.052	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:2:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OC)2(H)	C(CHOO)(OC)(H)2	H(CCOO)	C(CHHO)(OC)2(H)	C(CHOO)(OC)(H)2	H(CCOO)	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	109.4120	8.946	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:2:1:1:	4:	C-4:S-2:S-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SC)2(H)	C(CHSS)(OC)(H)2	H(CCSS)	C(CHHO)(SC)2(H)	C(CHSS)(OC)(H)2	H(CCSS)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	109.4120	8.946	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:2:2:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	H(CCCO)	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	H(CCCO)	110.0010	0.621	3	110.0010	0.386	3	109.8890	0.307	4	106.2738	41.671	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:2:2:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(CN)(OH)(H)	C(CCHO)(CN)(OH)(H)	H(CCCO)	C(CCHO)(CN)(OH)(H)	C(CCHO)(CN)(OH)(H)	H(CCCO)	109.5530	0.000	1	109.5530	0.000	1	109.8890	0.307	4	106.2738	41.671	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:2:2:1:	4:	C-4:O-2:O-2:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(OC)2(H)	C(CHOO)(OC)2(H)	H(CCOO)	C(CHOO)(OC)2(H)	C(CHOO)(OC)2(H)	H(CCOO)	96.8509	0.115	2	96.8509	0.013	2	101.4536	63.561	3	106.2738	41.671	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:2:2:1:	4:	C-4:O-2:O-2:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(ON)2(H)	C(CHOO)(ON)2(H)	H(CCOO)	C(CHOO)(ON)2(H)	C(CHOO)(ON)2(H)	H(CCOO)	110.6590	0.000	1	110.6590	0.000	1	101.4536	63.561	3	106.2738	41.671	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:1:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CC)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	109.3376	1.209	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NCC)(H)2	H(CCOO)	C(CHHN)(OC)2(H)	C(CHOO)(NCC)(H)2	H(CCOO)	107.5110	0.095	2	107.5110	0.009	2	109.3685	1.295	13	109.3376	1.209	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NCH)(H)2	H(CCOO)	C(CHHN)(OC)2(H)	C(CHOO)(NCH)(H)2	H(CCOO)	109.9504	0.666	8	109.9504	0.444	8	109.3685	1.295	13	109.3376	1.209	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NCS)(H)2	H(CCOO)	C(CHHN)(OC)2(H)	C(CHOO)(NCS)(H)2	H(CCOO)	110.3530	0.000	1	110.3530	0.000	1	109.3685	1.295	13	109.3376	1.209	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OC)2(H)	C(CHOO)(NHP)(H)2	H(CCOO)	C(CHHN)(OC)2(H)	C(CHOO)(NHP)(H)2	H(CCOO)	108.4060	0.000	2	108.4060	0.000	2	109.3685	1.295	13	109.3376	1.209	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:2:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-3:C-2:H-1:	C-4:	C(CCCH)(CC)(OH)(H)	C(CCHO)(CCH)(CC)(H)	H(CCCO)	C(CCCH)(CC)(OH)(H)	C(CCHO)(CCH)(CC)(H)	H(CCCO)	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.3710	0.023	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:2:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CN)(OC)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	C(CCHO)(CN)(OC)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.3710	0.023	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:3:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CC)(OH)(H)	C(CCHO)(COO)(NHS)(H)	H(CCCO)	C(CCHN)(CC)(OH)(H)	C(CCHO)(COO)(NHS)(H)	H(CCCO)	108.1120	0.000	2	108.1120	0.000	2	108.1120	0.000	2	108.1120	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:3:4:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(OC)2(H)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	H(CCOO)	C(CCCH)(OC)2(H)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	H(CCOO)	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:C-2:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(CN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CC)(CN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.8690	0.201	2	107.8690	0.040	2	107.6130	0.217	3	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:C-2:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)2(H)	C(CC[6a]2H)(CCCH)(H)2	H(CC3)	C(CCHH)(CN)2(H)	C(CC[6a]2H)(CCCH)(H)2	H(CC3)	107.1010	0.000	1	107.1010	0.000	1	107.6130	0.217	3	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:	C(CCl2C)(CC)(OH)(H)	C(CCCH)(CCHO)(Cl)2	H(CCCO)	C(CCl2C)(CC)(OH)(H)	C(CCCH)(CCHO)(Cl)2	H(CCCO)	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.6830	0.000	1	109.6830	0.000	1	109.0895	0.970	4	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.3605	0.865	2	108.3605	0.748	2	109.0895	0.970	4	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN)(OS)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	C(CCHH)(CN)(OS)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	109.9540	0.000	1	109.9540	0.000	1	109.0895	0.970	4	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:C-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CN)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	109.0487	0.253	3	109.0487	0.064	3	109.0487	0.064	3	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(OH)(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	C(CCHH)(OC)(OH)(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	108.4880	0.000	1	108.4880	0.000	1	109.3199	3.021	10	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)(ON)(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	C(CCHH)(OC)(ON)(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	110.5430	0.000	1	110.5430	0.000	1	109.3199	3.021	10	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)2(H)	C(CCCO)(CHOO)(H)2	H(CCOO)	C(CCHH)(OC)2(H)	C(CCCO)(CHOO)(H)2	H(CCOO)	112.0395	1.006	2	112.0395	1.012	2	109.3199	3.021	10	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)2(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	C(CCHH)(OC)2(H)	C(CCHH)(CHOO)(H)2	H(CCOO)	108.0320	0.148	2	108.0320	0.022	2	109.3199	3.021	10	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)2(H)	C(CCHO)(CHOO)(H)2	H(CCOO)	C(CCHH)(OC)2(H)	C(CCHO)(CHOO)(H)2	H(CCOO)	108.1700	0.000	1	108.1700	0.000	1	109.3199	3.021	10	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OC)2(H)	C(CC[6]HH)(CHOO)(H)2	H(CCOO)	C(CCHH)(OC)2(H)	C(CC[6]HH)(CHOO)(H)2	H(CCOO)	108.6183	1.236	3	108.6183	1.527	3	109.3199	3.021	10	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C-4:P-4:F-1:F-1:	C-4:	C(CFFP)(OH)2(H)	C(CHOO)(PO3)(F)2	H(CCOO)	C(CFFP)(OH)2(H)	C(CHOO)(PO3)(F)2	H(CCOO)	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC)2(H)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	H(CCOO)	C(CC[5]HH)(OC)2(H)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	H(CCOO)	109.0505	1.261	2	109.0505	1.590	2	110.4840	6.960	3	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OC[6])(OC)(H)	C(C[5]C[5]2C)(CHOO)(H)2	H(CCOO)	C(CC[5]HH)(OC[6])(OC)(H)	C(C[5]C[5]2C)(CHOO)(H)2	H(CCOO)	113.3510	0.000	1	113.3510	0.000	1	110.4840	6.960	3	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC)2(H)	C(C[6]C[6]2H)(CHOO)(H)2	H(CCOO)	C(CC[6]HH)(OC)2(H)	C(C[6]C[6]2H)(CHOO)(H)2	H(CCOO)	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)2(H)	C(NCoCH)(CHOO)(H)2	H(CCOO)	C(CHHN)(OC)2(H)	C(NCoCH)(CHOO)(H)2	H(CCOO)	113.1290	0.000	1	113.1290	0.000	1	110.0710	7.046	3	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:O-2:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OC)2(H)	C(NCoHH)(CHOO)(H)2	H(CCOO)	C(CHHN)(OC)2(H)	C(NCoHH)(CHOO)(H)2	H(CCOO)	108.5420	0.256	2	108.5420	0.066	2	110.0710	7.046	3	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:1:1:	4:	C-4:S-2:S-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SC[6a])2(H)	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	H(CCSS)	C(CC[6]HH)(SC[6a])2(H)	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	H(CCSS)	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	109.1818	2.897	30	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:2:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC)(OC)(H)	C(CCHO)(CHHN)(OC)(H)	H(CCCO)	C(CCHO)(CC)(OC)(H)	C(CCHO)(CHHN)(OC)(H)	H(CCCO)	109.9040	0.000	1	109.9040	0.000	1	109.4380	0.434	2	109.4380	0.434	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:2:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC)(OH)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	C(CCHO)(CC)(OH)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	108.9720	0.000	1	108.9720	0.000	1	109.4380	0.434	2	109.4380	0.434	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:3:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(OC[6])(OC)(H)	C(CHOO)(CH3)(CCO)(Br)	H(CCOO)	C(CBrCC)(OC[6])(OC)(H)	C(CHOO)(CH3)(CCO)(Br)	H(CCOO)	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	110.0877	0.334	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:3:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)2(H)	C(CCHH)(CHOO)(NCC)(H)	H(CCOO)	C(CCHN)(OC)2(H)	C(CCHH)(CHOO)(NCC)(H)	H(CCOO)	110.6060	0.000	1	110.6060	0.000	1	110.3990	0.086	2	110.0877	0.334	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:3:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OC)2(H)	C(CCHO)(CHOO)(NOO)(H)	H(CCOO)	C(CCHN)(OC)2(H)	C(CCHO)(CHOO)(NOO)(H)	H(CCOO)	110.1920	0.000	1	110.1920	0.000	1	110.3990	0.086	2	110.0877	0.334	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:1:	4:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC)(NS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CC)(NS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	109.1994	0.523	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	H(CCCO)	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	H(CCCO)	108.7620	0.385	2	108.7620	0.148	2	108.6800	0.094	3	109.1994	0.523	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:1:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CC)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.5160	0.000	1	108.5160	0.000	1	108.6800	0.094	3	109.1994	0.523	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:1:	4:	C-4:O-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(OC)2(H)	C(CHOO)(CH3)2(H)	H(CCOO)	C(CCCH)(OC)2(H)	C(CHOO)(CH3)2(H)	H(CCOO)	109.7847	0.224	3	109.7847	0.050	3	109.7847	0.050	3	109.1994	0.523	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:1:	4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(OC)2(H)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	H(CCOO)	C(CC[5]CH)(OC)2(H)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	H(CCOO)	109.7150	0.133	2	109.7150	0.018	2	109.7150	0.018	2	109.1994	0.523	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:2:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CC)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	C(CCCO)(CC)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:3:	4:	C-4:C-2:C-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CN)2(H)	C(CCCH)(CH3)2(CCH)	H(CC3)	C(CC3)(CN)2(H)	C(CCCH)(CH3)2(CCH)	H(CC3)	107.8160	0.195	2	107.8160	0.038	2	107.8160	0.038	2	108.9832	1.832	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:3:	4:	C-4:O-2:O-2:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(OH)2(H)	C(NCoHH)(CHOO)(CH3)(COO)	H(CCOO)	C(CCCN)(OH)2(H)	C(NCoHH)(CHOO)(CH3)(COO)	H(CCOO)	110.1505	0.093	2	110.1505	0.009	2	110.1505	0.009	2	108.9832	1.832	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:4:	4:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CC)(NS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CC)(NS)(H)	C(CCHN)(CH3)3	H(CCCN)	107.3440	0.000	1	107.3440	0.000	1	108.3113	0.736	3	108.7676	0.829	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:4:	4:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CN)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CN)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	108.7950	0.262	2	108.7950	0.068	2	108.3113	0.736	3	108.7676	0.829	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:4:	4:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CC)(OC)(H)	C(CCHO)(CHHO)(CH3)2	H(CCCO)	C(CC3)(CC)(OC)(H)	C(CCHO)(CHHO)(CH3)2	H(CCCO)	109.0760	0.000	1	109.0760	0.000	1	109.0760	0.000	1	108.7676	0.829	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:2:1:	4:4:4:4:	4:	C-4:O-2:O-2:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(OC)2(H)	C(C[5]C[5]2Zr)(CHOO)(CH3)2	H(CCOO)	C(CC[5]CC)(OC)2(H)	C(C[5]C[5]2Zr)(CHOO)(CH3)2	H(CCOO)	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	108.7676	0.829	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	3:4:1:1:	4:	C-4:N-2:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NP[5])(COO)(H)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NP[5])(COO)(H)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	H(CCCN)	109.7980	0.000	1	109.7980	0.000	1	109.7980	0.000	1	109.6736	0.411	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	3:4:1:1:	4:	C-4:N-2:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5])(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NC[5])(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.6736	0.411	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	3:4:1:1:	4:	C-4:O-2:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(ON[6])(CHO)(H)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(ON[6])(CHO)(H)	C(C[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	109.6736	0.411	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	3:4:1:1:	4:	C-4:O-2:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OC[6])(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(OC[6])(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.4730	0.444	2	109.4730	0.197	2	109.4730	0.197	2	109.6736	0.411	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	3:4:2:1:	4:	C-4:O-2:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OC[6a])(COO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(OC[6a])(COO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	109.6465	0.120	2	109.6465	0.014	2	109.6465	0.014	2	109.6465	0.014	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	3:4:3:1:	4:	C-4:S-2:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(SC[6a])(CNO)(H)	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	H(CCCS)	C(CC[6a]HN)(SC[6a])(CNO)(H)	C(C[6a]C[6a]2)(CCHS)(NCH)(H)	H(CCCS)	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	3:4:4:1:	4:	C-4:S-2:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(SC[6a])(CNO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCS)	C(CC[6a]CH)(SC[6a])(CNO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCS)	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	108.2460	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:3:1:	4:4:1:1:	4:	C-4:O-2:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OC[6])(CCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(OC[6])(CCH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:3:4:1:	4:	C-4:S-2:C-4:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	H(CCCS)	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	H(CCCS)	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	107.9415	1.389	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:3:4:1:	4:	C-4:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(SC[6a])(CHHN)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	H(CCCS)	C(CC[6a]2H)(SC[6a])(CHHN)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	H(CCCS)	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	107.9415	1.389	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:3:4:1:	4:	C-4:Se-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)2(CSeCH)(H)	H(CSeCC)	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)2(CSeCH)(H)	H(CSeCC)	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	107.9415	1.389	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:3:4:1:	4:	C-4:Se-2:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	H(CSeCC)	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	H(CSeCC)	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	107.9415	1.389	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:1:1:	4:	C-4:N-2:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC[6a])(CH3)(H)	C(C[6]C[6]2)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(NC[6a])(CH3)(H)	C(C[6]C[6]2)(CCHN)(H)2	H(CCCN)	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	108.4640	0.844	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:1:1:	4:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.5260	0.000	1	109.5260	0.000	1	109.5260	0.000	1	108.4640	0.844	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:1:1:	4:	C-4:O-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	108.7390	0.443	2	108.7390	0.196	2	108.8047	0.111	3	108.4640	0.844	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:1:1:	4:	C-4:O-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	108.9360	0.000	1	108.9360	0.000	1	108.8047	0.111	3	108.4640	0.844	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:1:1:	4:	C-4:Se-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(N[5a]N[5a]2)(CSeCH)(H)2	H(CSeCC)	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(N[5a]N[5a]2)(CSeCH)(H)2	H(CSeCC)	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	108.4640	0.844	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:2:1:	4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	109.6060	0.007	2	109.6060	0.000	2	109.3000	0.845	11	109.2672	0.781	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:2:1:	4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	109.5349	0.480	8	109.5349	0.231	8	109.3000	0.845	11	109.2672	0.781	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:2:1:	4:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(ON[6])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(ON[6])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	106.8090	0.000	1	106.8090	0.000	1	109.3000	0.845	11	109.2672	0.781	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:2:1:	4:	C-4:Se-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	H(CSeCC)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	H(CSeCC)	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	109.2672	0.781	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:3:1:	4:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	H(CCCN)	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	H(CCCN)	108.6370	0.000	1	108.6370	0.000	1	109.2545	0.763	2	109.1132	0.312	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:3:1:	4:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	H(CCCN)	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	H(CCCN)	109.8720	0.000	1	109.8720	0.000	1	109.2545	0.763	2	109.1132	0.312	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:3:1:	4:	C-4:S-2:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	H(CCCS)	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	H(CCCS)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	109.1132	0.312	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:3:1:	4:	C-4:S-2:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(SC[6])(CH3)(H)	C(N[5]C[5]2)(CCHS)(COO)(H)	H(CCCS)	C(CN[5]CH)(SC[6])(CH3)(H)	C(N[5]C[5]2)(CCHS)(COO)(H)	H(CCCS)	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.1132	0.312	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:4:1:	4:	C-4:S-2:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(SC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	H(CCCS)	C(CC[6a]HN)(SC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	H(CCCS)	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.1760	0.040	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	3:4:4:1:	4:	C-4:S-2:C-4:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	H(CCCS)	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	H(CCCS)	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	108.1760	0.040	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:N-2:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(CCHN)(F)3	H(CCCN)	C(CC[6a]CH)(NC[5])(CF3)(H)	C(CCHN)(F)3	H(CCCN)	109.2675	0.924	2	109.2675	0.854	2	109.2675	0.854	2	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(NC[6a])(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6]HH)(NC[6a])(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(Br)(H)2	H(CCCO)	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(Br)(H)2	H(CCCO)	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.6370	0.000	1	109.6370	0.000	1	109.5102	0.019	4	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.5445	0.013	2	109.5445	0.000	2	109.5102	0.019	4	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(ON[6])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]HO)(ON[6])(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.3150	0.000	1	109.3150	0.000	1	109.5102	0.019	4	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:S-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(SC[6a])(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CC[6a]HN)(SC[6a])(CH3)(H)	C(CCHS)(H)3	H(CCCS)	108.3140	0.000	1	108.3140	0.000	1	108.7465	0.374	2	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:S-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(SC[6])(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CN[5]CH)(SC[6])(CH3)(H)	C(CCHS)(H)3	H(CCCS)	109.1790	0.000	1	109.1790	0.000	1	108.7465	0.374	2	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C-4:Se-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(SeSe)(CH3)(H)	C(CSeCH)(H)3	H(CSeCC)	C(CCHN)(SeSe)(CH3)(H)	C(CSeCH)(H)3	H(CSeCC)	106.2285	1.698	2	106.2285	2.882	2	106.2285	2.882	2	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.2180	0.139	2	108.2180	0.019	2	108.2180	0.019	2	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C[5]-4:S-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(SC[6a])(CH3)(H)	C(CC[5]HS)(H)3	H(CC[5]CS)	C(C[5]C[5]2Fe)(SC[6a])(CH3)(H)	C(CC[5]HS)(H)3	H(CC[5]CS)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:1:1:1:	4:	C[6]-4:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(NC[6])(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(NC[6])(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.1475	0.227	2	107.1475	0.052	2	107.1475	0.052	2	108.5216	1.601	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:2:1:1:	4:	C-4:N-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	108.8822	1.432	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:2:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.5206	0.486	8	109.5206	0.236	8	109.4611	0.239	9	108.8822	1.432	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:2:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.9850	0.000	1	108.9850	0.000	1	109.4611	0.239	9	108.8822	1.432	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:2:1:1:	4:	C-4:Se-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	C(CSeCH)(OC)(H)2	H(CSeCC)	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	C(CSeCH)(OC)(H)2	H(CSeCC)	106.9860	0.000	1	106.9860	0.000	1	106.9800	0.000	2	108.8822	1.432	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:2:1:1:	4:	C-4:Se-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	C(CSeCH)(OC)(H)2	H(CSeCC)	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	C(CSeCH)(OC)(H)2	H(CSeCC)	106.9740	0.000	1	106.9740	0.000	1	106.9800	0.000	2	108.8822	1.432	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:2:1:1:	4:	C[5]-4:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C(CC[5]HO)(ON[6])(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C(CC[5]HO)(ON[6])(H)2	H(CC[5]CO)	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	108.8822	1.432	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:3:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	105.2730	0.000	1	105.2730	0.000	1	105.2730	0.000	1	108.4285	6.296	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:3:1:1:	4:	C-4:S-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]2H)(SC[6a])(CHHN)(H)	C(CCHS)(NHS)(H)2	H(CCCS)	C(CC[6a]2H)(SC[6a])(CHHN)(H)	C(CCHS)(NHS)(H)2	H(CCCS)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.4285	6.296	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:3:1:1:	4:	C[5]-4:O-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(COO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(COO)(H)2	H(CC[5]CO)	109.8985	2.136	2	109.8985	4.563	2	109.8985	4.563	2	108.4285	6.296	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:3:3:1:	4:	C-4:Se-2:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SeSe)(CH3)(H)	C(CSeCH)(COO)(NCH)(H)	H(CSeCC)	C(CCHN)(SeSe)(CH3)(H)	C(CSeCH)(COO)(NCH)(H)	H(CSeCC)	106.1600	1.681	2	106.1600	2.827	2	106.1600	2.827	2	106.8343	2.778	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:3:3:1:	4:	C[5]-4:O-2:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C(CC[5]HO)(COO)(NOO)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C(CC[5]HO)(COO)(NOO)(H)	H(CC[5]CO)	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	106.8343	2.778	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	H(CCCO)	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	H(CCCO)	107.8178	1.864	6	107.8178	3.474	6	107.8178	3.474	6	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.4106	1.398	5	108.4106	1.954	5	108.4844	1.350	7	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCo2C)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCo2C)(OC[5])(CCHH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.6690	0.437	2	108.6690	0.191	2	108.4844	1.350	7	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(CC[6a]HH)(CCHS)(H)2	H(CCCS)	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(CC[6a]HH)(CCHS)(H)2	H(CCCS)	109.2470	0.000	1	109.2470	0.000	1	108.6977	0.316	3	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	108.7220	0.000	1	108.7220	0.000	1	108.6977	0.316	3	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	108.1240	0.000	1	108.1240	0.000	1	108.6977	0.316	3	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C-4:S-2:Si-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	H(CSiCS)	C(CC[3]HH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	H(CSiCS)	106.0680	0.000	1	106.0680	0.000	1	106.0680	0.000	1	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(CHHO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CC[5]HO)(CHHO)(H)2	H(CC[5]CO)	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C(CC[5]HH)(CC[5]HS)(H)2	H(CC[5]CS)	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C(CC[5]HH)(CC[5]HS)(H)2	H(CC[5]CS)	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	C[5]-4:Se-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	C(CC[5]SeH)(CClCH)(H)2	H(CC[5]SeC)	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	C(CC[5]SeH)(CClCH)(H)2	H(CC[5]SeC)	106.7060	0.089	2	106.7060	0.008	2	106.7060	0.008	2	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:1:1:	4:	P-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CO)(SC[6a])(CCHH)(H)	C(CHPS)(CC3)(H)2	H(CCPS)	C(PC[6a]CO)(SC[6a])(CCHH)(H)	C(CHPS)(CC3)(H)2	H(CCPS)	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	108.0963	1.998	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:4:1:	4:	C-4:S-2:Si-4:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	H(CSiCS)	C(CC[3]CH)(SC[6a])(SiC3)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	H(CSiCS)	105.7330	0.000	1	105.7330	0.000	1	105.7330	0.000	1	107.3350	5.133	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:4:1:	4:	C-4:Se-2:C-4:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(SC[6a]OO)(CSeCH)(CH3)(H)	H(CSeCC)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(SC[6a]OO)(CSeCH)(CH3)(H)	H(CSeCC)	108.9370	0.000	1	108.9370	0.000	1	108.9370	0.000	1	107.3350	5.133	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:4:4:	4:	C-4:O-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	108.7520	0.437	2	108.7520	0.191	2	108.7520	0.191	2	108.4193	0.427	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:2:4:1:	4:4:4:4:	4:	C-4:Se-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(CSeCH)(CH3)3	H(CSeCC)	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(CSeCH)(CH3)3	H(CSeCC)	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	108.4193	0.427	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:F-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CCH)(F)(H)	C(OC[6a])(CCFH)(H)2	H(CCCF)	C(CHHO)(CCH)(F)(H)	C(OC[6a])(CCFH)(H)2	H(CCCF)	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CCC)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)(CCC)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.8133	0.052	3	108.8133	0.003	3	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CCH)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	C(CHHO)(CCH)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	108.4700	1.184	8	108.4700	1.402	8	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CCH)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CHHO)(CCH)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	108.0905	0.973	4	108.0905	0.946	4	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CCH)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)(CCH)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.2170	1.019	23	109.2170	1.039	23	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CCH)(H)2	C(OP[6])(CCHH)(H)2	H(CCCH)	C(CHHO)(CCH)(H)2	C(OP[6])(CCHH)(H)2	H(CCCH)	108.9767	0.433	19	108.9767	0.187	19	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CCO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CHHO)(CCO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	108.6505	0.023	2	108.6505	0.001	2	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CHH)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)(CHH)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.9450	0.014	2	108.9450	0.000	2	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(COO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)(COO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.5063	0.761	12	108.5063	0.579	12	108.8545	0.745	73	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CCH)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CHHS)(CCH)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	109.2710	0.124	2	109.2710	0.015	2	109.1144	2.930	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CCO)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	C(CHHS)(CCO)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	109.2095	0.006	2	109.2095	0.000	2	109.1144	2.930	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CCO)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHS)(CCO)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.0430	0.041	2	109.0430	0.002	2	109.1144	2.930	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CNO)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHS)(CNO)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	110.2247	1.873	10	110.2247	3.509	10	109.1144	2.930	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	106.3350	1.033	4	106.3350	1.068	4	109.1144	2.930	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	109.0034	0.348	7	109.0034	0.121	7	109.1144	2.930	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.5460	0.000	1	109.5460	0.000	1	109.1144	2.930	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-2:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[6a])(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[6a])(CHHN)(H)2	H(CCHN)	108.9450	0.014	2	108.9450	0.000	2	108.9450	0.000	2	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[6])(CHHN)(H)2	H(CCHN)	109.0768	0.182	8	109.0768	0.033	8	108.9392	0.200	12	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[6a])(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[6a])(CHHN)(H)2	H(CCHN)	108.6640	0.710	4	108.6640	0.505	4	108.9392	0.200	12	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(OB[6])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(OB[6])(CHHN)(H)2	H(CCHN)	108.4905	0.013	2	108.4905	0.000	2	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	108.9045	0.746	148	108.9045	0.557	148	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(OGa[4])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(OGa[4])(CHHN)(H)2	H(CCHN)	108.6118	3.185	6	108.6118	10.144	6	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCH)(H)2	C(OC[6])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCH)(H)2	C(OC[6])(CHHN)(H)2	H(CCHN)	108.6665	0.011	2	108.6665	0.000	2	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCH)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.0515	1.236	147	109.0515	1.527	147	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCH)(H)2	C(OP[5])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCH)(H)2	C(OP[5])(CHHN)(H)2	H(CCHN)	109.6595	0.012	2	109.6595	0.000	2	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCS)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	108.8907	0.460	9	108.8907	0.212	9	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NHP)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NHP)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.0115	0.221	4	109.0115	0.049	4	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NNiC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NNiC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.1540	0.025	2	109.1540	0.001	2	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NZnC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NZnC)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.0585	0.060	2	109.0585	0.004	2	108.9699	1.119	324	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(SC[5])(CHHN)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(SC[5])(CHHN)(H)2	H(CCHN)	108.9915	0.243	6	108.9915	0.059	6	109.2609	0.291	40	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(SC[5a])(CHHN)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(SC[5a])(CHHN)(H)2	H(CCHN)	108.8400	0.020	2	108.8400	0.000	2	109.2609	0.291	40	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.2303	0.618	10	109.2303	0.383	10	109.2609	0.291	40	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(SIn[5])(CHHN)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(SIn[5])(CHHN)(H)2	H(CCHN)	109.0835	0.005	2	109.0835	0.000	2	109.2609	0.291	40	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(SC[5])(CHHN)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(SC[5])(CHHN)(H)2	H(CCHN)	109.4175	0.626	14	109.4175	0.392	14	109.2609	0.291	40	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.4350	0.621	4	109.4350	0.385	4	109.2609	0.291	40	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NPdC)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(CHHS)(NPdC)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.3765	0.033	2	109.3765	0.001	2	109.2609	0.291	40	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:N-3:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(NCC)(H)2	C(SeC[5])(CHHN)(H)2	H(CCHN)	C(CSeHH)(NCC)(H)2	C(SeC[5])(CHHN)(H)2	H(CCHN)	108.9870	0.420	28	108.9870	0.176	28	108.9870	0.176	28	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OBe2)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OBe2)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	109.4340	0.028	2	109.4340	0.001	2	109.3909	0.058	14	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OCaC)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OCaC)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	109.2237	0.107	8	109.2237	0.011	8	109.3909	0.058	14	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(OLiC)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	C(CHHO)(OLiC)(H)2	C(OC[6a])(CHHO)(H)2	H(CCHO)	109.7035	0.129	4	109.7035	0.017	4	109.3909	0.058	14	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:1:1:	4:	C-4:S-3:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(SPdC)(H)2	C(OC[6a])(CHHS)(H)2	H(CCHS)	C(CHHO)(SPdC)(H)2	C(OC[6a])(CHHS)(H)2	H(CCHS)	111.5705	6.006	4	111.5705	36.071	4	111.5705	36.071	4	109.0152	1.247	526	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:2:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:O-2:H-1:	C-4:	C(CHOO)(COO)(H)2	C(OC[6a])(CCHH)(OC)(H)	H(CCCH)	C(CHOO)(COO)(H)2	C(OC[6a])(CCHH)(OC)(H)	H(CCCH)	108.9655	0.066	2	108.9655	0.004	2	108.9655	0.004	2	108.9655	0.004	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:3:1:	4:	C-4:C-3:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHS)(CCC)(H)2	C(SC[6a])(CCHH)(CCH)(H)	H(CCCH)	C(CCHS)(CCC)(H)2	C(SC[6a])(CCHH)(CCH)(H)	H(CCCH)	108.9545	0.026	2	108.9545	0.001	2	108.9545	0.001	2	109.0263	0.007	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:3:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(NCS)(H)2	C(OC[6a])(CHHN)(CCH)(H)	H(CCHN)	C(CCHO)(NCS)(H)2	C(OC[6a])(CHHN)(CCH)(H)	H(CCHN)	109.0980	0.013	2	109.0980	0.000	2	109.0980	0.000	2	109.0263	0.007	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:4:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(OC[5])(CCHH)(CHHO)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(OC[5])(CCHH)(CHHO)(H)	H(CCCH)	108.8440	3.784	2	108.8440	14.322	2	108.6022	4.852	4	108.7533	2.966	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:4:1:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	108.3605	0.006	2	108.3605	0.000	2	108.6022	4.852	4	108.7533	2.966	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:4:1:	4:	C-4:N-3:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(OC[6a])(CCCH)(CHHN)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(OC[6a])(CCCH)(CHHN)(H)	H(CCHN)	109.0555	0.015	2	109.0555	0.000	2	109.0555	0.000	2	108.7533	2.966	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:4:3:	4:	C-4:N-3:H-1:H-1:	S-2:C-4:C-4:C-3:	C-4:	C(CCCS)(NCH)(H)2	C(SC[6a])(CHHN)(CH3)(COO)	H(CCHN)	C(CCCS)(NCH)(H)2	C(SC[6a])(CHHN)(CH3)(COO)	H(CCHN)	108.6245	0.299	2	108.6245	0.089	2	108.6245	0.089	2	108.6245	0.089	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:4:4:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CCH)(H)2	C(OC[5])(CCHH)(CH3)2	H(CCCH)	C(CCCO)(CCH)(H)2	C(OC[5])(CCHH)(CH3)2	H(CCCH)	108.7280	0.013	2	108.7280	0.000	2	108.6320	0.014	4	108.6320	0.014	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	2:4:4:4:	4:	C-4:C-3:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CCN)(H)2	C(OIn[6])(CCHH)(CF3)2	H(CCCH)	C(CCCO)(CCN)(H)2	C(OIn[6])(CCHH)(CF3)2	H(CCCH)	108.5360	0.068	2	108.5360	0.005	2	108.6320	0.014	4	108.6320	0.014	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	C(C[6a]C[6a]2)(SC[6a])(CClCH)(H)	H(CClCC)	C(CC[6a]HS)(CC[6a]O)(Cl)(H)	C(C[6a]C[6a]2)(SC[6a])(CClCH)(H)	H(CClCC)	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:S-2:C-4:H-1:	C-4:	C(CC[5a]HS)(CC[5a]O)(H)2	C(C[5a]C[5a]S[5a])(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[5a]HS)(CC[5a]O)(H)2	C(C[5a]C[5a]S[5a])(SC[6a])(CCHH)(H)	H(CCCH)	111.3820	2.646	2	111.3820	7.001	2	110.2248	4.121	4	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:S-2:C-4:H-1:	C-4:	C(CC[5a]HS)(CNO)(H)2	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[5a]HS)(CNO)(H)2	C(C[5a]C[5a]O[5a])(SC[6a])(CCHH)(H)	H(CCCH)	109.0675	0.070	2	109.0675	0.005	2	110.2248	4.121	4	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-2:C-4:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	H(CCCH)	109.4835	0.011	2	109.4835	0.000	2	109.4835	0.000	2	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HS)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	109.2880	0.201	6	109.2880	0.040	6	109.1566	0.044	12	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HS)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	109.0847	0.055	3	109.0847	0.003	3	109.1566	0.044	12	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CNO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HS)(CNO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	109.0530	0.030	2	109.0530	0.001	2	109.1566	0.044	12	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(COS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HS)(COS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	108.7910	0.000	1	108.7910	0.000	1	109.1566	0.044	12	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	H(CCHN)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	H(CCHN)	109.5901	0.031	7	109.5901	0.001	7	109.4840	0.045	9	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	H(CCHN)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHHN)(H)	H(CCHN)	109.1125	0.026	2	109.1125	0.001	2	109.4840	0.045	9	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	H(CCHN)	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6])(CHHN)(H)	H(CCHN)	109.4255	0.005	2	109.4255	0.000	2	109.9989	2.456	7	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	H(CCHN)	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	H(CCHN)	109.7077	0.019	3	109.7077	0.000	3	109.9989	2.456	7	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(NSS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	H(CCHN)	C(CC[6a]HS)(NSS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(H)	H(CCHN)	111.0090	3.432	2	111.0090	11.781	2	109.9989	2.456	7	109.5632	0.973	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:O-2:C-4:C-3:	C-4:	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(COO)	H(CCCH)	108.7160	0.077	6	108.7160	0.006	6	108.7160	0.006	6	108.8616	0.077	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:2:4:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:S-2:C-4:C-3:	C-4:	C(CC[6a]CS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(COO)	H(CCHN)	C(CC[6a]CS)(NOO)(H)2	C(C[6a]C[6a]2)(SC[6a])(CHHN)(COO)	H(CCHN)	109.2985	0.021	2	109.2985	0.000	2	109.2985	0.000	2	108.8616	0.077	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:2:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:S-2:C-4:	C-4:	C(CC[6a]CS)(CCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(SC[6a])(CCHH)	H(CCCH)	C(CC[6a]CS)(CCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(SC[6a])(CCHH)	H(CCCH)	108.4005	0.011	2	108.4005	0.000	2	108.4005	0.000	2	108.4005	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:3:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(CCH)(H)2	C(C[6a]C[6a]2)3(CCHH)	H(CCCH)	C(CC[6a]3)(CCH)(H)2	C(C[6a]C[6a]2)3(CCHH)	H(CCCH)	107.4860	0.034	2	107.4860	0.001	2	107.9348	0.274	4	108.3797	0.640	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:3:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(COO)(H)2	C(C[6a]C[6a]2)3(CCHH)	H(CCCH)	C(CC[6a]3)(COO)(H)2	C(C[6a]C[6a]2)3(CCHH)	H(CCCH)	108.3835	0.121	2	108.3835	0.015	2	107.9348	0.274	4	108.3797	0.640	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:3:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C-4:	C(CC[6a]2C)(NCC)(H)2	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	H(CCHN)	C(CC[6a]2C)(NCC)(H)2	C(C[6a]C[6a]2)2(CC[6a]O)(CHHN)	H(CCHN)	109.2695	0.047	2	109.2695	0.002	2	109.2695	0.002	2	108.3797	0.640	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:B[6a]-3:H-1:H-1:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	H(CB[6a]CH)	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	H(CB[6a]CH)	107.9887	0.285	3	107.9887	0.081	3	107.9887	0.081	3	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	H(CBrCC)	C(CC[6a]N[5]H)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrCH)(H)	H(CBrCC)	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:F-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[6]O)(F)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CCFH)(H)	H(CCCF)	C(CC[6a]CH)(CN[6]O)(F)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CCFH)(H)	H(CCCF)	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CB[6a]B[5]H)(COO)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	H(CCCH)	C(CB[6a]B[5]H)(COO)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	H(CCCH)	109.1340	0.164	6	109.1340	0.027	6	109.1340	0.027	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[5]2H)(CNO)(H)2	C(C[5]N[5]2)2(CCHH)(H)	H(CCCH)	C(CC[5]2H)(CNO)(H)2	C(C[5]N[5]2)2(CCHH)(H)	H(CCCH)	108.0065	0.035	2	108.0065	0.001	2	108.4728	0.220	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[5]2H)(COO)(H)2	C(C[5]N[5]2)2(CCHH)(H)	H(CCCH)	C(CC[5]2H)(COO)(H)2	C(C[5]N[5]2)2(CCHH)(H)	H(CCCH)	108.7060	0.385	4	108.7060	0.148	4	108.4728	0.220	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.8795	0.033	2	108.8795	0.001	2	108.7188	0.040	5	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.6117	0.189	3	108.6117	0.036	3	108.7188	0.040	5	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-3:C-4:H-1:	C-4:	C(CC[5a]CH)(CCH)(H)2	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	H(CCCH)	C(CC[5a]CH)(CCH)(H)2	C(C[5a]C[5a]S[5a])(CC[6a]N)(CCHH)(H)	H(CCCH)	108.3045	0.029	2	108.3045	0.001	2	108.7688	0.180	5	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-3:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCHH)(H)	H(CCCH)	109.0783	0.033	3	109.0783	0.001	3	108.7688	0.180	5	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	H(CCCH)	C(CC[5a]2H)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	H(CCCH)	108.4477	0.151	4	108.4477	0.023	4	108.4477	0.023	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCN)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCN)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0528	0.760	4	109.0528	0.577	4	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0350	0.020	2	109.0350	0.000	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.0757	0.418	4	108.0757	0.175	4	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.4315	0.022	2	109.4315	0.000	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]C)(H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0570	0.058	2	109.0570	0.003	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]N)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.5325	0.011	2	108.5325	0.000	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.5680	0.010	2	108.5680	0.000	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.4595	0.021	2	108.4595	0.000	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CC[6a]O)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.5415	0.042	2	108.5415	0.002	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CHO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CHO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0060	0.000	1	109.0060	0.000	1	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CNO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CNO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.0135	2.518	2	108.0135	6.340	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.3080	0.116	2	109.3080	0.013	2	108.7190	0.548	27	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:	C(CC[5a]HN)(CCC)(H)2	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	H(CCCH)	C(CC[5a]HN)(CCC)(H)2	C(C[5a]C[5a]O[5a])(NC[5]H)(CCHH)(H)	H(CCCH)	108.7510	0.006	2	108.7510	0.000	2	109.0607	0.128	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:	C(CC[5a]HN)(CC[6a]N)(H)2	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[5a]HN)(CC[6a]N)(H)2	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	H(CCCH)	109.3705	0.016	2	109.3705	0.000	2	109.0607	0.128	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[5a]N[5]H)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	H(CCCH)	C(CC[5a]N[5]H)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(N[5]C[5]N[5])(CCHH)(H)	H(CCCH)	109.2365	0.046	2	109.2365	0.002	2	109.2365	0.002	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6]2H)(CC[6a]O)(H)2	C(C[6]C[6]2)2(CCHH)(H)	H(CCCH)	C(CC[6]2H)(CC[6a]O)(H)2	C(C[6]C[6]2)2(CCHH)(H)	H(CCCH)	108.5200	0.004	2	108.5200	0.000	2	108.5200	0.000	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CC[6a]B[5]H)(CN[5]O)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	H(CCCH)	C(CC[6a]B[5]H)(CN[5]O)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	H(CCCH)	109.3304	0.327	7	109.3304	0.107	7	109.3304	0.107	7	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CCI)(H)2	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCI)(H)2	C(C[6a]C[6a]N[6a])(CN[5]O)(CCHH)(H)	H(CCCH)	108.3195	0.021	2	108.3195	0.000	2	108.8353	3.551	8	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	H(CCCH)	108.8170	0.027	2	108.8170	0.001	2	108.8353	3.551	8	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	H(CCCH)	109.1022	2.831	4	109.1022	8.013	4	108.8353	3.551	8	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	H(CCCH)	109.2155	0.077	2	109.2155	0.006	2	109.1822	0.004	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[5]N[5]2)(CCHH)(H)	H(CCCH)	109.1490	0.020	2	109.1490	0.000	2	109.1822	0.004	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	109.3675	0.105	4	109.3675	0.011	4	108.9623	0.569	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	108.1520	0.918	2	108.1520	0.842	2	108.9623	0.569	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	109.0105	0.236	4	109.0105	0.056	4	109.1226	0.053	32	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CC[6]C)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CC[6]C)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	109.1925	0.029	2	109.1925	0.001	2	109.1226	0.053	32	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	108.9843	0.080	10	108.9843	0.006	10	109.1226	0.053	32	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CNO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CNO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	109.2325	0.277	14	109.2325	0.077	14	109.1226	0.053	32	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(COO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(COO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	109.1995	0.015	2	109.1995	0.000	2	109.1226	0.053	32	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCC)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCC)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	108.0020	0.407	2	108.0020	0.166	2	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	108.5120	0.914	4	108.5120	0.835	4	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCN)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCN)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	109.2795	0.019	2	109.2795	0.000	2	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	108.5755	0.259	4	108.5755	0.067	4	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	108.3955	0.176	4	108.3955	0.031	4	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	H(CCCH)	108.6042	0.478	4	108.6042	0.228	4	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	108.7561	0.668	12	108.7561	0.447	12	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	109.9370	1.504	4	109.9370	2.263	4	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(H)	H(CCCH)	109.2170	0.016	2	109.2170	0.000	2	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	109.4100	0.000	1	109.4100	0.000	1	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	H(CCCH)	107.7635	0.009	2	107.7635	0.000	2	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	109.3520	0.020	2	109.3520	0.000	2	108.7862	0.645	43	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	H(CCCH)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	H(CCCH)	109.4220	0.031	4	109.4220	0.001	4	109.2711	0.038	7	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(COO)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	H(CCCH)	C(CC[6a]N[5]H)(COO)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	H(CCCH)	109.0700	0.084	3	109.0700	0.007	3	109.2711	0.038	7	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	H(CCCH)	108.7560	0.037	2	108.7560	0.001	2	108.7560	0.001	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(CC[6a]O)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]N[5]H)(CC[6a]O)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.8842	0.193	33	108.8842	0.037	33	108.8842	0.037	33	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]N[5a]H)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.7867	0.025	4	108.7867	0.001	4	108.9620	0.075	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(COO)(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]N[5a]H)(COO)(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.3125	0.059	2	109.3125	0.003	2	108.9620	0.075	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	P-3:P-3:C-4:H-1:	C-4:	C(CHPP)(CNO)(H)2	C(PC[6a]2)2(CCHH)(H)	H(CCCH)	C(CHPP)(CNO)(H)2	C(PC[6a]2)2(CCHH)(H)	H(CCCH)	109.2365	0.009	2	109.2365	0.000	2	109.0473	0.107	3	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C-3:H-1:H-1:	P-3:P-3:C-4:H-1:	C-4:	C(CHPP)(COO)(H)2	C(PC[6a]2)2(CCHH)(H)	H(CCCH)	C(CHPP)(COO)(H)2	C(PC[6a]2)2(CCHH)(H)	H(CCCH)	108.6690	0.000	1	108.6690	0.000	1	109.0473	0.107	3	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C[6a]-3:F-1:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	H(CC[6a]CF)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	H(CC[6a]CF)	111.1435	0.499	2	111.1435	0.249	2	111.1435	0.249	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C[6a]-3:H-1:H-1:	B[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	H(CC[6a]CH)	109.8385	0.057	2	109.8385	0.003	2	109.8385	0.003	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	108.4695	0.035	2	108.4695	0.001	2	108.8155	0.160	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	109.1615	0.018	2	109.1615	0.000	2	108.8155	0.160	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(H)2	C(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]HH)(H)	H(CC[6a]CH)	109.3150	0.054	2	109.3150	0.003	2	109.3150	0.003	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.7055	0.012	2	109.7055	0.000	2	109.7055	0.000	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[5a]C[6a]H)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.2160	0.117	4	109.2160	0.014	4	109.3673	0.089	31	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[5a]C[6a]H)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.2900	0.010	2	109.2900	0.000	2	109.3673	0.089	31	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.4058	0.343	19	109.4058	0.117	19	109.3673	0.089	31	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.3102	0.265	5	109.3102	0.070	5	109.3673	0.089	31	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.6820	0.000	1	109.6820	0.000	1	109.3673	0.089	31	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CHHN)(H)	H(CCHN)	109.2095	0.035	2	109.2095	0.001	2	109.2095	0.001	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	H(CCHN)	C(CC[5a]C[6a]H)(NOO)(H)2	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CHHN)(H)	H(CCHN)	109.5960	0.610	4	109.5960	0.372	4	109.5960	0.372	4	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	H(CCHN)	110.6095	1.569	6	110.6095	2.461	6	110.6095	2.461	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	109.3152	0.356	5	109.3152	0.127	5	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NCO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NCO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	109.5655	0.128	4	109.5655	0.016	4	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NCS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NCS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	108.9737	0.029	4	108.9737	0.001	4	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.2485	0.005	2	109.2485	0.000	2	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.8860	0.000	1	109.8860	0.000	1	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NHS)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	109.1740	0.454	6	109.1740	0.206	6	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	116.6520	3.804	2	116.6520	14.472	2	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NOO)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	109.4278	0.111	4	109.4278	0.012	4	109.8277	4.356	28	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(NHS)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]N[5]H)(NHS)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.5850	0.696	2	109.5850	0.484	2	109.5850	0.484	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(NCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	C(CN[5]2H)(NCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	109.5640	0.226	4	109.5640	0.051	4	109.3198	0.174	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(NMnC)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	C(CN[5]2H)(NMnC)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	108.8315	0.047	2	108.8315	0.002	2	109.3198	0.174	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(OMnH)(H)2	C(N[5]C[5]N[5])2(CHHO)(H)	H(CCHO)	C(CN[5]2H)(OMnH)(H)2	C(N[5]C[5]N[5])2(CHHO)(H)	H(CCHO)	108.9277	0.386	6	108.9277	0.149	6	108.9277	0.149	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:P-3:C-4:H-1:	C-4:	C(CC[6a]HP)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	H(CCHP)	C(CC[6a]HP)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	H(CCHP)	110.0840	1.462	6	110.0840	2.137	6	110.0840	2.137	6	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:	C(CC[6a]HS)(SC[6a]Ru)(H)2	C(C[6a]C[6a]2)(SC[6a]Ru)(CHHS)(H)	H(CCHS)	C(CC[6a]HS)(SC[6a]Ru)(H)2	C(C[6a]C[6a]2)(SC[6a]Ru)(CHHS)(H)	H(CCHS)	108.7720	0.025	2	108.7720	0.001	2	108.7720	0.001	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(SCrC)(H)2	C(N[5]C[5]N[5])2(CHHS)(H)	H(CCHS)	C(CN[5]2H)(SCrC)(H)2	C(N[5]C[5]N[5])2(CHHS)(H)	H(CCHS)	108.6720	0.000	2	108.6720	0.000	2	108.6720	0.000	2	109.1288	0.930	324	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:C-3:F-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CC[6a]O)(F)(H)	C(C[6a]C[6a]2)2(CCFH)(OH)	H(CCCF)	C(CC[6a]2O)(CC[6a]O)(F)(H)	C(C[6a]C[6a]2)2(CCFH)(OH)	H(CCCF)	110.0210	0.000	1	110.0210	0.000	1	110.0210	0.000	1	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]2C)(CCO)(H)2	C(C[6a]C[6a]2)2(CCHH)(CC)	H(CCCH)	C(CC[6a]2C)(CCO)(H)2	C(C[6a]C[6a]2)2(CCHH)(CC)	H(CCCH)	108.1430	0.028	2	108.1430	0.001	2	108.1430	0.001	2	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCO)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CCO)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	108.5065	0.018	2	108.5065	0.000	2	108.5065	0.000	2	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]N[5]C)(CCH)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	H(CCCH)	C(CC[6a]N[5]C)(CCH)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	H(CCCH)	109.1785	0.036	2	109.1785	0.001	2	109.1785	0.001	2	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-3:C-4:O-2:	C-4:	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	H(CC[6a]CH)	C(CC[6a]C[6]O)(C[6a]C[6a]2)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	H(CC[6a]CH)	108.7553	0.032	4	108.7553	0.001	4	108.7553	0.001	4	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-3:C-4:O-2:	C-4:	C(CC[6a]CO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	H(CCHN)	C(CC[6a]CO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHN)(OH)	H(CCHN)	109.4525	0.083	2	109.4525	0.007	2	109.4525	0.007	2	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OGe)	H(CCHN)	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OGe)	H(CCHN)	109.4760	0.072	2	109.4760	0.005	2	109.1940	0.289	8	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	H(CCHN)	C(CC[6a]2O)(NCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	H(CCHN)	109.5387	0.294	3	109.5387	0.086	3	109.1940	0.289	8	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	H(CCHN)	C(CC[6a]2O)(NCH)(H)2	C(C[6a]C[6a]2)2(CHHN)(OH)	H(CCHN)	108.6613	0.488	3	108.6613	0.238	3	109.1940	0.289	8	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:2:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C-4:	C(CC[6a]2S)(SCuC)(H)2	C(C[6a]C[6a]2)2(CHHS)(SCu)	H(CCHS)	C(CC[6a]2S)(SCuC)(H)2	C(C[6a]C[6a]2)2(CHHS)(SCu)	H(CCHS)	109.5185	0.107	2	109.5185	0.011	2	109.5185	0.011	2	109.0518	0.297	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-3:	C-4:	C(CC[6]2O)(CCH)(H)2	C(C[6]C[6]N[6])2(CCHH)(OCu2)	H(CCCH)	C(CC[6]2O)(CCH)(H)2	C(C[6]C[6]N[6])2(CCHH)(OCu2)	H(CCCH)	108.8953	0.052	3	108.8953	0.003	3	108.8953	0.003	3	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C[6a]-3:C-4:O-3:	C-4:	C(CC[6a]C[6]O)(CCO)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	H(CCCH)	C(CC[6a]C[6]O)(CCO)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	H(CCCH)	108.4500	0.259	4	108.4500	0.067	4	108.4500	0.067	4	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:C-3:	C-4:	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[5]H)(CCHH)(COO)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[5]H)(CCHH)(COO)	H(CCCH)	109.1023	0.105	11	109.1023	0.011	11	109.1023	0.011	11	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CCC)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	H(CCCH)	C(CC[6a]2C)(CCC)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	H(CCCH)	106.9760	0.150	2	106.9760	0.022	2	108.0173	1.453	4	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCH)	H(CCCH)	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCH)	H(CCCH)	109.0585	0.019	2	109.0585	0.000	2	108.0173	1.453	4	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-3:	C-4:	C(CC[6a]2O)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OZn2)	H(CCCH)	C(CC[6a]2O)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OZn2)	H(CCCH)	109.1800	0.025	2	109.1800	0.001	2	109.1800	0.001	2	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[5a]C[6a]C)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	H(CCHN)	C(CC[5a]C[6a]C)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	H(CCHN)	108.8185	0.266	4	108.8185	0.071	4	109.1716	0.259	7	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	H(CCHN)	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(COO)	H(CCHN)	109.3020	0.000	1	109.3020	0.000	1	109.1716	0.259	7	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	H(CCHN)	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHHN)(COO)	H(CCHN)	109.8125	0.047	2	109.8125	0.002	2	109.1716	0.259	7	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:N-3:C-4:C-3:	C-4:	C(CC[6a]CN)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	H(CCHN)	C(CC[6a]CN)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHHN)(CCO)	H(CCHN)	108.6725	0.035	2	108.6725	0.001	2	108.6725	0.001	2	108.8662	0.355	33	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(COO)(H)2	C(C[5a]N[5a]2)2(CCHH)2	H(CCCH)	C(CC[5a]2C)(COO)(H)2	C(C[5a]N[5a]2)2(CCHH)2	H(CCCH)	108.4183	0.255	4	108.4183	0.065	4	108.4183	0.065	4	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[6]-3:N-3:C-4:C-4:	C-4:	C(CC[6]CN)(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	H(CCCH)	C(CC[6]CN)(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	H(CCCH)	109.1405	0.022	2	109.1405	0.000	2	109.1405	0.000	2	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:B[5]-3:C-4:C-4:	C-4:	C(CC[6a]B[5]C)(COO)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	H(CCCH)	C(CC[6a]B[5]C)(COO)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	H(CCCH)	109.0145	0.004	2	109.0145	0.000	2	109.0145	0.000	2	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-4:C-4:	C-4:	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	H(CCCH)	108.7470	0.023	2	108.7470	0.001	2	108.7470	0.001	2	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCHO)	H(CCCH)	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCHO)	H(CCCH)	108.2770	0.011	2	108.2770	0.000	2	108.4818	0.056	4	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CHHN)	H(CCCH)	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CHHN)	H(CCCH)	108.6865	0.016	2	108.6865	0.000	2	108.4818	0.056	4	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CN)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	H(CCCH)	108.7812	0.287	6	108.7812	0.082	6	108.8414	0.071	8	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-3:C-4:C-4:	C-4:	C(CC[6a]CN)(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CN)(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	H(CCCH)	109.0220	0.006	2	109.0220	0.000	2	108.8414	0.071	8	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	H(CCHN)	C(CC[5a]2C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	H(CCHN)	108.8804	0.321	5	108.8804	0.103	5	108.8804	0.103	5	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHN)	C(CC[5a]C[6a]C)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHN)	108.5940	0.049	2	108.5940	0.002	2	108.6479	0.056	18	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(NHS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCHN)	C(CC[5a]C[6a]C)(NHS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCHN)	108.4278	0.189	4	108.4278	0.036	4	108.6479	0.056	18	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	H(CCHN)	C(CC[5a]C[6a]C)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	H(CCHN)	108.7302	0.225	12	108.7302	0.050	12	108.6479	0.056	18	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:3:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(NTiH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CHHN)	H(CCHN)	C(CC[6a]2C)(NTiH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CHHN)	H(CCHN)	109.3390	0.017	2	109.3390	0.000	2	109.3390	0.000	2	108.7421	0.096	47	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:B-3:H-1:H-1:	B-3:C-4:H-1:H-1:	C-4:	C(CBHH)(BCN)(H)2	C(BC[6a]2)(CBHH)(H)2	H(CBCH)	C(CBHH)(BCN)(H)2	C(BC[6a]2)(CBHH)(H)2	H(CBCH)	110.0825	0.671	4	110.0825	0.450	4	110.0825	0.450	4	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[5a]-3:C-4:Br-1:H-1:	C-4:	C(CC[5a]BrH)(CC[6a]O)(Br)(H)	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	H(CBrCC)	C(CC[5a]BrH)(CC[6a]O)(Br)(H)	C(C[5a]C[5a]O[5a])(CBrCH)(Br)(H)	H(CBrCC)	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CCO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]BrH)(CCO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	110.1020	0.000	1	110.1020	0.000	1	110.2416	0.767	21	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CC[5a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]BrH)(CC[5a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	110.1113	0.571	3	110.1113	0.326	3	110.2416	0.767	21	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]BrH)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	110.4734	0.290	15	110.4734	0.084	15	110.2416	0.767	21	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CNO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]BrH)(CNO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	110.8040	0.000	1	110.8040	0.000	1	110.2416	0.767	21	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(COO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]BrH)(COO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	106.7320	0.000	1	106.7320	0.000	1	110.2416	0.767	21	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	C(CC[6a]HH)(CCO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	109.4780	0.000	1	109.4780	0.000	1	109.1105	0.270	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	C(CC[6a]HH)(CNO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	108.7430	0.000	1	108.7430	0.000	1	109.1105	0.270	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(Br)(H)	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	H(CBrCC)	C(CN[5a]HH)(CC[6a]O)(Br)(H)	C(N[5a]C[5a,6a]N[5a])(CBrCH)(H)2	H(CBrCC)	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Br-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CNO)(Br)(H)	C(N[6]C[6]2)(CBrCH)(H)2	H(CBrCC)	C(CN[6]HH)(CNO)(Br)(H)	C(N[6]C[6]2)(CBrCH)(H)2	H(CBrCC)	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CNO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Br)(H)	H(CClCC)	C(CC[6a]BrH)(CNO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Br)(H)	H(CClCC)	110.2090	0.353	3	110.2090	0.124	3	110.2090	0.124	3	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(CCO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	H(CClCC)	C(CC[6a]ClH)(CCO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	H(CClCC)	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(COO)(H)2	C(B[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CB[5]HH)(COO)(H)2	C(B[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	109.7070	0.222	2	109.7070	0.049	2	109.7070	0.049	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	109.0040	0.034	2	109.0040	0.001	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	108.8940	1.683	2	108.8940	2.832	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.4925	0.861	6	108.4925	0.741	6	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5,5,6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5,5,6]C)(CCHH)(H)2	H(CCCH)	108.5645	0.036	2	108.5645	0.001	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	108.5498	0.945	4	108.5498	0.893	4	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	109.0590	0.011	2	109.0590	0.000	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	108.4950	0.000	1	108.4950	0.000	1	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	109.1273	0.092	4	109.1273	0.009	4	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	109.1185	0.015	2	109.1185	0.000	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	109.2490	1.554	2	109.2490	2.416	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.5425	0.971	2	108.5425	0.943	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	107.7690	0.809	2	107.7690	0.654	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	107.7455	0.037	2	107.7455	0.001	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	108.9745	0.235	4	108.9745	0.055	4	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	108.9510	0.027	2	108.9510	0.001	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	109.2270	0.006	2	109.2270	0.000	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.6303	0.123	3	108.6303	0.015	3	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	109.1140	0.126	4	109.1140	0.016	4	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	108.9285	0.601	4	108.9285	0.362	4	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.7875	0.018	2	108.7875	0.000	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	108.2585	0.021	4	108.2585	0.000	4	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	109.3853	0.012	3	109.3853	0.000	3	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	109.1091	0.135	8	109.1091	0.018	8	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.8463	0.459	10	108.8463	0.211	10	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	109.0635	0.011	2	109.0635	0.000	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	108.9695	0.015	2	108.9695	0.000	2	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.8866	0.184	12	108.8866	0.034	12	108.8334	0.298	95	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.7368	0.780	4	108.7368	0.608	4	109.3185	1.995	18	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.0340	0.248	6	109.0340	0.062	6	109.3185	1.995	18	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	111.0335	2.306	4	111.0335	5.319	4	109.3185	1.995	18	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	108.6120	0.271	4	108.6120	0.074	4	109.3185	1.995	18	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.7720	0.051	2	109.7720	0.003	2	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.3975	0.035	2	108.3975	0.001	2	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.0425	0.054	2	109.0425	0.003	2	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.8380	0.006	2	108.8380	0.000	2	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	107.8457	0.464	3	107.8457	0.215	3	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	109.1350	0.000	1	109.1350	0.000	1	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCO)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	108.6575	0.011	2	108.6575	0.000	2	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCO)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCO)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.5203	0.218	4	108.5203	0.047	4	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CNO)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CNO)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	108.9530	0.007	2	108.9530	0.000	2	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	109.1523	0.449	32	109.1523	0.201	32	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.2429	0.608	9	109.2429	0.369	9	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.7897	0.347	10	108.7897	0.121	10	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.6730	1.219	8	109.6730	1.485	8	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(COO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	108.7485	0.005	2	108.7485	0.000	2	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(COO)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	109.2320	0.000	1	109.2320	0.000	1	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(H)2	C(C[5a]N[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(COO)(H)2	C(C[5a]N[5a]O[5a])(CCHH)(H)2	H(CCCH)	110.0577	1.853	24	110.0577	3.435	24	109.2786	1.253	106	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	109.5905	0.624	2	109.5905	0.390	2	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.9412	0.183	9	108.9412	0.034	9	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	108.8530	0.007	2	108.8530	0.000	2	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.9772	0.576	9	108.9772	0.332	9	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[6]H)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[6]H)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	114.3260	10.030	2	114.3260	100.593	2	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[6]O)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[6]O)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.6300	0.018	2	108.6300	0.000	2	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6,6a]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6,6a]N[6])(CCHH)(H)2	H(CCCH)	109.0605	0.023	2	109.0605	0.001	2	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CCCH)	109.2630	0.054	2	109.2630	0.003	2	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2425	0.377	4	109.2425	0.142	4	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	109.5725	0.009	2	109.5725	0.000	2	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CRuH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CRuH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	108.1573	0.081	4	108.1573	0.007	4	109.2364	4.199	40	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(Br)(H)	H(CCCH)	C(CC[6a]BrH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(Br)(H)	H(CCCH)	109.3755	0.039	2	109.3755	0.002	2	109.3755	0.002	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	H(CCCH)	C(CC[6a]ClH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(Cl)(H)	H(CCCH)	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.6593	1.797	7	108.6593	3.230	7	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1535	0.256	10	109.1535	0.066	10	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.3158	1.071	20	109.3158	1.147	20	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCO)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.7765	0.080	2	109.7765	0.006	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.6737	0.327	4	108.6737	0.107	4	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.8874	0.579	55	108.8874	0.336	55	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.3895	0.016	2	108.3895	0.000	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[4]Cl)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[4]Cl)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.2265	1.435	2	109.2265	2.058	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.8961	0.268	8	108.8961	0.072	8	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9370	0.334	10	108.9370	0.112	10	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.8699	0.848	10	108.8699	0.720	10	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	104.6352	9.608	2	104.6352	92.310	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6a]O)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.2780	0.000	1	109.2780	0.000	1	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.2107	1.084	26	109.2107	1.175	26	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.5630	0.028	2	108.5630	0.001	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CNO)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.5865	0.011	2	108.5865	0.000	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0118	0.842	36	109.0118	0.709	36	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CNO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	109.4550	0.047	2	109.4550	0.002	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.3315	0.184	6	109.3315	0.034	6	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6]O)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.3100	0.025	2	109.3100	0.001	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	H(CCCH)	109.5095	0.022	2	109.5095	0.000	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.8640	0.040	2	109.8640	0.002	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0933	1.166	95	109.0933	1.360	95	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(COO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	109.3805	0.015	2	109.3805	0.000	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CPdO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CPdO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0990	0.016	2	109.0990	0.000	2	109.0251	1.272	312	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	In-3:C-4:H-1:H-1:	C-4:	C(CInHH)(CCH)(H)2	C(InClC)(CCHH)(H)2	H(CCCH)	C(CInHH)(CCH)(H)2	C(InClC)(CCHH)(H)2	H(CCCH)	104.4540	3.555	2	104.4540	12.640	2	104.4540	12.640	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	110.5955	0.026	2	110.5955	0.001	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.7105	0.006	2	108.7105	0.000	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	108.6530	0.023	2	108.6530	0.001	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.9807	0.487	24	108.9807	0.238	24	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	108.4355	0.037	2	108.4355	0.001	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(NP[5]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(NP[5]C)(CCHH)(H)2	H(CCCH)	110.1398	5.277	4	110.1398	27.843	4	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCN)(H)2	C(NC[6a]N)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCN)(H)2	C(NC[6a]N)(CCHH)(H)2	H(CCCH)	109.4665	0.006	2	109.4665	0.000	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CCO)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCO)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	109.2355	0.008	2	109.2355	0.000	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.9825	0.471	8	108.9825	0.222	8	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	108.4622	1.098	4	108.4622	1.205	4	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	108.3889	2.636	8	108.3889	6.950	8	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	108.9210	0.030	2	108.9210	0.001	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.9740	0.018	2	108.9740	0.000	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	108.2865	0.018	2	108.2865	0.000	2	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.9489	0.392	18	108.9489	0.154	18	108.9590	1.957	84	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CCH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CCH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	108.8315	0.118	4	108.8315	0.014	4	108.8315	0.014	4	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CBrC)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CBrC)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	109.4115	0.026	2	109.4115	0.001	2	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCC)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCC)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.1400	0.015	4	109.1400	0.000	4	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2361	0.481	14	109.2361	0.231	14	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.8515	0.096	4	108.8515	0.009	4	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCO)(H)2	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCO)(H)2	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	H(CCCH)	108.3190	0.024	2	108.3190	0.001	2	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.8750	0.008	2	108.8750	0.000	2	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	110.7850	0.000	1	110.7850	0.000	1	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC[6]O)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CC[6]O)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	108.3610	0.340	8	108.3610	0.115	8	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC[6a]O)(H)2	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CC[6a]O)(H)2	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	H(CCCH)	108.7100	0.000	1	108.7100	0.000	1	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC[6a]O)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CC[6a]O)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.6601	1.209	15	108.6601	1.461	15	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC[6a]O)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CC[6a]O)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.0578	0.236	12	109.0578	0.056	12	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	112.0315	2.710	4	112.0315	7.343	4	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CNO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CNO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.3922	1.329	4	108.3922	1.765	4	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CNO)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CNO)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.5998	0.096	4	108.5998	0.009	4	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN[5]O)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN[5]O)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.8190	0.014	2	109.8190	0.000	2	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(COO)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(COO)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	108.7995	0.037	2	108.7995	0.001	2	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(COO)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(COO)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	108.7810	0.000	1	108.7810	0.000	1	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(COO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(COO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.9952	0.508	24	108.9952	0.258	24	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(COO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(COO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.0701	0.403	34	109.0701	0.163	34	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(COO)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(COO)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	109.2720	0.016	2	109.2720	0.000	2	109.0450	0.812	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.4885	0.066	2	109.4885	0.004	2	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.7540	0.383	2	109.7540	0.147	2	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]N)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CC[6a]N)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.0692	0.402	6	109.0692	0.161	6	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	109.0045	0.054	2	109.0045	0.003	2	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.7417	0.047	4	108.7417	0.002	4	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.0737	0.245	22	109.0737	0.060	22	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.1112	0.114	6	109.1112	0.013	6	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.2193	0.733	31	109.2193	0.537	31	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CC[6a]O)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.3353	0.043	4	109.3353	0.002	4	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	94.6311	0.028	2	94.6311	0.001	2	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	109.6635	0.008	2	109.6635	0.000	2	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.1285	0.056	2	109.1285	0.003	2	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.3130	0.379	3	109.3130	0.144	3	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CNO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.0458	0.302	9	109.0458	0.091	9	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	109.0705	0.323	12	109.0705	0.104	12	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	108.6700	0.275	4	108.6700	0.076	4	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.8356	0.466	17	108.8356	0.217	17	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.2117	0.236	8	109.2117	0.056	8	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(COO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.9688	0.083	4	108.9688	0.007	4	108.8930	3.139	142	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	110.7360	0.031	2	110.7360	0.001	2	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	109.6115	0.015	2	109.6115	0.000	2	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CC[5]O)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CC[5]O)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.5830	0.062	2	108.5830	0.004	2	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CC[6a]O)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CC[6a]O)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	108.3698	0.382	9	108.3698	0.146	9	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CC[6a]O)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CC[6a]O)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.4760	0.034	2	108.4760	0.001	2	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.6590	0.000	1	109.6590	0.000	1	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CNO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CNO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2349	0.367	21	109.2349	0.135	21	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CN[6]O)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CN[6]O)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.1290	0.028	4	109.1290	0.001	4	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(COO)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(COO)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	108.0498	0.050	4	108.0498	0.002	4	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(COO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(COO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.0177	0.393	22	109.0177	0.154	22	108.9976	0.348	69	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CC[5]O)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CC[5]O)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9950	0.000	1	108.9950	0.000	1	109.0354	0.231	57	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CNO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CNO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.2961	0.361	9	109.2961	0.130	9	109.0354	0.231	57	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CN[6]O)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CN[6]O)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	109.2770	0.014	2	109.2770	0.000	2	109.0354	0.231	57	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(COO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(COO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9735	0.500	45	108.9735	0.250	45	109.0354	0.231	57	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(CBC)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	C(CHHP)(CBC)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	109.1260	0.024	2	109.1260	0.001	2	109.1822	0.004	8	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(CCH)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	C(CHHP)(CCH)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	109.1817	0.077	4	109.1817	0.006	4	109.1822	0.004	8	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(CHP)(H)2	C(PC[6a]C[5])(CCHH)(H)2	H(CCCH)	C(CHHP)(CHP)(H)2	C(PC[6a]C[5])(CCHH)(H)2	H(CCCH)	109.2395	0.006	2	109.2395	0.000	2	109.1822	0.004	8	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(CNO)(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	C(CHHS)(CNO)(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	112.9155	2.788	2	112.9155	7.774	2	109.9057	7.032	6	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(CNO)(H)2	C(SCuNi)(CCHH)(H)2	H(CCCH)	C(CHHS)(CNO)(H)2	C(SCuNi)(CCHH)(H)2	H(CCCH)	108.4008	0.264	4	108.4008	0.070	4	109.9057	7.032	6	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:N-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(H)(N)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(H)(N)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.2400	0.277	2	108.2400	0.077	2	108.2400	0.077	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[5]H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[5]H)(CHHN)(H)2	H(CCHN)	108.7730	0.011	2	108.7730	0.000	2	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CN[6]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CN[6]O)(CHHN)(H)2	H(CCHN)	108.6570	0.070	4	108.6570	0.005	4	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[5]H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[5]H)(CHHN)(H)2	H(CCHN)	109.1295	0.043	2	109.1295	0.002	2	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[5a]C)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[5a]C)(CHHN)(H)2	H(CCHN)	108.5130	0.068	2	108.5130	0.005	2	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[5a]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[5a]O)(CHHN)(H)2	H(CCHN)	109.1942	0.317	8	109.1942	0.101	8	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	108.1330	0.052	4	108.1330	0.003	4	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CN[6]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CN[6]O)(CHHN)(H)2	H(CCHN)	108.5965	1.091	2	108.5965	1.190	2	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCO)(H)2	C(CC[5]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCO)(H)2	C(CC[5]O)(CHHN)(H)2	H(CCHN)	109.3475	0.028	2	109.3475	0.001	2	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[4]H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[4]H)(CHHN)(H)2	H(CCHN)	107.7865	0.105	4	107.7865	0.011	4	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[5]C)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[5]C)(CHHN)(H)2	H(CCHN)	109.2570	0.128	4	109.2570	0.016	4	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[5]Si)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[5]Si)(CHHN)(H)2	H(CCHN)	108.6660	0.058	2	108.6660	0.003	2	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[6a]C)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[6a]C)(CHHN)(H)2	H(CCHN)	108.9095	0.006	2	108.9095	0.000	2	108.7568	0.300	38	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	108.5595	0.040	2	108.5595	0.002	2	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.5715	0.050	2	108.5715	0.003	2	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	109.2050	0.013	2	109.2050	0.000	2	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	108.7410	0.068	2	108.7410	0.005	2	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.3192	0.338	6	109.3192	0.114	6	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCuC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCuC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	114.2610	11.892	4	114.2610	141.424	4	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCuC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCuC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	109.4879	0.420	12	109.4879	0.176	12	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NFeC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NFeC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.2062	1.775	50	109.2062	3.152	50	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NMnC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NMnC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.9690	0.028	2	109.9690	0.001	2	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NNiC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NNiC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.1100	0.059	4	109.1100	0.004	4	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NReC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NReC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.8535	0.042	2	109.8535	0.002	2	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NZnC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NZnC)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	109.6485	0.030	2	109.6485	0.001	2	109.4740	7.669	90	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CHHN)(H)2	H(CCHN)	108.9090	0.011	2	108.9090	0.000	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.0576	0.428	22	109.0576	0.183	22	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.3330	0.220	6	109.3330	0.049	6	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	108.9565	0.018	2	108.9565	0.000	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.2870	0.486	41	109.2870	0.236	41	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.0049	3.112	14	109.0049	9.682	14	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCH)(H)2	C(C[5a]N[5a]2)(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCH)(H)2	C(C[5a]N[5a]2)(CHHN)(H)2	H(CCHN)	109.2977	0.016	3	109.2977	0.000	3	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCS)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.1308	0.322	11	109.1308	0.104	11	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCV)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCV)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	97.0224	16.168	2	97.0224	261.409	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[5]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC[5]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	108.1580	0.055	3	108.1580	0.003	3	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[5a]S)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC[5a]S)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	107.0245	0.042	2	107.0245	0.002	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[6]H)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC[6]H)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CCHN)	109.5570	0.151	6	109.5570	0.023	6	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.4330	0.004	2	109.4330	0.000	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC[6a]C)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.0410	0.041	2	109.0410	0.002	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[6a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC[6a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.7840	0.013	2	109.7840	0.000	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCdC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCdC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.3190	0.058	2	109.3190	0.003	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCuC)(H)2	C(C[5a]N[5a]2)(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCuC)(H)2	C(C[5a]N[5a]2)(CHHN)(H)2	H(CCHN)	109.5250	0.013	2	109.5250	0.000	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NFeC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NFeC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	107.6850	1.225	2	107.6850	1.500	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NHH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NHH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	110.6340	0.659	2	110.6340	0.434	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NNiC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NNiC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	108.9680	0.008	2	108.9680	0.000	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NOO)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NOO)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.1183	0.060	3	109.1183	0.004	3	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NPdC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NPdC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.0450	0.044	2	109.0450	0.002	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NZnC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NZnC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.8280	0.511	2	109.8280	0.261	2	108.9778	5.294	137	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.9926	0.644	5	108.9926	0.414	5	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.0457	0.193	4	109.0457	0.037	4	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.1758	0.249	15	109.1758	0.062	15	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.6320	0.010	2	109.6320	0.000	2	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC[4]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NC[4]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.6430	0.000	1	109.6430	0.000	1	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC[5]Fe)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NC[5]Fe)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.3268	0.046	4	109.3268	0.002	4	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC[6]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NC[6]H)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.5915	0.160	4	108.5915	0.026	4	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCaC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCaC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	110.0840	0.122	4	110.0840	0.015	4	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCoC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCoC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.6077	0.396	23	109.6077	0.157	23	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCuC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCuC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.2611	0.170	7	109.2611	0.029	7	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCuN)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCuN)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	110.2790	0.023	2	110.2790	0.001	2	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NFeC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NFeC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.6844	0.202	19	109.6844	0.041	19	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NIrS)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NIrS)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.1598	0.133	4	109.1598	0.018	4	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NMgC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NMgC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.8525	0.286	6	109.8525	0.082	6	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NMnC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NMnC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.7945	0.574	6	109.7945	0.330	6	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NNiC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NNiC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.2002	0.204	12	109.2002	0.042	12	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NReC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NReC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.9830	0.000	1	108.9830	0.000	1	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NRhC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NRhC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.3158	0.589	4	108.3158	0.347	4	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NSrC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NSrC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.8383	0.020	3	109.8383	0.000	3	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NZnC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NZnC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.4870	0.075	3	109.4870	0.006	3	109.4202	0.234	129	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	H(CCHN)	C(CC[6a]ClH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(Cl)(H)	H(CCHN)	109.4195	0.030	2	109.4195	0.001	2	109.4195	0.001	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(F)(H)	H(CCHN)	C(CC[6a]FH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(F)(H)	H(CCHN)	109.5085	0.005	2	109.5085	0.000	2	109.5085	0.000	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NB[5]2)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NB[5]2)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.3605	0.028	2	109.3605	0.001	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CCHN)	108.3210	4.284	2	108.3210	18.350	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	H(CCHN)	108.8885	0.005	2	108.8885	0.000	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	H(CCHN)	108.8955	0.321	4	108.8955	0.103	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CCHN)	109.8245	2.737	2	109.8245	7.492	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.9730	0.503	61	108.9730	0.253	61	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	108.6358	0.726	10	108.6358	0.527	10	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CCHN)	109.2095	0.572	31	109.2095	0.327	31	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.1727	1.092	111	109.1727	1.192	111	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.2918	0.378	34	109.2918	0.143	34	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCO)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCO)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.6573	0.878	10	109.6573	0.772	10	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.8717	0.383	15	108.8717	0.147	15	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[3]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[3]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.2885	0.017	4	109.2885	0.000	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[4a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[4a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.3430	0.035	2	109.3430	0.001	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[5]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.4108	0.409	4	108.4108	0.167	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[5a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.3590	4.569	4	109.3590	20.875	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[5a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.5090	0.033	2	109.5090	0.001	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.6952	0.098	5	109.6952	0.010	5	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[6]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.3874	0.289	7	109.3874	0.083	7	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.4580	0.011	2	108.4580	0.000	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.3513	0.621	29	109.3513	0.386	29	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[6a]H)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	108.7133	0.024	4	108.7133	0.001	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6a]Pd)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC[6a]Pd)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.0037	0.625	4	109.0037	0.390	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCoC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCoC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.4463	0.052	4	109.4463	0.003	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCoC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCoC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	108.7570	0.023	2	108.7570	0.001	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCu2)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCu2)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	107.9750	0.017	2	107.9750	0.000	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCuC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.3623	0.056	8	109.3623	0.003	8	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCuC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.2905	0.467	10	109.2905	0.218	10	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CCHN)	109.3150	0.017	2	109.3150	0.000	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.5830	0.035	4	109.5830	0.001	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NHS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.2463	0.496	9	109.2463	0.246	9	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NIrC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NIrC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.4210	0.008	2	109.4210	0.000	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NMgC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NMgC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.0477	0.069	3	109.0477	0.005	3	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NMnC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NMnC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	110.3757	1.419	6	110.3757	2.013	6	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NNiC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.1847	0.077	4	109.1847	0.006	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NOsC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NOsC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.4960	0.025	2	109.4960	0.001	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPdC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.5240	0.074	2	109.5240	0.005	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPdH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.2720	0.073	4	109.2720	0.005	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPdS)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.0195	0.022	2	109.0195	0.000	2	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NRuN)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NRuN)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.0233	0.273	8	109.0233	0.074	8	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NZnC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NZnC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.5965	0.049	4	109.5965	0.002	4	109.1803	0.761	429	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:	C(CC[6a]HO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(H)(O)	H(CCHN)	C(CC[6a]HO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(H)(O)	H(CCHN)	109.2835	1.091	4	109.2835	1.190	4	109.2835	1.190	4	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[3]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[3]C)(CHHN)(H)2	H(CCHN)	109.1953	0.105	3	109.1953	0.011	3	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	109.1320	0.162	6	109.1320	0.026	6	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[5]Co)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[5]Co)(CHHN)(H)2	H(CCHN)	108.8770	0.000	1	108.8770	0.000	1	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[5]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[5]H)(CHHN)(H)2	H(CCHN)	109.4120	0.008	2	109.4120	0.000	2	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[5a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[5a]H)(CHHN)(H)2	H(CCHN)	109.1905	0.032	2	109.1905	0.001	2	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	109.4493	0.309	22	109.4493	0.096	22	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.1627	0.157	13	109.1627	0.025	13	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.0958	0.896	57	109.0958	0.802	57	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NC[6a]Zn)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NC[6a]Zn)(CHHN)(H)2	H(CCHN)	109.0507	0.092	4	109.0507	0.009	4	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NGeSi)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NGeSi)(CHHN)(H)2	H(CCHN)	109.7003	0.118	6	109.7003	0.014	6	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NSbSi)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NSbSi)(CHHN)(H)2	H(CCHN)	109.6110	0.204	2	109.6110	0.041	2	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NC[4a]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NC[4a]C)(CHHN)(H)2	H(CCHN)	109.6750	0.075	2	109.6750	0.006	2	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NC[5a]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NC[5a]C)(CHHN)(H)2	H(CCHN)	109.2790	0.027	2	109.2790	0.001	2	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NC[6]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NC[6]C)(CHHN)(H)2	H(CCHN)	108.9663	0.478	4	108.9663	0.228	4	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	109.4320	0.000	1	109.4320	0.000	1	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.2820	0.351	10	109.2820	0.123	10	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.4733	0.352	22	109.4733	0.124	22	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCS)(H)2	C(NC[6]S)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCS)(H)2	C(NC[6]S)(CHHN)(H)2	H(CCHN)	108.8830	0.069	4	108.8830	0.005	4	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.4822	0.199	5	109.4822	0.040	5	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NIrC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NIrC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.8135	0.016	2	109.8135	0.000	2	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NOsC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NOsC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.8313	0.014	3	109.8313	0.000	3	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NRuC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRuC)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.4733	0.019	3	109.4733	0.000	3	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NRuH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRuH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.1760	0.000	1	109.1760	0.000	1	109.2748	0.345	177	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NAlC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NAlC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8350	0.000	1	108.8350	0.000	1	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NAlC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NAlC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.0915	0.018	2	109.0915	0.000	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	109.6980	0.089	2	109.6980	0.008	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	109.6393	0.184	3	109.6393	0.034	3	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.9508	0.701	83	108.9508	0.491	83	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.8089	0.237	12	108.8089	0.056	12	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,5a]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,5a]C[5])(CHHN)(H)2	H(CCHN)	108.6340	0.041	3	108.6340	0.002	3	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	109.2987	0.192	9	109.2987	0.037	9	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	109.6783	0.023	3	109.6783	0.001	3	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.2958	0.420	59	109.2958	0.176	59	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.3255	0.043	2	109.3255	0.002	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	H(CCHN)	109.3105	0.165	6	109.3105	0.027	6	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[4,5])(CHHN)(H)2	H(CCHN)	108.9515	0.022	2	108.9515	0.000	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	H(CCHN)	108.9054	0.281	12	108.9054	0.079	12	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCS)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8360	0.194	4	108.8360	0.038	4	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.4250	0.035	2	109.4250	0.001	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[5]H)(H)2	C(N[5]C[5,5]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC[5]H)(H)2	C(N[5]C[5,5]C[5])(CHHN)(H)2	H(CCHN)	108.7740	0.000	1	108.7740	0.000	1	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[6]Ta)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC[6]Ta)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8735	0.053	2	108.8735	0.003	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[6a]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC[6a]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.0760	0.000	1	109.0760	0.000	1	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	109.8743	0.309	4	109.8743	0.095	4	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.6875	0.021	2	109.6875	0.000	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]P[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NC[6a]H)(H)2	C(N[5]C[5]P[5])(CHHN)(H)2	H(CCHN)	109.0535	0.033	2	109.0535	0.001	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCuC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCuC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.1565	0.091	4	109.1565	0.008	4	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NFeC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NFeC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.3130	0.000	1	109.3130	0.000	1	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	110.1440	0.025	2	110.1440	0.001	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.3668	0.581	6	108.3668	0.338	6	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NReC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NReC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	107.5540	2.024	2	107.5540	4.096	2	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NRuC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NRuC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.1797	0.659	4	109.1797	0.435	4	109.0904	0.356	236	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NAlC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NAlC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	108.8915	0.008	2	108.8915	0.000	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.7105	0.015	2	109.7105	0.000	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	H(CCHN)	109.1933	0.069	3	109.1933	0.005	3	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.1037	0.303	13	109.1037	0.092	13	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	H(CCHN)	109.4700	2.417	2	109.4700	5.841	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.7610	0.006	2	109.7610	0.000	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	H(CCHN)	109.3110	0.000	1	109.3110	0.000	1	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	H(CCHN)	109.0025	0.026	2	109.0025	0.001	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.2650	0.055	2	109.2650	0.003	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCH)(H)2	C(N[5a]N[5a]2)(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCH)(H)2	C(N[5a]N[5a]2)(CHHN)(H)2	H(CCHN)	109.3925	0.036	2	109.3925	0.001	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.2560	0.095	4	109.2560	0.009	4	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCS)(H)2	C(N[5a]C[5a]2)(CHHN)(H)2	H(CCHN)	109.0810	0.008	2	109.0810	0.000	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NC[6a]H)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NC[6a]H)(H)2	C(N[5a]C[5a,6a]2)(CHHN)(H)2	H(CCHN)	109.7755	0.012	2	109.7755	0.000	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCdC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCdC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	109.3680	0.058	4	109.3680	0.003	4	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCdC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCdC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	108.9200	0.031	2	108.9200	0.001	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCoC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCoC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	109.4060	0.075	2	109.4060	0.006	2	109.2571	0.211	47	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]B[6]C[6])(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]B[6]C[6])(CHHN)(H)2	H(CCHN)	108.7136	0.143	10	108.7136	0.020	10	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6,6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6,6]2)(CHHN)(H)2	H(CCHN)	109.4090	0.000	1	109.4090	0.000	1	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	108.8636	0.308	16	108.8636	0.095	16	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	H(CCHN)	109.8100	0.017	2	109.8100	0.000	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	109.2240	0.008	2	109.2240	0.000	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6,6a]C[6])(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6,6a]C[6])(CHHN)(H)2	H(CCHN)	108.7165	0.066	2	108.7165	0.004	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.4017	0.359	24	109.4017	0.129	24	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[5]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[5]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	110.3910	0.008	2	110.3910	0.000	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[6]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[6]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.9550	0.038	2	109.9550	0.001	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[6a]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[6a]C)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.1350	0.006	2	109.1350	0.000	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.9145	0.055	4	109.9145	0.003	4	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[6a]N)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[6a]N)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.3572	0.222	4	109.3572	0.049	4	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NFeC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NFeC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	110.1747	0.998	3	110.1747	0.997	3	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.7225	0.222	6	109.7225	0.049	6	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NHN)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NHN)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.4600	0.013	2	109.4600	0.000	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NHS)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NHS)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.4935	0.033	2	109.4935	0.001	2	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NMnC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NMnC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.3785	0.383	6	109.3785	0.147	6	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NNiC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NNiC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.4954	0.070	7	109.4954	0.005	7	109.3305	0.252	97	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.0820	0.144	14	109.0820	0.021	14	109.1452	0.051	23	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.0834	0.278	5	109.0834	0.077	5	109.1452	0.051	23	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(NHH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CN[6a]HH)(NHH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.2755	0.018	2	109.2755	0.000	2	109.1452	0.051	23	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(NHS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CN[6a]HH)(NHS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.6120	0.035	2	109.6120	0.001	2	109.1452	0.051	23	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:	C(CO[4]HH)(NCC)(H)2	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	H(CCHN)	C(CO[4]HH)(NCC)(H)2	C(O[4]Ga[3x4]Ga[4])(CHHN)(H)2	H(CCHN)	110.3158	1.823	6	110.3158	3.324	6	110.0112	2.156	10	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:	C(CO[4]HH)(NCC)(H)2	C(O[4]In[4]2)(CHHN)(H)2	H(CCHN)	C(CO[4]HH)(NCC)(H)2	C(O[4]In[4]2)(CHHN)(H)2	H(CCHN)	109.5140	1.175	2	109.5140	1.381	2	110.0112	2.156	10	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:	C(CO[4]HH)(NCH)(H)2	C(O[4]Ga[4]2)(CHHN)(H)2	H(CCHN)	C(CO[4]HH)(NCH)(H)2	C(O[4]Ga[4]2)(CHHN)(H)2	H(CCHN)	109.5945	0.060	2	109.5945	0.004	2	110.0112	2.156	10	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(NCH)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCH)(H)2	C(PC[6a]2)(CHHN)(H)2	H(CCHN)	109.3840	0.120	4	109.3840	0.014	4	109.3840	0.014	4	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(NIrC)(H)2	C(SC[6a]Ir)(CHHN)(H)2	H(CCHN)	C(CHHS)(NIrC)(H)2	C(SC[6a]Ir)(CHHN)(H)2	H(CCHN)	109.8388	0.146	4	109.8388	0.021	4	109.7776	0.104	16	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(NNiC)(H)2	C(SFeNi)(CHHN)(H)2	H(CCHN)	C(CHHS)(NNiC)(H)2	C(SFeNi)(CHHN)(H)2	H(CCHN)	109.8480	0.059	4	109.8480	0.003	4	109.7776	0.104	16	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(NPdC)(H)2	C(SC[6a]Pd)(CHHN)(H)2	H(CCHN)	C(CHHS)(NPdC)(H)2	C(SC[6a]Pd)(CHHN)(H)2	H(CCHN)	109.4962	0.243	6	109.4962	0.059	6	109.7776	0.104	16	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(NRuC)(H)2	C(SC[6a]Ru)(CHHN)(H)2	H(CCHN)	C(CHHS)(NRuC)(H)2	C(SC[6a]Ru)(CHHN)(H)2	H(CCHN)	110.3585	0.008	2	110.3585	0.000	2	109.7776	0.104	16	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	S[6]-3:C-4:H-1:H-1:	C-4:	C(CS[6]HH)(NCC)(H)2	C(S[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CS[6]HH)(NCC)(H)2	C(S[6]C[6]2)(CHHN)(H)2	H(CCHN)	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NIrC)(H)2	C(SeC[6a]Ir)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NIrC)(H)2	C(SeC[6a]Ir)(CHHN)(H)2	H(CCHN)	109.6925	0.114	4	109.6925	0.013	4	109.4528	0.065	9	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:N-3:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NPdC)(H)2	C(SeC[6a]Pd)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NPdC)(H)2	C(SeC[6a]Pd)(CHHN)(H)2	H(CCHN)	109.2610	0.129	5	109.2610	0.017	5	109.4528	0.065	9	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OCdH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OCdH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.4142	0.151	4	109.4142	0.023	4	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OCoH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OCoH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.7067	0.152	9	109.7067	0.023	9	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OCr2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OCr2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.2945	0.016	2	109.2945	0.000	2	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OCu2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OCu2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.7865	0.018	2	109.7865	0.000	2	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OCuH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OCuH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.8143	0.032	4	109.8143	0.001	4	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OFe2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OFe2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.2340	0.008	2	109.2340	0.000	2	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(OMnH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(OMnH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.6020	0.000	1	109.6020	0.000	1	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(ONi2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(ONi2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.1944	0.115	8	109.1944	0.013	8	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(ONiH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(ONiH)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.4975	0.178	16	109.4975	0.032	16	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(ORu2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(ORu2)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.3468	0.028	6	109.3468	0.001	6	109.4834	0.055	54	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(OCrC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	C(CC[6a]HH)(OCrC)(H)2	C(C[6a]C[6a]2)(CHHO)(H)2	H(CCHO)	109.5478	0.079	9	109.5478	0.006	9	109.5478	0.006	9	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OCdH)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCdH)(H)2	C(NC[6]C)(CHHO)(H)2	H(CCHO)	110.1610	0.034	2	110.1610	0.001	2	109.9295	0.139	10	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OMgC)(H)2	C(NC[6a]Mg)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMgC)(H)2	C(NC[6a]Mg)(CHHO)(H)2	H(CCHO)	109.5532	0.122	4	109.5532	0.015	4	109.9295	0.139	10	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(OSnC)(H)2	C(NC[6a]Sn)(CHHO)(H)2	H(CCHO)	C(CHHN)(OSnC)(H)2	C(NC[6a]Sn)(CHHO)(H)2	H(CCHO)	110.1900	0.296	4	110.1900	0.087	4	109.9295	0.139	10	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OCu2)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OCu2)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.4865	0.021	4	109.4865	0.000	4	109.5157	0.076	37	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OCuC)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OCuC)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.7380	0.025	2	109.7380	0.001	2	109.5157	0.076	37	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OIrC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OIrC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.5705	0.262	4	109.5705	0.068	4	109.5157	0.076	37	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(OMnNi)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(OMnNi)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.5509	0.250	8	109.5509	0.063	8	109.5157	0.076	37	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(ONiH)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(ONiH)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	109.9040	0.023	2	109.9040	0.001	2	109.5157	0.076	37	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(ORuC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(ORuC)(H)2	C(N[5]C[5,6a]C[5])(CHHO)(H)2	H(CCHO)	109.4510	0.000	1	109.4510	0.000	1	109.5157	0.076	37	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(ORuC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(ORuC)(H)2	C(N[5]C[5]2)(CHHO)(H)2	H(CCHO)	109.4194	0.319	16	109.4194	0.102	16	109.5157	0.076	37	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(OBe2)(H)2	C(OC[6a]Be)(CHHO)(H)2	H(CCHO)	C(CHHO)(OBe2)(H)2	C(OC[6a]Be)(CHHO)(H)2	H(CCHO)	110.4565	0.068	4	110.4565	0.005	4	110.3596	0.040	26	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(OMgC)(H)2	C(OMgSi)(CHHO)(H)2	H(CCHO)	C(CHHO)(OMgC)(H)2	C(OMgSi)(CHHO)(H)2	H(CCHO)	110.7165	0.027	4	110.7165	0.001	4	110.3596	0.040	26	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(OMnC)(H)2	C(OAlMn)(CHHO)(H)2	H(CCHO)	C(CHHO)(OMnC)(H)2	C(OAlMn)(CHHO)(H)2	H(CCHO)	110.1994	0.131	10	110.1994	0.017	10	110.3596	0.040	26	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(OSrC)(H)2	C(OSiSr)(CHHO)(H)2	H(CCHO)	C(CHHO)(OSrC)(H)2	C(OSiSr)(CHHO)(H)2	H(CCHO)	110.3843	0.060	3	110.3843	0.004	3	110.3596	0.040	26	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)(OZnC)(H)2	C(OSiZn)(CHHO)(H)2	H(CCHO)	C(CHHO)(OZnC)(H)2	C(OSiZn)(CHHO)(H)2	H(CCHO)	110.3020	0.057	5	110.3020	0.003	5	110.3596	0.040	26	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:O-3:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(OCaC)(H)2	C(SeCaC)(CHHO)(H)2	H(CCHO)	C(CSeHH)(OCaC)(H)2	C(SeCaC)(CHHO)(H)2	H(CCHO)	109.7185	0.089	4	109.7185	0.008	4	109.7185	0.008	4	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:P-3:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(PC[6a]2)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	H(CCHP)	C(CC[4]HH)(PC[6a]2)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	H(CCHP)	109.5870	0.027	3	109.5870	0.001	3	109.5870	0.001	3	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:P-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	H(CCHP)	109.6470	0.000	1	109.6470	0.000	1	109.3133	0.084	3	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:P-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5]2)(CHHP)(H)2	H(CCHP)	109.1465	0.011	2	109.1465	0.000	2	109.3133	0.084	3	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:P-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(PC[6a]2)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(CN[5]HH)(PC[6a]2)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	109.0430	0.482	4	109.0430	0.232	4	109.0430	0.232	4	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:P-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(PCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	H(CCHP)	C(CN[5a]HH)(PCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	H(CCHP)	108.7065	0.061	4	108.7065	0.004	4	108.7065	0.004	4	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:P-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(H)2	H(CCHP)	C(CN[6]HH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(H)2	H(CCHP)	109.6340	0.803	2	109.6340	0.645	2	109.6340	0.645	2	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SNiC)(H)2	C(C[5]N[5]2)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SNiC)(H)2	C(C[5]N[5]2)(CHHS)(H)2	H(CCHS)	110.0993	2.969	6	110.0993	8.813	6	109.1106	3.127	18	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SRuC)(H)2	C(C[5]N[5]2)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SRuC)(H)2	C(C[5]N[5]2)(CHHS)(H)2	H(CCHS)	108.5923	0.195	8	108.5923	0.038	8	109.1106	3.127	18	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SZnC)(H)2	C(C[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SZnC)(H)2	C(C[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.6642	0.060	4	108.6642	0.004	4	109.1106	3.127	18	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(SCuC)(H)2	C(C[5a]N[5a]2)(CHHS)(H)2	H(CCHS)	C(CC[5a]HH)(SCuC)(H)2	C(C[5a]N[5a]2)(CHHS)(H)2	H(CCHS)	109.2300	0.545	4	109.2300	0.297	4	108.9757	0.334	6	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(SPdC)(H)2	C(C[5a]C[5a]N[5a])(CHHS)(H)2	H(CCHS)	C(CC[5a]HH)(SPdC)(H)2	C(C[5a]C[5a]N[5a])(CHHS)(H)2	H(CCHS)	108.4670	0.025	2	108.4670	0.001	2	108.9757	0.334	6	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SCuC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SCuC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	108.8691	0.299	10	108.8691	0.089	10	109.1004	4.526	25	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SNiC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SNiC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	106.7182	2.978	4	106.7182	8.868	4	109.1004	4.526	25	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SReC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SReC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	113.2480	4.664	2	113.2480	21.754	2	109.1004	4.526	25	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SRuC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SRuC)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	109.4946	0.230	9	109.4946	0.053	9	109.1004	4.526	25	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SAu2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SAu2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.1545	0.057	2	109.1545	0.003	2	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SCC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SCC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.9420	0.018	2	109.9420	0.000	2	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SCO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SCO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.5233	0.026	8	109.5233	0.001	8	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SCuC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SCuC)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	108.7990	0.044	2	108.7990	0.002	2	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SIr2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SIr2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	108.8332	1.182	6	108.8332	1.396	6	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SNO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SNO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.2255	0.008	2	109.2255	0.000	2	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SNi2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SNi2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.4529	0.318	34	109.4529	0.101	34	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SPd2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SPd2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.7597	0.314	9	109.7597	0.098	9	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SRh2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SRh2)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.2018	0.127	4	109.2018	0.016	4	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SRuC)(H)2	C(C[6a]C[6a]N[6a])(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SRuC)(H)2	C(C[6a]C[6a]N[6a])(CHHS)(H)2	H(CCHS)	108.7305	0.026	2	108.7305	0.001	2	109.3934	0.243	71	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[5]Pt)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC[5]Pt)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	108.6160	0.000	1	108.6160	0.000	1	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[5]Ru)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SC[5]Ru)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	109.0145	0.021	2	109.0145	0.000	2	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SNi2)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SNi2)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	109.1813	0.082	3	109.1813	0.007	3	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SNiC)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SNiC)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.9290	0.000	1	108.9290	0.000	1	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SPd2)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SPd2)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.6580	0.121	7	108.6580	0.015	7	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SPdC)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SPdC)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	109.3735	0.747	8	109.3735	0.558	8	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SPdC)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SPdC)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.8546	0.281	7	108.8546	0.079	7	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SPdC)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SPdC)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	108.7246	0.215	8	108.7246	0.046	8	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SReC)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SReC)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	108.8380	0.010	2	108.8380	0.000	2	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SRu2)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SRu2)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	108.5052	0.393	4	108.5052	0.154	4	108.8881	0.207	43	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SAgC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SAgC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CCHS)	109.3605	0.560	4	109.3605	0.313	4	108.9827	0.338	8	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SC[6a]Pd)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SC[6a]Pd)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHS)(H)2	H(CCHS)	108.3410	0.055	2	108.3410	0.003	2	108.9827	0.338	8	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SRhC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SRhC)(H)2	C(N[5a]C[5a,6]C[5a])(CHHS)(H)2	H(CCHS)	108.8690	0.064	2	108.8690	0.004	2	108.9827	0.338	8	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SCu2)(H)2	C(SCuGa)(CHHS)(H)2	H(CCHS)	C(CHHS)(SCu2)(H)2	C(SCuGa)(CHHS)(H)2	H(CCHS)	109.0374	0.132	8	109.0374	0.017	8	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SCu2)(H)2	C(SCuIn)(CHHS)(H)2	H(CCHS)	C(CHHS)(SCu2)(H)2	C(SCuIn)(CHHS)(H)2	H(CCHS)	109.0788	0.056	6	109.0788	0.003	6	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SFeC)(H)2	C(SAgFe)(CHHS)(H)2	H(CCHS)	C(CHHS)(SFeC)(H)2	C(SAgFe)(CHHS)(H)2	H(CCHS)	108.9211	0.457	7	108.9211	0.208	7	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SFeC)(H)2	C(SCoFe)(CHHS)(H)2	H(CCHS)	C(CHHS)(SFeC)(H)2	C(SCoFe)(CHHS)(H)2	H(CCHS)	109.0692	0.128	8	109.0692	0.016	8	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SFeC)(H)2	C(SFePd)(CHHS)(H)2	H(CCHS)	C(CHHS)(SFeC)(H)2	C(SFePd)(CHHS)(H)2	H(CCHS)	108.7913	0.129	8	108.7913	0.017	8	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SFeC)(H)2	C(SFeRu)(CHHS)(H)2	H(CCHS)	C(CHHS)(SFeC)(H)2	C(SFeRu)(CHHS)(H)2	H(CCHS)	109.4048	0.612	4	109.4048	0.374	4	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SMnC)(H)2	C(SMnNi)(CHHS)(H)2	H(CCHS)	C(CHHS)(SMnC)(H)2	C(SMnNi)(CHHS)(H)2	H(CCHS)	109.1240	0.435	8	109.1240	0.189	8	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SNi2)(H)2	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	C(CHHS)(SNi2)(H)2	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	110.2960	0.041	2	110.2960	0.002	2	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SNiC)(H)2	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	C(CHHS)(SNiC)(H)2	C(SC[6a]Ni)(CHHS)(H)2	H(CCHS)	108.8297	0.030	3	108.8297	0.001	3	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SRuC)(H)2	C(SAuRu)(CHHS)(H)2	H(CCHS)	C(CHHS)(SRuC)(H)2	C(SAuRu)(CHHS)(H)2	H(CCHS)	109.0690	0.062	2	109.0690	0.004	2	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(SRuC)(H)2	C(SC[6a]Ru)(CHHS)(H)2	H(CCHS)	C(CHHS)(SRuC)(H)2	C(SC[6a]Ru)(CHHS)(H)2	H(CCHS)	109.8430	0.007	2	109.8430	0.000	2	109.0969	0.170	58	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:Se-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SePdC)(H)2	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CSeCH)	C(CN[5]HH)(SePdC)(H)2	C(N[5]C[5,6a]C[5])(CSeHH)(H)2	H(CSeCH)	108.7692	0.149	4	108.7692	0.022	4	108.6156	0.048	7	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:Se-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SePdC)(H)2	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CSeCH)	C(CN[5]HH)(SePdC)(H)2	C(N[5]C[5]N[5])(CSeHH)(H)2	H(CSeCH)	108.4107	0.039	3	108.4107	0.001	3	108.6156	0.048	7	109.1690	1.347	2969	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	H(CBrCC)	C(CC[6a]HN)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	H(CBrCC)	109.6150	0.000	1	109.6150	0.000	1	109.6150	0.000	1	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[5a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	H(CBrCC)	C(CC[6a]HO)(CC[5a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	H(CBrCC)	109.3680	0.000	1	109.3680	0.000	1	109.7824	0.501	8	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	H(CBrCC)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	H(CBrCC)	109.2953	0.617	3	109.2953	0.381	3	109.7824	0.501	8	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	H(CBrCC)	C(CC[6a]HO)(CC[6a]O)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	H(CBrCC)	110.2512	0.573	4	110.2512	0.328	4	109.7824	0.501	8	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CNO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	H(CClCC)	C(CC[6a]HO)(CNO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	H(CClCC)	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:	C(CCHN)(CCC)(H)2	C(CC[6a]O)(CCHH)(NS)(H)	H(CCCH)	C(CCHN)(CCC)(H)2	C(CC[6a]O)(CCHH)(NS)(H)	H(CCCH)	108.9535	0.019	2	108.9535	0.000	2	108.9535	0.000	2	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(CCC)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCC)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	H(CCCH)	109.0847	0.187	4	109.0847	0.035	4	108.8711	0.096	9	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CC[6]H)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CC[6]H)(CCHH)(OH)(H)	H(CCCH)	109.2170	0.000	1	109.2170	0.000	1	108.8711	0.096	9	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CC[6a]O)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CC[6a]O)(CCHH)(OC)(H)	H(CCCH)	108.5710	0.017	4	108.5710	0.000	4	108.8711	0.096	9	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(COO)(H)2	C(C[5]N[5]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(COO)(H)2	C(C[5]N[5]2)(CCHH)(OH)(H)	H(CCCH)	108.3280	0.017	2	108.3280	0.000	2	108.3280	0.000	2	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCH)(H)2	C(C[5a]C[5a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[5a]HO)(CCH)(H)2	C(C[5a]C[5a]2)(CCHH)(OC)(H)	H(CCCH)	108.6410	0.000	1	108.6410	0.000	1	108.8790	0.043	3	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CNO)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	H(CCCH)	C(CC[5a]HO)(CNO)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	H(CCCH)	108.9980	0.013	2	108.9980	0.000	2	108.8790	0.043	3	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CC[6a]O)(H)2	C(C[6]C[6]2)(CCHH)(OSi)(H)	H(CCCH)	C(CC[6]HO)(CC[6a]O)(H)2	C(C[6]C[6]2)(CCHH)(OSi)(H)	H(CCCH)	108.8805	0.033	2	108.8805	0.001	2	108.8805	0.001	2	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	108.0125	0.962	2	108.0125	0.926	2	108.8907	0.519	20	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	108.6900	0.016	2	108.6900	0.000	2	108.8907	0.519	20	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	108.9167	0.196	10	108.9167	0.039	10	108.8907	0.519	20	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CNS)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	C(CC[6a]CH)(CNS)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	108.9453	0.098	4	108.9453	0.010	4	108.8907	0.519	20	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]CH)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	109.7300	2.346	2	109.7300	5.505	2	108.8907	0.519	20	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NN)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NN)(H)	H(CCCH)	112.1995	0.289	2	112.1995	0.084	2	112.1995	0.084	2	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.8845	0.037	4	108.8845	0.001	4	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CCH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	H(CCCH)	108.9540	0.045	2	108.9540	0.002	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	108.8637	1.313	20	108.8637	1.724	20	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	109.0010	0.326	10	109.0010	0.106	10	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	109.1355	0.086	2	109.1355	0.007	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.7860	0.391	18	108.7860	0.153	18	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[5]C)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HO)(CC[5]C)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	108.8780	0.071	2	108.8780	0.005	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CC[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.2640	0.028	2	108.2640	0.001	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	109.2520	0.000	1	109.2520	0.000	1	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.6130	0.089	2	108.6130	0.008	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)(OO)(H)	H(CCCH)	C(CC[6a]HO)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)(OO)(H)	H(CCCH)	108.3905	0.023	2	108.3905	0.001	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.9445	0.393	14	108.9445	0.154	14	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HO)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	108.5480	0.420	2	108.5480	0.176	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	109.0585	0.178	6	109.0585	0.032	6	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(COO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(OH)(H)	H(CCCH)	108.5070	0.018	2	108.5070	0.000	2	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	109.6890	0.507	4	109.6890	0.257	4	108.8939	0.487	93	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	C(CC[6a]HS)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	108.9960	0.000	1	108.9960	0.000	1	109.1080	0.010	3	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	C(CC[6a]HS)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	109.1640	0.014	2	109.1640	0.000	2	109.1080	0.010	3	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:O-2:H-1:	C-4:	C(CN[5a]HO)(CNO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CN[5a]HO)(CNO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(OC)(H)	H(CCCH)	109.5970	0.187	4	109.5970	0.035	4	109.5970	0.035	4	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	H(CCCI)	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	H(CCCI)	110.1463	0.680	7	110.1463	0.463	7	110.1538	0.397	8	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	H(CCCI)	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	H(CCCI)	110.2060	0.000	1	110.2060	0.000	1	110.1538	0.397	8	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:O-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	H(CCCO)	C(CC[6a]HN)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	H(CCCO)	111.1090	0.000	1	111.1090	0.000	1	105.8797	20.894	3	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:O-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	H(CCCO)	C(CC[6a]HN)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	H(CCCO)	103.2650	0.877	2	103.2650	0.769	2	105.8797	20.894	3	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	H(CCHN)	C(CC[5a]HO)(NCH)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(OH)(H)	H(CCHN)	108.3012	0.067	4	108.3012	0.005	4	108.7333	0.505	6	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	H(CCHN)	C(CC[5a]HO)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(OH)(H)	H(CCHN)	109.5975	0.518	2	109.5975	0.269	2	108.7333	0.505	6	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:S-2:H-1:	C-4:	C(CC[5a]HS)(NCH)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	H(CCHN)	C(CC[5a]HS)(NCH)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(SC)(H)	H(CCHN)	108.2675	0.025	2	108.2675	0.001	2	108.2675	0.001	2	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	H(CCHN)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	H(CCHN)	109.0090	0.010	2	109.0090	0.000	2	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	108.9600	0.033	2	108.9600	0.001	2	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	H(CCHN)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OGe)(H)	H(CCHN)	111.2395	7.557	2	111.2395	57.106	2	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	C(CC[6a]HO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	108.7047	0.386	6	108.7047	0.149	6	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	C(CC[6a]HO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	109.2347	0.523	15	109.2347	0.274	15	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	C(CC[6a]HO)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	108.2010	0.052	2	108.2010	0.003	2	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	C(CC[6a]HO)(NC[6a]H)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	108.5745	1.454	4	108.5745	2.114	4	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NC[6a]S)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	C(CC[6a]HO)(NC[6a]S)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	109.0932	0.420	4	109.0932	0.177	4	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	H(CCHN)	C(CC[6a]HO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	H(CCHN)	109.7100	0.017	2	109.7100	0.000	2	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	C(CC[6a]HO)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	109.5025	0.254	4	109.5025	0.065	4	109.1551	1.980	43	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(SC)(H)	H(CCHN)	C(CC[6a]HS)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(SC)(H)	H(CCHN)	109.8820	0.025	2	109.8820	0.001	2	109.8820	0.001	2	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:1:	4:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHS)(OC)(H)	H(CCHS)	C(CC[6a]HO)(SC[6a]O)(H)2	C(C[6a]C[6a]2)(CHHS)(OC)(H)	H(CCHS)	108.3235	0.054	2	108.3235	0.003	2	108.3235	0.003	2	109.0269	1.233	216	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:2:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-2:C-2:	C-4:	C(CC3)(CCH)(H)2	C(CC[6a]C)(CCHH)(CN)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[6a]C)(CCHH)(CN)2	H(CCCH)	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	109.0173	0.237	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:2:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:	C(CC[6a]OO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)2	H(CCHN)	C(CC[6a]OO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)2	H(CCHN)	109.2320	0.445	2	109.2320	0.198	2	109.2320	0.198	2	109.0173	0.237	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	H(CClCC)	C(CC[6a]HN)(CCH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	H(CClCC)	108.5440	0.000	1	108.5440	0.000	1	108.9672	0.370	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	H(CClCC)	C(CC[6a]HN)(CC[6a]O)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(NHS)(H)	H(CClCC)	110.0140	0.000	1	110.0140	0.000	1	108.9672	0.370	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	H(CClCC)	C(CC[6a]HN)(CN[5]O)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(NCH)(H)	H(CClCC)	108.8113	0.399	4	108.8113	0.159	4	108.9672	0.370	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:F-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCH)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	H(CCCF)	C(CC[6a]HN)(CCH)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NCH)(H)	H(CCCF)	108.2970	0.000	1	108.2970	0.000	1	109.5307	0.979	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:F-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	H(CCCF)	C(CC[6a]HN)(CCO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	H(CCCF)	110.4117	0.123	3	110.4117	0.015	3	109.5307	0.979	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:F-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	H(CCCF)	C(CC[6a]HN)(COO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NHS)(H)	H(CCCF)	108.8260	0.151	2	108.8260	0.023	2	109.5307	0.979	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	B[5]-3:C-4:C-3:H-1:	C-4:	C(CB[5]CH)(CNO)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	H(CCCH)	C(CB[5]CH)(CNO)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	H(CCCH)	109.4800	0.360	4	109.4800	0.130	4	109.4800	0.130	4	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CC[6a]O)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CC[6a]O)(CCHH)(CCC)(H)	H(CCCH)	109.5695	0.078	2	109.5695	0.006	2	109.5695	0.006	2	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CCC)(H)2	C(CC[6a]O)(CCHH)(NHS)(H)	H(CCCH)	C(CCHN)(CCC)(H)2	C(CC[6a]O)(CCHH)(NHS)(H)	H(CCCH)	109.1435	0.023	2	109.1435	0.001	2	109.1435	0.001	2	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CCC)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CCH)(H)	H(CCCH)	C(CC[5a]CH)(CCC)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CCH)(H)	H(CCCH)	108.0935	0.038	4	108.0935	0.001	4	108.0935	0.001	4	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	H(CCCH)	C(CC[5a]HN)(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(NCO)(H)	H(CCCH)	109.1335	0.176	4	109.1335	0.031	4	109.4345	3.342	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	H(CCCH)	C(CC[5a]HN)(COO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(NCC)(H)	H(CCCH)	110.0365	3.941	2	110.0365	15.529	2	109.4345	3.342	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(COO)(H)2	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	H(CCCH)	C(CC[6]HN)(COO)(H)2	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	H(CCCH)	110.3255	0.269	2	110.3255	0.073	2	110.3255	0.073	2	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:O-3:H-1:	C-4:	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	H(CCCH)	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	H(CCCH)	109.4045	0.449	4	109.4045	0.201	4	108.7847	0.312	22	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:O-3:H-1:	C-4:	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	H(CCCH)	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	H(CCCH)	108.3835	0.033	2	108.3835	0.001	2	108.7847	0.312	22	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:O-3:H-1:	C-4:	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	H(CCCH)	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	H(CCCH)	108.5335	0.043	2	108.5335	0.002	2	108.7847	0.312	22	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:O-3:H-1:	C-4:	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	H(CCCH)	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	H(CCCH)	109.3005	0.437	4	109.3005	0.191	4	108.7847	0.312	22	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:O-3:H-1:	C-4:	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	H(CCCH)	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	H(CCCH)	108.0085	0.023	2	108.0085	0.001	2	108.7847	0.312	22	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:O-3:H-1:	C-4:	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	H(CCCH)	C(CC[6]HO)(CCO)(H)2	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	H(CCCH)	108.5740	0.330	8	108.5740	0.109	8	108.7847	0.312	22	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	109.4665	0.056	2	109.4665	0.003	2	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	108.7382	0.687	4	108.7382	0.472	4	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCN)(H)2	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	H(CCCH)	C(CC[6a]CH)(CCN)(H)2	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	H(CCCH)	108.6095	0.009	2	108.6095	0.000	2	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	108.9820	0.000	1	108.9820	0.000	1	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	H(CCCH)	108.7605	0.022	2	108.7605	0.000	2	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	108.9110	0.045	2	108.9110	0.002	2	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	109.0750	0.000	1	109.0750	0.000	1	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	108.7405	0.163	8	108.7405	0.027	8	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	109.6395	0.035	2	109.6395	0.001	2	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	108.7390	0.000	1	108.7390	0.000	1	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	109.1085	1.322	2	109.1085	1.747	2	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	109.2167	0.148	3	109.2167	0.022	3	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	109.6490	0.071	4	109.6490	0.005	4	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	H(CCCH)	108.9750	0.000	1	108.9750	0.000	1	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	109.0860	0.289	31	109.0860	0.084	31	109.0538	0.160	66	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	H(CCCH)	C(CC[6a]HN)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(NCO)(H)	H(CCCH)	108.8785	0.763	4	108.8785	0.582	4	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCF)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CCF)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	108.9070	0.024	2	108.9070	0.001	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.4557	0.616	4	108.4557	0.380	4	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	108.9517	0.149	3	108.9517	0.022	3	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	C(CC[6a]HN)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	110.6715	2.538	2	110.6715	6.440	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	109.2835	0.594	4	109.2835	0.353	4	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCS)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CCS)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	109.2265	0.013	2	109.2265	0.000	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCS)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CCS)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(NCH)(H)	H(CCCH)	109.0300	0.000	1	109.0300	0.000	1	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[4]H)(H)2	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	H(CCCH)	C(CC[6a]HN)(CC[4]H)(H)2	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	H(CCCH)	108.5870	0.000	1	108.5870	0.000	1	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[5]N)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CC[5]N)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	109.4240	3.288	2	109.4240	10.811	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	109.0155	1.661	2	109.0155	2.759	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NHN)(H)	H(CCCH)	108.5880	0.040	2	108.5880	0.002	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	108.3103	0.120	6	108.3103	0.014	6	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	111.3985	2.516	4	111.3985	6.330	4	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.5194	0.573	16	108.5194	0.329	16	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	H(CCCH)	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	H(CCCH)	108.1600	0.000	1	108.1600	0.000	1	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	109.3125	0.030	2	109.3125	0.001	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.8423	0.203	3	108.8423	0.041	3	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	109.3365	1.382	6	109.3365	1.910	6	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	109.1730	0.340	5	109.1730	0.116	5	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	H(CCCH)	108.9485	0.114	4	108.9485	0.013	4	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCuC)(H)	H(CCCH)	108.7680	0.016	2	108.7680	0.000	2	109.0116	1.270	78	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	Ga-3:C-4:C-3:H-1:	C-4:	C(CGaCH)(CCH)(H)2	C(GaC[6a]Ga)(CCHH)(CCH)(H)	H(CCCH)	C(CGaCH)(CCH)(H)2	C(GaC[6a]Ga)(CCHH)(CCH)(H)	H(CCCH)	105.5450	5.745	2	105.5450	33.000	2	105.5450	33.000	2	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CC[6a]O)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	H(CCCH)	C(CN[5]CH)(CC[6a]O)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(COO)(H)	H(CCCH)	109.7835	0.006	2	109.7835	0.000	2	108.7653	0.411	15	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CC[6a]O)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[5]CH)(CC[6a]O)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	107.9470	0.052	2	107.9470	0.003	2	108.7653	0.411	15	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(COO)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	C(CN[5]CH)(COO)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	109.0135	0.011	2	109.0135	0.000	2	108.7653	0.411	15	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(COO)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[5]CH)(COO)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	108.6657	0.515	9	108.6657	0.265	9	108.7653	0.411	15	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[5]-3:C-4:N-3:H-1:	C-4:	C(CN[5]HN)(CCC)(H)2	C(N[5]C[5]2)(CCHH)(NCH)(H)	H(CCCH)	C(CN[5]HN)(CCC)(H)2	C(N[5]C[5]2)(CCHH)(NCH)(H)	H(CCCH)	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(CCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	H(CCCH)	C(CN[5a]CH)(CCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	H(CCCH)	108.2168	0.071	4	108.2168	0.005	4	108.4805	0.170	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(COO)(H)2	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	H(CCCH)	C(CN[5a]CH)(COO)(H)2	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	H(CCCH)	109.0080	0.042	2	109.0080	0.002	2	108.4805	0.170	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(CCH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[6]CH)(CCH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	109.7200	0.000	1	109.7200	0.000	1	108.8545	0.328	42	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(CNO)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[6]CH)(CNO)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	108.8484	0.550	30	108.8484	0.303	30	108.8545	0.328	42	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	108.7925	0.623	11	108.7925	0.388	11	108.8545	0.328	42	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:I-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	H(CCCI)	C(CC[6a]CH)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	H(CCCI)	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	H(CCHN)	109.0429	0.570	52	109.0429	0.325	52	109.0429	0.325	52	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	H(CCHN)	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(COO)(H)	H(CCHN)	109.3985	0.076	2	109.3985	0.006	2	111.1108	3.773	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	H(CCHN)	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	H(CCHN)	111.9670	1.831	4	111.9670	3.354	4	111.1108	3.773	6	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	H(CCHN)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	H(CCHN)	109.7485	0.005	2	109.7485	0.000	2	109.2682	0.207	14	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	H(CCHN)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	H(CCHN)	109.0435	0.005	2	109.0435	0.000	2	109.2682	0.207	14	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NHN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	H(CCHN)	C(CC[6a]CH)(NHN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	H(CCHN)	109.9250	0.086	2	109.9250	0.007	2	109.2682	0.207	14	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	H(CCHN)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHN)(CCH)(H)	H(CCHN)	109.0125	0.013	2	109.0125	0.000	2	109.2682	0.207	14	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CCH)(H)	H(CCHN)	109.1058	0.518	4	109.1058	0.269	4	109.2682	0.207	14	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(H)	H(CCHN)	108.9365	0.046	2	108.9365	0.002	2	109.2682	0.207	14	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	H(CCHN)	C(CC[6a]HN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	H(CCHN)	108.3445	0.032	2	108.3445	0.001	2	109.3307	1.161	12	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	H(CCHN)	C(CC[6a]HN)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	H(CCHN)	109.0140	0.037	2	109.0140	0.001	2	109.3307	1.161	12	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	H(CCHN)	C(CC[6a]HN)(NC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(NCO)(H)	H(CCHN)	109.0815	0.019	2	109.0815	0.000	2	109.3307	1.161	12	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	H(CCHN)	C(CC[6a]HN)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(NNS)(H)	H(CCHN)	109.5365	0.052	2	109.5365	0.003	2	109.3307	1.161	12	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	H(CCHN)	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHN)(H)	H(CCHN)	108.5940	0.031	2	108.5940	0.001	2	109.3307	1.161	12	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	H(CCHN)	C(CC[6a]HN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	H(CCHN)	111.4135	0.804	2	111.4135	0.646	2	109.3307	1.161	12	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(NC[6]H)(CHHN)(COO)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(NC[6]H)(CHHN)(COO)(H)	H(CCHN)	108.9100	0.033	2	108.9100	0.001	2	108.9100	0.001	2	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:N-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(CNO)(H)	H(CCHN)	C(CN[5]CH)(NCH)(H)2	C(N[5]C[5]2)(CHHN)(CNO)(H)	H(CCHN)	110.1540	0.004	2	110.1540	0.000	2	110.1540	0.000	2	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OCo2)(H)2	C(C[6a]C[6a]2)(CHHO)(NCoC)(H)	H(CCHO)	C(CC[6a]HN)(OCo2)(H)2	C(C[6a]C[6a]2)(CHHO)(NCoC)(H)	H(CCHO)	109.7734	0.212	38	109.7734	0.045	38	109.8395	0.031	92	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(OFe2)(H)2	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	H(CCHO)	C(CC[6a]HN)(OFe2)(H)2	C(C[6a]C[6a]2)(CHHO)(NFeC)(H)	H(CCHO)	109.8859	0.130	54	109.8859	0.017	54	109.8395	0.031	92	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:P-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	H(CCHP)	C(CC[6a]HN)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	H(CCHP)	107.8530	0.038	2	107.8530	0.001	2	107.8530	0.001	2	109.1980	0.823	447	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	H(CCCH)	C(CC[6a]CO)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	H(CCCH)	108.8050	0.023	2	108.8050	0.001	2	108.8712	0.021	11	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OC)	H(CCCH)	109.2140	0.000	1	109.2140	0.000	1	108.8712	0.021	11	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	H(CCCH)	108.7933	0.055	4	108.7933	0.003	4	108.8712	0.021	11	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	H(CCCH)	C(CC[6a]CO)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(OH)	H(CCCH)	108.8010	0.068	2	108.8010	0.005	2	108.8712	0.021	11	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	H(CCCH)	C(CC[6a]CO)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(OH)	H(CCCH)	108.9920	0.048	2	108.9920	0.002	2	108.8712	0.021	11	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:S-2:	C-4:	C(CC[6a]CS)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(SH)	H(CCCH)	C(CC[6a]CS)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(SH)	H(CCCH)	108.9665	0.053	2	108.9665	0.003	2	108.9665	0.003	2	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	H(CCHN)	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OC)	H(CCHN)	108.5000	0.038	4	108.5000	0.001	4	108.7152	0.157	8	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	H(CCHN)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	H(CCHN)	108.5045	0.008	2	108.5045	0.000	2	108.7152	0.157	8	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	H(CCHN)	C(CC[6a]CO)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	H(CCHN)	109.3565	0.011	2	109.3565	0.000	2	108.7152	0.157	8	108.8209	0.073	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(CHN)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(CHN)	H(CCCH)	107.8560	0.013	2	107.8560	0.000	2	108.8768	0.453	8	108.9731	0.385	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHN)(COO)	H(CCCH)	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHN)(COO)	H(CCCH)	108.9195	0.022	2	108.9195	0.000	2	108.8768	0.453	8	108.9731	0.385	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHO)(COO)	H(CCCH)	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHO)(COO)	H(CCCH)	109.3658	0.203	4	109.3658	0.041	4	108.8768	0.453	8	108.9731	0.385	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(CC[6a]CN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NCC)	H(CCCH)	C(CC[6a]CN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NCC)	H(CCCH)	108.9810	0.839	2	108.9810	0.703	2	108.9810	0.703	2	108.9731	0.385	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	H(CCHN)	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(NCC)	H(CCHN)	109.3505	0.012	2	109.3505	0.000	2	109.3505	0.000	2	108.9731	0.385	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:C-4:	C-4:	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5a]O)(CCHH)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5a]O)(CCHH)	H(CCCH)	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	107.4020	2.042	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:3:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-3:C-4:	C-4:	C(CC[6a]CO)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(ONi2)(CH3)	H(CCCH)	C(CC[6a]CO)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(ONi2)(CH3)	H(CCCH)	106.5770	0.018	2	106.5770	0.000	2	106.5770	0.000	2	107.4020	2.042	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	H(CClCC)	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	H(CClCC)	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(CCH)(H)2	C(B[5]O[5]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CB[5]CH)(CCH)(H)2	C(B[5]O[5]2)(CCCH)(CCHH)(H)	H(CCCH)	111.7340	1.000	2	111.7340	1.000	2	110.0495	1.903	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(CNO)(H)2	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	H(CCCH)	C(CB[5]CH)(CNO)(H)2	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	H(CCCH)	109.2073	0.024	4	109.2073	0.001	4	110.0495	1.903	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CC[6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CC[6]O)(CCHH)(CH3)(H)	H(CCCH)	108.4880	0.000	1	108.4880	0.000	1	108.2555	0.470	13	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[6a]N)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[6a]N)(CCHH)2(H)	H(CCCH)	108.7543	0.070	3	108.7543	0.005	3	108.2555	0.470	13	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCN)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCN)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	107.4395	0.004	2	107.4395	0.000	2	108.2555	0.470	13	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CC[5,6]O)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CC[5,6]O)(CCHH)2(H)	H(CCCH)	108.4977	0.179	3	108.4977	0.032	3	108.2555	0.470	13	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CC[5]O)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CC[5]O)(CCHH)2(H)	H(CCCH)	107.3185	0.965	2	107.3185	0.932	2	108.2555	0.470	13	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[5]O)(CCHH)2(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[5]O)(CCHH)2(H)	H(CCCH)	108.7810	0.122	2	108.7810	0.015	2	108.2555	0.470	13	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-3:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(CCO)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,6]CH)(CCO)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	H(CCCH)	109.2535	0.066	2	109.2535	0.004	2	109.2535	0.004	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	109.6845	0.021	2	109.6845	0.000	2	109.4582	0.634	9	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	108.4730	0.010	2	108.4730	0.000	2	109.4582	0.634	9	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	H(CCCH)	110.3375	1.204	2	110.3375	1.450	2	109.4582	0.634	9	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]2)(CCHH)(CF3)(H)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]2)(CCHH)(CF3)(H)	H(CCCH)	109.3780	0.084	3	109.3780	0.007	3	109.4582	0.634	9	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	109.2420	0.000	1	109.2420	0.000	1	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	H(CCCH)	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	H(CCCH)	108.5152	0.825	4	108.5152	0.681	4	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	H(CCCH)	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	H(CCCH)	109.4290	0.010	2	109.4290	0.000	2	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	H(CCCH)	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	H(CCCH)	107.9380	4.574	2	107.9380	20.918	2	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[5]O)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5a]CH)(CC[5]O)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	108.8980	0.017	2	108.8980	0.000	2	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[5a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5a]CH)(CC[5a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	108.8200	0.215	4	108.8200	0.046	4	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[6a]N)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	H(CCCH)	C(CC[5a]CH)(CC[6a]N)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	H(CCCH)	110.3265	2.304	2	110.3265	5.311	2	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	108.3630	1.393	2	108.3630	1.940	2	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	H(CCCH)	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	H(CCCH)	108.7327	0.162	4	108.7327	0.026	4	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	H(CCCH)	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	H(CCCH)	108.9295	0.033	2	108.9295	0.001	2	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	H(CCCH)	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	H(CCCH)	108.6008	0.411	4	108.6008	0.169	4	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CNO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5a]CH)(CNO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	109.2325	0.046	2	109.2325	0.002	2	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CN[5]O)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	H(CCCH)	C(CC[5a]CH)(CN[5]O)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	H(CCCH)	109.9310	0.000	1	109.9310	0.000	1	108.8775	1.305	32	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	H(CCCH)	C(CC[5a]C[5]H)(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	H(CCCH)	108.9705	0.050	2	108.9705	0.003	2	109.0245	0.005	4	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(CC[5a]O)(H)2	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	H(CCCH)	C(CC[5a]C[5]H)(CC[5a]O)(H)2	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	H(CCCH)	109.0785	0.006	2	109.0785	0.000	2	109.0245	0.005	4	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2)(CCHH)(CH3)(H)	H(CCCH)	108.7367	0.252	3	108.7367	0.063	3	108.7367	0.063	3	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:P-4:H-1:	C-4:	C(CC[6]HP)(COO)(H)2	C(C[6]C[6]2)(CCHH)(PO3)(H)	H(CCCH)	C(CC[6]HP)(COO)(H)2	C(C[6]C[6]2)(CCHH)(PO3)(H)	H(CCCH)	112.8130	1.697	2	112.8130	2.880	2	112.8130	2.880	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:P-4:C-4:H-1:	C-4:	C(CC[6]HP)(CC[6a]O)(H)2	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	C(CC[6]HP)(CC[6a]O)(H)2	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	109.2770	0.020	2	109.2770	0.000	2	109.2523	0.285	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:P-4:C-4:H-1:	C-4:	C(CC[6]HP)(CC[6a]O)(H)2	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	C(CC[6]HP)(CC[6a]O)(H)2	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	108.6445	0.005	2	108.6445	0.000	2	109.2523	0.285	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-3:P-4:C-4:H-1:	C-4:	C(CC[6]HP)(CNO)(H)2	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	C(CC[6]HP)(CNO)(H)2	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	109.8355	0.076	2	109.8355	0.006	2	109.2523	0.285	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	109.2430	0.024	2	109.2430	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	108.1530	0.033	2	108.1530	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.7740	0.054	2	108.7740	0.003	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	H(CCCH)	109.3855	0.021	4	109.3855	0.000	4	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	109.0240	0.004	2	109.0240	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	109.2058	1.306	6	109.2058	1.706	6	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	109.0000	0.028	2	109.0000	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.4493	0.054	3	108.4493	0.003	3	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.5485	0.469	6	108.5485	0.220	6	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	108.6760	0.006	2	108.6760	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	109.1670	0.041	2	109.1670	0.002	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	H(CCCH)	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	H(CCCH)	109.4105	0.008	2	109.4105	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	109.1555	0.209	4	109.1555	0.044	4	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	108.9345	0.018	2	108.9345	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.8944	0.147	11	108.8944	0.022	11	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	H(CCCH)	109.1261	0.419	7	109.1261	0.176	7	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[6]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.9755	0.091	4	108.9755	0.008	4	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	109.0523	0.394	4	109.0523	0.155	4	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	109.4296	0.254	12	109.4296	0.064	12	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	108.8170	0.010	2	108.8170	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	H(CCCH)	109.3290	0.049	2	109.3290	0.002	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	109.2700	0.059	2	109.2700	0.004	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCH)	110.2590	2.571	2	110.2590	6.610	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCH)	109.3395	0.011	2	109.3395	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	108.7520	0.034	2	108.7520	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.5235	0.016	2	108.5235	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	108.6650	0.028	2	108.6650	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.9480	0.659	86	108.9480	0.435	86	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	108.5527	0.171	6	108.5527	0.029	6	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	H(CCCH)	108.9555	0.050	2	108.9555	0.003	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	H(CCCH)	109.1190	0.027	2	109.1190	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	H(CCCH)	108.9472	0.157	6	108.9472	0.025	6	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCH)	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCH)	108.7365	0.005	2	108.7365	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	109.2700	0.014	2	109.2700	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	109.0190	0.365	5	109.0190	0.133	5	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	109.1615	0.005	2	109.1615	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	109.1795	0.013	2	109.1795	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	H(CCCH)	109.4917	0.077	4	109.4917	0.006	4	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	109.1060	0.030	2	109.1060	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	109.0656	0.317	7	109.0656	0.100	7	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	H(CCCH)	109.2635	0.045	2	109.2635	0.002	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	109.2060	0.128	3	109.2060	0.016	3	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	113.2120	3.018	2	113.2120	9.108	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	109.1825	0.045	2	109.1825	0.002	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.9808	0.146	5	108.9808	0.021	5	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	H(CCCH)	109.6225	0.013	2	109.6225	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	108.8860	0.000	1	108.8860	0.000	1	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	H(CCCH)	C(CC[6a]CH)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	H(CCCH)	108.6580	0.027	2	108.6580	0.001	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	110.5720	1.767	3	110.5720	3.122	3	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	108.6055	0.009	2	108.6055	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.7639	0.468	25	108.7639	0.219	25	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	108.6018	0.604	45	108.6018	0.365	45	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.7683	0.141	11	108.7683	0.020	11	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	H(CCCH)	108.8898	0.406	5	108.8898	0.165	5	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	108.9223	0.445	4	108.9223	0.198	4	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CCCH)	109.1410	0.000	1	109.1410	0.000	1	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COS)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(COS)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	108.7900	0.011	2	108.7900	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COS)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(COS)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	109.0355	0.018	2	109.0355	0.000	2	108.9637	0.482	342	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	H(CCCH)	C(CC[6a]HN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	H(CCCH)	109.2185	0.047	2	109.2185	0.002	2	109.0674	0.200	16	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(CCCH)	109.2600	0.044	2	109.2600	0.002	2	109.0674	0.200	16	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	H(CCCH)	C(CC[6a]HN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	H(CCCH)	109.0101	0.508	12	109.0101	0.258	12	109.0674	0.200	16	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C(CC[6a]HP)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	H(CCCH)	C(CC[6a]HP)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	H(CCCH)	108.8805	0.073	2	108.8805	0.005	2	108.8345	0.063	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	H(CCCH)	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	H(CCCH)	108.8115	0.319	4	108.8115	0.102	4	108.8345	0.063	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(CCCH)	108.6203	0.207	6	108.6203	0.043	6	108.6203	0.043	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCH)(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCH)(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	H(CCCH)	109.2270	0.011	2	109.2270	0.000	2	109.0707	0.491	27	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.9632	0.374	6	108.9632	0.140	6	109.0707	0.491	27	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.8210	0.123	3	108.8210	0.015	3	109.0707	0.491	27	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.9973	0.986	12	108.9973	0.971	12	109.0707	0.491	27	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CNS)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CNS)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	109.6445	0.005	2	109.6445	0.000	2	109.0707	0.491	27	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CN[5]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CN[5]O)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	109.4785	0.023	2	109.4785	0.001	2	109.0707	0.491	27	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:Ge-4:C-4:H-1:	C-4:	C(CC[6a]GeH)(COO)(H)2	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	H(CCCH)	C(CC[6a]GeH)(COO)(H)2	C(C[6a]C[6a]2)(GeC[6a]3)(CCHH)(H)	H(CCCH)	108.8918	0.109	4	108.8918	0.012	4	108.8918	0.012	4	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	108.9225	0.011	2	108.9225	0.000	2	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	H(CCCH)	109.3578	0.030	6	109.3578	0.001	6	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CCCH)	108.5683	0.071	3	108.5683	0.005	3	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2Cu)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2Cu)(CCHH)(H)	H(CCCH)	109.0195	0.697	4	109.0195	0.485	4	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	109.1525	0.059	4	109.1525	0.003	4	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	108.9661	0.426	20	108.9661	0.182	20	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pt)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pt)(CCHH)(H)	H(CCCH)	108.7520	0.190	10	108.7520	0.036	10	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	109.0905	0.012	2	109.0905	0.000	2	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CCCH)	108.7755	0.043	2	108.7755	0.002	2	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]PdC)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]PdC)(CCHH)(H)	H(CCCH)	108.9988	0.140	4	108.9988	0.020	4	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CHO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CHO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	H(CCCH)	108.7140	0.033	2	108.7140	0.001	2	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CNO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CNO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	109.4637	0.179	7	109.4637	0.032	7	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CCCH)	108.9320	0.025	2	108.9320	0.001	2	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	109.2237	0.018	4	109.2237	0.000	4	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	H(CCCH)	108.1615	0.006	2	108.1615	0.000	2	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(COO)(H)2	C(C[6a]C[6a]N[6a])(PC[6a]2Au)(CCHH)(H)	H(CCCH)	109.4280	0.000	1	109.4280	0.000	1	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CRhO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CRhO)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CCHH)(H)	H(CCCH)	108.5888	0.093	4	108.5888	0.009	4	108.9809	0.152	79	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CCN)(H)2	C(NC[5a]C[6a])(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CCN)(H)2	C(NC[5a]C[6a])(CCHH)(CH3)(H)	H(CCCH)	107.9170	0.014	2	107.9170	0.000	2	108.8574	0.365	16	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CCO)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CCO)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	109.8995	0.062	2	109.8995	0.004	2	108.8574	0.365	16	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	108.9572	0.271	10	108.9572	0.074	10	108.8574	0.365	16	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(COO)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	108.2565	0.200	2	108.2565	0.040	2	108.8574	0.365	16	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CN[4]CH)(CC[6a]N)(H)2	C(N[4]C[4]2)(CCHH)2(H)	H(CCCH)	C(CN[4]CH)(CC[6a]N)(H)2	C(N[4]C[4]2)(CCHH)2(H)	H(CCCH)	109.0860	0.006	2	109.0860	0.000	2	109.0860	0.000	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CN[5a]CH)(CC[6a]O)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	108.3295	0.009	2	108.3295	0.000	2	108.7812	0.204	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CC[6a]O)(H)2	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CN[5a]CH)(CC[6a]O)(H)2	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	H(CCCH)	108.6885	0.046	2	108.6885	0.002	2	108.7812	0.204	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(COO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CN[5a]CH)(COO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	H(CCCH)	109.3255	0.019	2	109.3255	0.000	2	108.7812	0.204	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CNO)(H)2	C(N[6]C[6]2)(CCHH)2(H)	H(CCCH)	C(CN[6]CH)(CNO)(H)2	C(N[6]C[6]2)(CCHH)2(H)	H(CCCH)	108.3080	0.000	1	108.3080	0.000	1	109.4973	0.300	7	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2)(CCHH)(CH3)(H)	H(CCCH)	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2)(CCHH)(CH3)(H)	H(CCCH)	109.6955	0.174	6	109.6955	0.030	6	109.4973	0.300	7	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:O-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(H)(O)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCC)(H)(O)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:C-3:H-1:O-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCO)	C(CC[6a]CH)(CC[6a]O)(H)(O)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCO)	106.4120	0.000	1	106.4120	0.000	1	106.4120	0.000	1	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(NCC)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	H(CCHN)	C(CB[5]CH)(NCC)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	H(CCHN)	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CN[5]O)(CCHO)(CHHN)(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CN[5]O)(CCHO)(CHHN)(H)	H(CCHN)	108.4535	1.710	2	108.4535	2.926	2	110.4240	9.543	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CN[5]O)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CN[5]O)(CHHN)(CH3)(H)	H(CCHN)	108.5795	0.180	2	108.5795	0.033	2	110.4240	9.543	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CC[6a]O)(CHHN)(CC3)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CC[6a]O)(CHHN)(CC3)(H)	H(CCHN)	114.2390	1.039	2	114.2390	1.080	2	110.4240	9.543	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	H(CCHN)	108.8370	0.031	2	108.8370	0.001	2	108.8370	0.001	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	H(CCHN)	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	H(CCHN)	109.2615	0.019	2	109.2615	0.000	2	109.2615	0.000	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	H(CCHN)	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	H(CCHN)	110.6358	0.820	4	110.6358	0.673	4	110.1128	1.060	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	H(CCHN)	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	H(CCHN)	109.0670	0.018	2	109.0670	0.000	2	110.1128	1.060	6	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[5a]C[6]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	H(CCHN)	C(CC[5a]C[6]H)(NOO)(H)2	C(C[5a]C[5a]S[5a])(C[6]C[6]2H)(CHHN)(H)	H(CCHN)	109.5500	0.054	2	109.5500	0.003	2	109.5500	0.003	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(NCaC)(H)2	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	H(CCHN)	C(CC[6]CH)(NCaC)(H)2	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	H(CCHN)	109.8071	0.025	8	109.8071	0.001	8	109.8071	0.001	8	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	H(CCHN)	108.2840	0.000	1	108.2840	0.000	1	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	H(CCHN)	108.9450	0.016	2	108.9450	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	H(CCHN)	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	H(CCHN)	108.7792	0.135	5	108.7792	0.018	5	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	H(CCHN)	108.9270	0.007	2	108.9270	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	H(CCHN)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	H(CCHN)	111.1677	0.658	8	111.1677	0.433	8	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	H(CCHN)	108.9870	0.014	2	108.9870	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CCHN)	110.7590	1.980	2	110.7590	3.920	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	109.2230	0.208	3	109.2230	0.043	3	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	H(CCHN)	108.9625	0.100	2	108.9625	0.010	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	H(CCHN)	108.9955	0.021	2	108.9955	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NC[6a]2)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CCHN)	111.7318	1.039	4	111.7318	1.080	4	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	108.6860	0.048	2	108.6860	0.002	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	109.5425	0.045	2	109.5425	0.002	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	H(CCHN)	109.7030	0.049	2	109.7030	0.002	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	H(CCHN)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	H(CCHN)	109.6330	0.014	2	109.6330	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	H(CCHN)	109.8325	0.008	2	109.8325	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	H(CCHN)	109.3285	0.006	2	109.3285	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CCHN)	109.6331	0.792	27	109.6331	0.628	27	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	H(CCHN)	113.1103	3.665	6	113.1103	13.432	6	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	H(CCHN)	109.7110	0.021	2	109.7110	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	109.2119	0.181	7	109.2119	0.033	7	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCHN)	110.3519	1.696	8	110.3519	2.876	8	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	H(CCHN)	109.5650	0.006	2	109.5650	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	H(CCHN)	109.5330	0.011	2	109.5330	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	H(CCHN)	109.3343	0.483	15	109.3343	0.233	15	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	H(CCHN)	109.5095	0.005	2	109.5095	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	H(CCHN)	110.1560	0.000	1	110.1560	0.000	1	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	H(CCHN)	109.2545	0.015	2	109.2545	0.000	2	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	H(CCHN)	111.9915	2.564	4	111.9915	6.572	4	109.9192	2.302	123	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[4]-4:C-4:H-1:	C-4:	C(CC[6a]C[4]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	H(CCHN)	C(CC[6a]C[4]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[4]C[4]2S)(CHHN)(H)	H(CCHN)	109.7240	0.006	2	109.7240	0.000	2	109.7240	0.000	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NHH)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NHH)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	H(CCHN)	108.6905	0.006	2	108.6905	0.000	2	109.5287	0.157	41	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	H(CCHN)	109.5754	0.363	30	109.5754	0.132	30	109.5287	0.157	41	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	H(CCHN)	109.8960	0.027	2	109.8960	0.001	2	109.5287	0.157	41	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	H(CCHN)	109.4627	0.341	7	109.4627	0.116	7	109.5287	0.157	41	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NCC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NCC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	H(CCHN)	109.0658	1.013	18	109.0658	1.026	18	109.4735	1.017	51	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NHS)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NHS)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(CCHN)	109.7550	0.000	1	109.7550	0.000	1	109.4735	1.017	51	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CHHN)(H)	H(CCHN)	110.0832	1.669	10	110.0832	2.787	10	109.4735	1.017	51	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHHN)(H)	H(CCHN)	109.4792	0.246	20	109.4792	0.061	20	109.4735	1.017	51	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	H(CCHN)	109.8980	0.006	2	109.8980	0.000	2	109.4735	1.017	51	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	H(CCHN)	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	H(CCHN)	109.3305	0.005	2	109.3305	0.000	2	109.5253	0.114	3	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	H(CCHN)	C(CC[6a]HP)(NOO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	H(CCHN)	109.9150	0.000	1	109.9150	0.000	1	109.5253	0.114	3	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:	C(CC[6a]SiH)(NHS)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	H(CCHN)	C(CC[6a]SiH)(NHS)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHHN)(H)	H(CCHN)	109.2985	0.008	2	109.2985	0.000	2	109.2985	0.000	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	H(CCHN)	109.0828	0.149	10	109.0828	0.022	10	109.0828	0.022	10	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:1:	4:	C-4:P-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(CH3)(H)	H(CCHP)	C(CN[6]CH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(CH3)(H)	H(CCHP)	109.4630	0.264	2	109.4630	0.070	2	109.4630	0.070	2	109.2040	0.983	852	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:F-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CNO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	H(CCCF)	C(CC[6a]CO)(CNO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	H(CCCF)	108.3045	0.579	2	108.3045	0.335	2	108.3045	0.335	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(CCH)(H)2	C(CC[5]O)(CCCH)(CCHH)(OH)	H(CCCH)	C(CCCO)(CCH)(H)2	C(CC[5]O)(CCCH)(CCHH)(OH)	H(CCCH)	108.6905	0.090	2	108.6905	0.008	2	108.6905	0.008	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	H(CCCH)	109.2070	0.027	2	109.2070	0.001	2	109.2070	0.001	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:O-2:	C-4:	C(CC[5a]CO)(CCH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	H(CCCH)	C(CC[5a]CO)(CCH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	H(CCCH)	108.9780	0.024	2	108.9780	0.001	2	108.9780	0.001	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	H(CCCH)	108.2775	0.018	2	108.2775	0.000	2	108.2775	0.000	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	H(CCCH)	108.8990	0.107	4	108.8990	0.011	4	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	109.3500	0.111	3	109.3500	0.012	3	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	H(CCCH)	108.9032	0.132	4	108.9032	0.017	4	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	H(CCCH)	109.0710	0.000	1	109.0710	0.000	1	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	H(CCCH)	C(CC[6a]CO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	H(CCCH)	108.3443	0.440	4	108.3443	0.193	4	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	C(CC[6a]CO)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	108.9105	0.111	6	108.9105	0.012	6	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	C(CC[6a]CO)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	109.1230	0.011	2	109.1230	0.000	2	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	C(CC[6a]CO)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	H(CCCH)	109.1890	0.030	2	109.1890	0.001	2	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	H(CCCH)	110.1415	0.528	4	110.1415	0.279	4	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	H(CCCH)	C(CC[6a]CO)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	H(CCCH)	109.4675	4.198	2	109.4675	17.624	2	109.1030	0.866	32	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:P-4:C-4:O-2:	C-4:	C(CC[6a]OP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	H(CCCH)	C(CC[6a]OP)(CCO)(H)2	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	H(CCCH)	108.0355	0.033	4	108.0355	0.001	4	108.0355	0.001	4	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:S-4:C-4:C-2:	C-4:	C(CC[6a]CS)(CCH)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	H(CCCH)	C(CC[6a]CS)(CCH)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	H(CCCH)	109.4650	0.006	2	109.4650	0.000	2	109.4650	0.000	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:O-2:	C-4:	C(CC[5a]CO)(NC[6a]C)(H)2	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	H(CCHN)	C(CC[5a]CO)(NC[6a]C)(H)2	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	H(CCHN)	108.3150	0.027	2	108.3150	0.001	2	108.3150	0.001	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(OH)	H(CCHN)	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(OH)	H(CCHN)	108.2755	0.444	4	108.2755	0.198	4	109.1288	0.401	18	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	H(CCHN)	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	H(CCHN)	109.4490	0.007	2	109.4490	0.000	2	109.1288	0.401	18	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	H(CCHN)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	H(CCHN)	109.1930	0.033	4	109.1930	0.001	4	109.1288	0.401	18	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	H(CCHN)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	H(CCHN)	109.3415	1.290	2	109.3415	1.665	2	109.1288	0.401	18	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	H(CCHN)	C(CC[6a]CO)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	H(CCHN)	109.5490	0.561	2	109.5490	0.315	2	109.1288	0.401	18	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	H(CCHN)	C(CC[6a]CO)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	H(CCHN)	109.1850	0.037	2	109.1850	0.001	2	109.1288	0.401	18	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	H(CCHN)	C(CC[6a]CO)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	H(CCHN)	109.6980	0.045	2	109.6980	0.002	2	109.1288	0.401	18	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:S-2:	C-4:	C(CC[6a]CS)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(SC)	H(CCHN)	C(CC[6a]CS)(NHH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(SC)	H(CCHN)	108.3515	0.028	2	108.3515	0.001	2	108.3515	0.001	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:2:	4:	C-4:N-3:H-1:H-1:	N-3:C-4:C-4:C-2:	C-4:	C(CCCN)(NCC)(H)2	C(NC[6]C)(CCCH)(CHHN)(CN)	H(CCHN)	C(CCCN)(NCC)(H)2	C(NC[6]C)(CCCH)(CHHN)(CN)	H(CCHN)	93.4532	2.817	2	93.4532	7.935	2	93.4532	7.935	2	108.5256	7.296	72	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CC[5]O)(CCHH)2(COO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[5]O)(CCHH)2(COO)	H(CCCH)	108.6877	0.213	16	108.6877	0.046	16	108.6500	0.052	18	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CC[6a]C)(CCHH)(CHHO)(COO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[6a]C)(CCHH)(CHHO)(COO)	H(CCCH)	108.3480	0.011	2	108.3480	0.000	2	108.6500	0.052	18	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(COO)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	H(CCCH)	C(CC[5a]CC)(COO)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	H(CCCH)	108.5782	0.352	4	108.5782	0.124	4	108.5782	0.124	4	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	H(CCCH)	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	H(CCCH)	108.6720	1.530	2	108.6720	2.341	2	108.8154	0.782	19	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	H(CCCH)	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	H(CCCH)	108.7500	0.082	3	108.7500	0.007	3	108.8154	0.782	19	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	H(CCCH)	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	H(CCCH)	108.1778	0.209	4	108.1778	0.044	4	108.8154	0.782	19	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CCHH)(COO)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CCHH)(COO)	H(CCCH)	108.8860	0.006	2	108.8860	0.000	2	108.8154	0.782	19	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(COO)	H(CCCH)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(COO)	H(CCCH)	108.9660	0.004	2	108.9660	0.000	2	108.8154	0.782	19	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CC[5]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	H(CCCH)	C(CC[6a]CC)(CC[5]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	H(CCCH)	109.4693	1.648	4	109.4693	2.716	4	108.8154	0.782	19	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	H(CCCH)	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	H(CCCH)	108.8035	0.016	2	108.8035	0.000	2	108.8154	0.782	19	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	H(CCCH)	C(CC[6a]CN)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	H(CCCH)	108.7655	0.008	2	108.7655	0.000	2	108.3730	0.206	4	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	H(CCCH)	C(CC[6a]CN)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	H(CCCH)	107.9805	0.015	2	107.9805	0.000	2	108.3730	0.206	4	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(CNO)(H)2	C(NC[6a]H)(CCHH)(CH3)(CNO)	H(CCCH)	C(CCCN)(CNO)(H)2	C(NC[6a]H)(CCHH)(CH3)(CNO)	H(CCCH)	108.8303	0.077	6	108.8303	0.006	6	108.8303	0.006	6	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:	C(CC[5a]CC)(NCS)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	H(CCHN)	C(CC[5a]CC)(NCS)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	H(CCHN)	108.6480	0.023	2	108.6480	0.001	2	108.6480	0.001	2	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	H(CCHN)	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	H(CCHN)	109.0658	0.382	6	109.0658	0.146	6	109.0658	0.146	6	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(NOO)	H(CCHN)	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(NOO)	H(CCHN)	107.2322	1.125	4	107.2322	1.266	4	108.1869	1.584	8	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	H(CCHN)	C(CC[6a]CN)(NCH)(H)2	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	H(CCHN)	109.1530	0.004	2	109.1530	0.000	2	108.1869	1.584	8	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	H(CCHN)	C(CC[6a]CN)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	H(CCHN)	109.1300	0.023	2	109.1300	0.001	2	108.1869	1.584	8	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:P-4:N-3:	C-4:	C(CC[6a]NP)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	H(CCHN)	C(CC[6a]NP)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	H(CCHN)	108.5970	0.023	2	108.5970	0.001	2	108.5970	0.001	2	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:3:	4:	C-4:N-3:H-1:H-1:	N[5a]-3:C-4:C-4:C-3:	C-4:	C(CN[5a]CC)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	H(CCHN)	C(CN[5a]CC)(NCH)(H)2	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	H(CCHN)	109.0738	0.096	10	109.0738	0.009	10	109.0738	0.009	10	108.7228	0.424	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(H)2	C(CC[6]O)(CCHH)(CH3)2	H(CCCH)	C(CC3)(CCO)(H)2	C(CC[6]O)(CCHH)(CH3)2	H(CCCH)	108.6400	0.058	2	108.6400	0.003	2	108.6400	0.003	2	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCCH)	C(CC[5a]CC)(CCO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCCH)	107.5590	0.272	2	107.5590	0.074	2	108.0259	0.117	7	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CC[6]O)(H)2	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	H(CCCH)	C(CC[5a]CC)(CC[6]O)(H)2	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	H(CCCH)	108.2083	0.087	3	108.2083	0.008	3	108.0259	0.117	7	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	H(CCCH)	C(CC[5a]CC)(CC[6a]O)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	H(CCCH)	108.2190	0.017	2	108.2190	0.000	2	108.0259	0.117	7	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CNO)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6]CC)(CNO)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCCH)	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]CC)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	109.3837	0.944	4	109.3837	0.891	4	108.7727	0.719	12	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	H(CCCH)	C(CC[6a]CC)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	H(CCCH)	108.6025	0.029	2	108.6025	0.001	2	108.7727	0.719	12	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	H(CCCH)	C(CC[6a]CC)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	H(CCCH)	108.9123	0.134	4	108.9123	0.018	4	108.7727	0.719	12	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	H(CCCH)	C(CC[6a]CC)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	H(CCCH)	107.4415	0.070	2	107.4415	0.005	2	108.7727	0.719	12	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:P-4:C-4:	C-4:	C(CC[6a]CP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	H(CCCH)	C(CC[6a]CP)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	H(CCCH)	108.0135	0.067	2	108.0135	0.005	2	108.0135	0.005	2	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	108.2100	0.475	7	108.2100	0.225	7	108.2905	0.245	8	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(CNO)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CNO)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	108.8540	0.000	1	108.8540	0.000	1	108.2905	0.245	8	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(CCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCCH)	C(CN[5a]CC)(CCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	H(CCCH)	107.9265	0.100	4	107.9265	0.010	4	107.9265	0.010	4	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:C-3:H-1:H-1:	O-3:C-4:C-4:C-4:	C-4:	C(CCCO)(CCN)(H)2	C(OInLi)(CCHH)(CF3)2	H(CCCH)	C(CCCO)(CCN)(H)2	C(OInLi)(CCHH)(CF3)2	H(CCCH)	108.4920	0.008	2	108.4920	0.000	2	108.4920	0.000	2	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	H(CCHN)	C(CC[5a]CC)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	H(CCHN)	108.7105	0.045	2	108.7105	0.002	2	108.7105	0.002	2	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(NAlC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	C(CC[6]CC)(NAlC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	109.1702	0.259	12	109.1702	0.067	12	108.8785	0.185	22	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(NCuC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	C(CC[6]CC)(NCuC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	108.5285	0.314	10	108.5285	0.099	10	108.8785	0.185	22	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	H(CCHN)	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	H(CCHN)	108.5340	0.316	4	108.5340	0.100	4	108.6044	0.171	23	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	H(CCHN)	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	H(CCHN)	108.2175	0.028	2	108.2175	0.001	2	108.6044	0.171	23	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	H(CCHN)	C(CC[6a]CC)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	H(CCHN)	108.1033	0.029	4	108.1033	0.001	4	108.6044	0.171	23	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	C(CC[6a]CC)(NCS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	108.4977	0.029	3	108.4977	0.001	3	108.6044	0.171	23	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCuC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	C(CC[6a]CC)(NCuC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	108.5880	0.024	2	108.5880	0.001	2	108.6044	0.171	23	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	H(CCHN)	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	H(CCHN)	109.4090	0.037	2	109.4090	0.001	2	108.6044	0.171	23	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	H(CCHN)	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	H(CCHN)	108.9052	0.223	6	108.9052	0.050	6	108.6044	0.171	23	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:N-3:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(NCC)(H)2	C(N[6]C[6]2)(CHHN)2(CH3)	H(CCHN)	C(CN[6]CC)(NCC)(H)2	C(N[6]C[6]2)(CHHN)2(CH3)	H(CCHN)	108.7587	2.037	4	108.7587	4.149	4	108.7587	4.149	4	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(OCrFe)(H)2	C(C[6a]C[6a]2)(CHHO)3	H(CCHO)	C(CC[6a]CC)(OCrFe)(H)2	C(C[6a]C[6a]2)(CHHO)3	H(CCHO)	108.8562	0.086	5	108.8562	0.007	5	108.8618	0.060	10	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:O-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(OFe2)(H)2	C(C[6a]C[6a]2)(CHHO)3	H(CCHO)	C(CC[6a]CC)(OFe2)(H)2	C(C[6a]C[6a]2)(CHHO)3	H(CCHO)	108.8674	0.356	5	108.8674	0.127	5	108.8618	0.060	10	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	3:4:4:4:	4:	C-4:S-3:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(SFe2)(H)2	C(C[6]C[6]N[6])(CHHS)2(CH3)	H(CCHS)	C(CC[6]CC)(SFe2)(H)2	C(C[6]C[6]N[6])(CHHS)2(CH3)	H(CCHS)	107.6952	0.246	6	107.6952	0.060	6	107.6952	0.060	6	108.5629	0.429	105	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:B-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(BCC)(H)2	C(CBHH)(H)3	H(CBCH)	C(CH3)(BCC)(H)2	C(CBHH)(H)3	H(CBCH)	108.0842	0.802	10	108.0842	0.644	10	108.1397	0.544	12	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:B-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(BCW)(H)2	C(CBHH)(H)3	H(CBCH)	C(CH3)(BCW)(H)2	C(CBHH)(H)3	H(CBCH)	108.4170	0.088	2	108.4170	0.008	2	108.1397	0.544	12	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CH3)(CCH)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	108.4230	0.000	1	108.4230	0.000	1	109.7120	3.323	2	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CH3)(COO)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	111.0010	0.000	1	111.0010	0.000	1	109.7120	3.323	2	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CClH)(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	C(CClHH)(CClH)(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	105.3780	0.000	1	105.3780	0.000	1	105.3780	0.000	1	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CH3)(CNO)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	109.4820	0.000	1	109.4820	0.000	1	108.7177	0.553	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CH3)(COO)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	108.4630	0.663	3	108.4630	0.439	3	108.7177	0.553	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:F-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(CNO)(F)(H)	C(CCFH)(F)3	H(CCCF)	C(CF3)(CNO)(F)(H)	C(CCFH)(F)3	H(CCCF)	110.2440	0.097	3	110.2440	0.009	3	110.2440	0.009	3	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CH3)(CNO)(F)(H)	C(CCFH)(H)3	H(CCCF)	108.8610	0.151	2	108.8610	0.023	2	109.0270	0.094	3	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COS)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CH3)(COS)(F)(H)	C(CCFH)(H)3	H(CCCF)	109.3590	0.000	1	109.3590	0.000	1	109.0270	0.094	3	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CNO)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CBrHH)(CNO)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	109.2545	0.036	2	109.2545	0.001	2	109.2545	0.001	2	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CNO)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CNO)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.0943	1.169	17	109.0943	1.366	17	109.1862	0.569	45	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(COO)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(COO)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.2421	0.330	28	109.2421	0.109	28	109.1862	0.569	45	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(CCH)(H)2	C(CCHH)(F)3	H(CCCH)	C(CF3)(CCH)(H)2	C(CCHH)(F)3	H(CCCH)	108.9970	0.113	4	108.9970	0.013	4	109.0622	0.018	6	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(CNS)(H)2	C(CCHH)(F)3	H(CCCH)	C(CF3)(CNS)(H)2	C(CCHH)(F)3	H(CCCH)	109.1925	0.036	2	109.1925	0.001	2	109.0622	0.018	6	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CBC)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CBC)(H)2	C(CCHH)(H)3	H(CCCH)	108.9620	0.013	2	108.9620	0.000	2	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCC)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCC)(H)2	C(CCHH)(H)3	H(CCCH)	108.7082	0.961	140	108.7082	0.923	140	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCH)(H)2	C(CCHH)(H)3	H(CCCH)	109.0134	0.731	71	109.0134	0.535	71	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCI)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCI)(H)2	C(CCHH)(H)3	H(CCCH)	112.3160	2.415	2	112.3160	5.835	2	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCN)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCN)(H)2	C(CCHH)(H)3	H(CCCH)	109.0892	0.815	131	109.0892	0.665	131	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCO)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCO)(H)2	C(CCHH)(H)3	H(CCCH)	108.9325	1.156	117	108.9325	1.336	117	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCP)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCP)(H)2	C(CCHH)(H)3	H(CCCH)	108.5590	0.520	7	108.5590	0.271	7	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCS)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCS)(H)2	C(CCHH)(H)3	H(CCCH)	110.1453	1.883	6	110.1453	3.546	6	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCW)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CCW)(H)2	C(CCHH)(H)3	H(CCCH)	109.4980	0.052	2	109.4980	0.003	2	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHH)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CHH)(H)2	C(CCHH)(H)3	H(CCCH)	108.4702	4.383	46	108.4702	19.213	46	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHN)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CHN)(H)2	C(CCHH)(H)3	H(CCCH)	107.4714	4.058	6	107.4714	16.465	6	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHO)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CHO)(H)2	C(CCHH)(H)3	H(CCCH)	110.0127	2.608	3	110.0127	6.802	3	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHP)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CHP)(H)2	C(CCHH)(H)3	H(CCCH)	109.1810	0.000	1	109.1810	0.000	1	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNN)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CNN)(H)2	C(CCHH)(H)3	H(CCCH)	109.0509	0.666	108	109.0509	0.443	108	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CNO)(H)2	C(CCHH)(H)3	H(CCCH)	108.9297	1.538	217	108.9297	2.364	217	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNS)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CNS)(H)2	C(CCHH)(H)3	H(CCCH)	108.3441	0.571	10	108.3441	0.326	10	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNW)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CNW)(H)2	C(CCHH)(H)3	H(CCCH)	109.6660	0.188	4	109.6660	0.035	4	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(COO)(H)2	C(CCHH)(H)3	H(CCCH)	108.8650	1.260	177	108.8650	1.587	177	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CSS)(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)(CSS)(H)2	C(CCHH)(H)3	H(CCCH)	108.0262	0.999	14	108.0262	0.997	14	108.9001	2.196	1064	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:S-1:	C-4:	C(CHHS)(COO)(H)2	C(CCHH)(H)2(S)	H(CCCH)	C(CHHS)(COO)(H)2	C(CCHH)(H)2(S)	H(CCCH)	109.6265	1.091	6	109.6265	1.190	6	109.6265	1.190	6	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:H-1:I-1:I-1:	C-4:	C(CHII)(COO)(H)2	C(CCHH)(H)(I)2	H(CCCH)	C(CHII)(COO)(H)2	C(CCHH)(H)(I)2	H(CCCH)	109.0715	0.030	2	109.0715	0.001	2	109.0715	0.001	2	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(NCS)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	C(CBrHH)(NCS)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	109.8695	0.012	2	109.8695	0.000	2	109.8695	0.000	2	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.1697	0.544	18	109.1697	0.296	18	109.1069	0.195	51	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.0360	0.526	12	109.0360	0.277	12	109.1069	0.195	51	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCN)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCN)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.1313	0.108	3	109.1313	0.012	3	109.1069	0.195	51	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCP)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCP)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.1190	0.355	3	109.1190	0.126	3	109.1069	0.195	51	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCS)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.0787	0.298	9	109.0787	0.089	9	109.1069	0.195	51	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NHS)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NHS)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	108.8725	0.078	4	108.8725	0.006	4	109.1069	0.195	51	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NReC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NReC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.5090	0.016	2	109.5090	0.000	2	109.1069	0.195	51	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(NCC)(H)2	C(CHHN)(F)3	H(CCHN)	C(CF3)(NCC)(H)2	C(CHHN)(F)3	H(CCHN)	109.2751	0.614	9	109.2751	0.377	9	109.1972	0.743	13	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(NCH)(H)2	C(CHHN)(F)3	H(CCHN)	C(CF3)(NCH)(H)2	C(CHHN)(F)3	H(CCHN)	109.0217	1.380	4	109.0217	1.904	4	109.1972	0.743	13	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(NCH)(H)2	C(CHHN)(F)(H)2	H(CCHN)	C(CFHH)(NCH)(H)2	C(CHHN)(F)(H)2	H(CCHN)	110.1370	1.216	2	110.1370	1.479	2	109.6430	0.819	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(NHS)(H)2	C(CHHN)(F)(H)2	H(CCHN)	C(CFHH)(NHS)(H)2	C(CHHN)(F)(H)2	H(CCHN)	109.1490	0.013	2	109.1490	0.000	2	109.6430	0.819	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NBC)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NBC)(H)2	C(CHHN)(H)3	H(CCHN)	108.8530	0.292	34	108.8530	0.085	34	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCC)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NCC)(H)2	C(CHHN)(H)3	H(CCHN)	109.0918	0.857	2457	109.0918	0.735	2457	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCH)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NCH)(H)2	C(CHHN)(H)3	H(CCHN)	109.3031	1.333	474	109.3031	1.777	474	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCN)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NCN)(H)2	C(CHHN)(H)3	H(CCHN)	109.5356	1.689	16	109.5356	2.853	16	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCO)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NCO)(H)2	C(CHHN)(H)3	H(CCHN)	109.3564	0.122	10	109.3564	0.015	10	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCP)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NCP)(H)2	C(CHHN)(H)3	H(CCHN)	108.8179	0.907	415	108.8179	0.822	415	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCS)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NCS)(H)2	C(CHHN)(H)3	H(CCHN)	109.4412	1.711	29	109.4412	2.928	29	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCW)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NCW)(H)2	C(CHHN)(H)3	H(CCHN)	110.9265	2.210	4	110.9265	4.885	4	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NHH)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NHH)(H)2	C(CHHN)(H)3	H(CCHN)	109.3495	0.374	2	109.3495	0.140	2	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NHP)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NHP)(H)2	C(CHHN)(H)3	H(CCHN)	109.0727	0.686	7	109.0727	0.471	7	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NNP)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NNP)(H)2	C(CHHN)(H)3	H(CCHN)	108.6997	0.127	4	108.6997	0.016	4	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NOO)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NOO)(H)2	C(CHHN)(H)3	H(CCHN)	109.8225	0.029	2	109.8225	0.001	2	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NPP)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NPP)(H)2	C(CHHN)(H)3	H(CCHN)	108.7385	0.188	14	108.7385	0.035	14	109.0920	0.926	3468	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(H)2(N)	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(H)2(N)	H(CCHN)	108.7155	0.062	2	108.7155	0.004	2	108.0445	0.667	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(H)2(N)	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(H)2(N)	H(CCHN)	107.3735	0.442	2	107.3735	0.195	2	108.0445	0.667	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(H)2(O)	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(H)2(O)	H(CCHN)	109.5300	0.014	2	109.5300	0.000	2	109.2878	0.079	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(NCH)(H)2	C(CHHN)(H)2(O)	H(CCHN)	C(CHHO)(NCH)(H)2	C(CHHN)(H)2(O)	H(CCHN)	109.0455	0.025	2	109.0455	0.001	2	109.2878	0.079	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OBC)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OBC)(H)2	C(CHHO)(H)3	H(CCHO)	110.3349	2.059	11	110.3349	4.241	11	109.6769	3.364	31	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OCH)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OCH)(H)2	C(CHHO)(H)3	H(CCHO)	108.0530	0.038	2	108.0530	0.001	2	109.6769	3.364	31	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OCV)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OCV)(H)2	C(CHHO)(H)3	H(CCHO)	109.5633	2.278	10	109.5633	5.191	10	109.6769	3.364	31	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OCW)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OCW)(H)2	C(CHHO)(H)3	H(CCHO)	109.1815	0.088	4	109.1815	0.008	4	109.6769	3.364	31	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OHH)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OHH)(H)2	C(CHHO)(H)3	H(CCHO)	109.7130	0.123	2	109.7130	0.015	2	109.6769	3.364	31	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(OVV)(H)2	C(CHHO)(H)3	H(CCHO)	C(CH3)(OVV)(H)2	C(CHHO)(H)3	H(CCHO)	109.2050	0.393	2	109.2050	0.155	2	109.6769	3.364	31	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PCC)(H)2	C(CHHP)(H)3	H(CCHP)	C(CH3)(PCC)(H)2	C(CHHP)(H)3	H(CCHP)	108.9373	1.959	12	108.9373	3.837	12	109.2820	1.826	26	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PCN)(H)2	C(CHHP)(H)3	H(CCHP)	C(CH3)(PCN)(H)2	C(CHHP)(H)3	H(CCHP)	109.4525	0.026	4	109.4525	0.001	4	109.2820	1.826	26	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PPP)(H)2	C(CHHP)(H)3	H(CCHP)	C(CH3)(PPP)(H)2	C(CHHP)(H)3	H(CCHP)	109.6275	0.279	10	109.6275	0.078	10	109.2820	1.826	26	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(SCS)(H)2	C(CHHS)(Cl)(H)2	H(CCHS)	C(CClHH)(SCS)(H)2	C(CHHS)(Cl)(H)2	H(CCHS)	108.7780	0.045	2	108.7780	0.002	2	109.1610	0.197	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(SIr2)(H)2	C(CHHS)(Cl)(H)2	H(CCHS)	C(CClHH)(SIr2)(H)2	C(CHHS)(Cl)(H)2	H(CCHS)	109.5440	0.044	2	109.5440	0.002	2	109.1610	0.197	4	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SCC)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SCC)(H)2	C(CHHS)(H)3	H(CCHS)	108.6005	2.222	6	108.6005	4.939	6	109.0560	1.124	33	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SCI)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SCI)(H)2	C(CHHS)(H)3	H(CCHS)	109.2052	0.704	15	109.2052	0.496	15	109.0560	1.124	33	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SCO)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SCO)(H)2	C(CHHS)(H)3	H(CCHS)	109.6128	0.246	4	109.6128	0.060	4	109.0560	1.124	33	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SCV)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SCV)(H)2	C(CHHS)(H)3	H(CCHS)	108.9840	0.048	4	108.9840	0.002	4	109.0560	1.124	33	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SWW)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SWW)(H)2	C(CHHS)(H)3	H(CCHS)	108.6950	0.510	4	108.6950	0.260	4	109.0560	1.124	33	109.0536	1.227	4790	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:F-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(F)(H)	C(CCFH)(OC)(H)2	H(CCCF)	C(CHHO)(CCH)(F)(H)	C(CCFH)(OC)(H)2	H(CCCF)	108.8919	0.299	7	108.8919	0.089	7	108.8919	0.089	7	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.2986	0.097	9	109.2986	0.009	9	108.8923	1.477	24	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHN)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	C(CCHH)(CHN)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	104.9840	0.639	2	104.9840	0.409	2	108.8923	1.477	24	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.1829	0.066	9	109.1829	0.004	9	108.8923	1.477	24	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.2788	0.133	4	109.2788	0.018	4	108.8923	1.477	24	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	108.5165	0.047	2	108.5165	0.002	2	108.9360	0.118	6	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	109.1457	0.139	4	109.1457	0.019	4	108.9360	0.118	6	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCC)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CCC)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.4828	0.467	5	108.4828	0.218	5	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCC)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CCC)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.9783	0.210	6	108.9783	0.044	6	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCC)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CHHO)(CCC)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	107.3405	0.021	2	107.3405	0.000	2	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CCH)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.2200	1.189	21	108.2200	1.415	21	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CCH)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	107.1635	0.291	2	107.1635	0.084	2	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CHHO)(CCH)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.3030	1.458	3	108.3030	2.124	3	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CCO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.9210	0.206	5	108.9210	0.043	5	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCS)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CCS)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.7226	1.715	5	108.7226	2.941	5	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHH)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CHH)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	110.1071	1.731	15	110.1071	2.997	15	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CNO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CNO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.2690	0.005	4	109.2690	0.000	4	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(COO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.5805	0.013	2	108.5805	0.000	2	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(H)2	C(CCHH)(OO)(H)2	H(CCCH)	C(CHHO)(COO)(H)2	C(CCHH)(OO)(H)2	H(CCCH)	108.8265	0.035	2	108.8265	0.001	2	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CSiC)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CSiC)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.8120	0.086	2	109.8120	0.007	2	108.8400	1.841	74	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CCH)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CHHS)(CCH)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	109.0467	0.140	3	109.0467	0.020	3	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNN)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHS)(CNN)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.1850	0.162	4	109.1850	0.026	4	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHS)(CNO)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.1660	0.326	4	109.1660	0.106	4	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(H)2	C(CCHH)(SNi)(H)2	H(CCCH)	C(CHHS)(CNO)(H)2	C(CCHH)(SNi)(H)2	H(CCCH)	108.8670	0.016	2	108.8670	0.000	2	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CHHS)(CNO)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	109.0435	0.025	2	109.0435	0.001	2	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.0869	0.530	35	109.0869	0.281	35	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(CCHH)(SFe)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(CCHH)(SFe)(H)2	H(CCCH)	108.6190	0.340	4	108.6190	0.116	4	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(CCHH)(SPt)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(CCHH)(SPt)(H)2	H(CCCH)	108.5550	0.021	2	108.5550	0.000	2	109.0356	0.214	56	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(COO)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	C(CSeHH)(COO)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	108.8903	0.288	4	108.8903	0.083	4	108.8903	0.083	4	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	107.9055	1.748	6	107.9055	3.054	6	108.9335	0.511	55	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	109.0303	0.357	36	109.0303	0.128	36	108.9335	0.511	55	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	109.4607	0.104	3	109.4607	0.011	3	108.9335	0.511	55	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	108.8975	0.054	2	108.8975	0.003	2	108.9335	0.511	55	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	109.0437	0.153	6	109.0437	0.023	6	108.9335	0.511	55	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	109.1895	0.066	2	109.1895	0.004	2	108.9335	0.511	55	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	108.9982	0.706	237	108.9982	0.499	237	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NH)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NH)(H)2	H(CCHN)	108.8787	0.054	4	108.8787	0.003	4	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NS)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NS)(H)2	H(CCHN)	109.0620	1.375	2	109.0620	1.890	2	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.2981	0.575	39	109.2981	0.331	39	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NH)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NH)(H)2	H(CCHN)	108.8280	2.985	2	108.8280	8.913	2	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	109.2900	0.968	5	109.2900	0.937	5	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NS)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NS)(H)2	H(CCHN)	109.3555	0.021	2	109.3555	0.000	2	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.8630	0.000	1	109.8630	0.000	1	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NHS)(H)2	C(CHHN)(NS)(H)2	H(CCHN)	C(CHHN)(NHS)(H)2	C(CHHN)(NS)(H)2	H(CCHN)	109.8610	0.000	1	109.8610	0.000	1	109.0491	0.513	293	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.7921	0.641	291	108.7921	0.411	291	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OGe)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OGe)(H)2	H(CCHN)	110.1944	0.432	20	110.1944	0.186	20	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.9546	0.535	164	108.9546	0.286	164	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	108.1770	0.006	2	108.1770	0.000	2	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	110.4057	0.829	106	110.4057	0.687	106	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NCH)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.2411	0.519	110	109.2411	0.269	110	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NCH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.4723	0.827	75	109.4723	0.684	75	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCH)(H)2	C(CHHN)(ON)(H)2	H(CCHN)	C(CHHO)(NCH)(H)2	C(CHHN)(ON)(H)2	H(CCHN)	109.0485	0.167	6	109.0485	0.028	6	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCN)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NCN)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.9237	0.034	3	108.9237	0.001	3	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NCS)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.9068	0.632	24	108.9068	0.399	24	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NCS)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.1270	0.374	9	109.1270	0.140	9	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	H(CCHN)	C(CHHO)(NCS)(H)2	C(CHHN)(OS)(H)2	H(CCHN)	109.4377	0.402	7	109.4377	0.161	7	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCoC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NCoC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.3220	0.000	1	108.3220	0.000	1	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCoC)(H)2	C(CHHN)(OCo)(H)2	H(CCHN)	C(CHHO)(NCoC)(H)2	C(CHHN)(OCo)(H)2	H(CCHN)	110.2897	0.107	4	110.2897	0.011	4	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCuC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NCuC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.3775	0.006	2	109.3775	0.000	2	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NFeC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NFeC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.5220	0.192	8	109.5220	0.037	8	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NHH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NHH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.7025	0.086	2	109.7025	0.007	2	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NHP)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.2866	0.393	9	109.2866	0.155	9	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NHS)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NHS)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.1487	0.483	6	109.1487	0.233	6	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NIrC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NIrC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.1105	0.458	4	109.1105	0.210	4	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NMnC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NMnC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.5053	0.112	8	109.5053	0.013	8	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NMoC)(H)2	C(CHHN)(OMo)(H)2	H(CCHN)	C(CHHO)(NMoC)(H)2	C(CHHN)(OMo)(H)2	H(CCHN)	110.5535	0.057	2	110.5535	0.003	2	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NNiC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NNiC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.4365	0.135	6	109.4365	0.018	6	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NNiC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NNiC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.4364	0.261	8	109.4364	0.068	8	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NPP)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NPP)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.4760	0.020	2	108.4760	0.000	2	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NPdC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NPdC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.0406	0.398	12	109.0406	0.159	12	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NPdC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NPdC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.7395	0.127	2	109.7395	0.016	2	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NPtC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NPtC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	110.4022	3.765	10	110.4022	14.174	10	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NPtC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NPtC)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.2577	0.325	6	109.2577	0.106	6	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NRhC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NRhC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.4120	0.290	4	109.4120	0.084	4	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NRuC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NRuC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.3777	0.054	4	109.3777	0.003	4	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NSnC)(H)2	C(CHHN)(OSn)(H)2	H(CCHN)	C(CHHO)(NSnC)(H)2	C(CHHN)(OSn)(H)2	H(CCHN)	110.6930	1.682	5	110.6930	2.828	5	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NZnC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NZnC)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.3332	0.449	9	109.3332	0.202	9	109.2432	0.819	931	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.8129	0.825	75	108.8129	0.680	75	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	108.4595	0.047	2	108.4595	0.002	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SIn)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SIn)(H)2	H(CCHN)	108.7973	0.317	11	108.7973	0.100	11	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.0832	0.893	30	109.0832	0.798	30	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	109.2659	0.169	10	109.2659	0.029	10	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NCS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.2724	0.282	8	109.2724	0.080	8	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCuC)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	C(CHHS)(NCuC)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	108.9725	0.023	2	108.9725	0.001	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NHH)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	C(CHHS)(NHH)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	110.9740	5.532	2	110.9740	30.607	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NHP)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	C(CHHS)(NHP)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	108.9450	0.251	4	108.9450	0.063	4	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NHS)(H)2	C(CHHN)(SP)(H)2	H(CCHN)	C(CHHS)(NHS)(H)2	C(CHHN)(SP)(H)2	H(CCHN)	109.6420	0.031	2	109.6420	0.001	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NNiC)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	C(CHHS)(NNiC)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	109.9323	0.399	12	109.9323	0.159	12	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NReC)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	C(CHHS)(NReC)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	109.2425	1.496	2	109.2425	2.237	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NReH)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	C(CHHS)(NReH)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	114.0340	4.740	2	114.0340	22.472	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NRhH)(H)2	C(CHHN)(SRh)(H)2	H(CCHN)	C(CHHS)(NRhH)(H)2	C(CHHN)(SRh)(H)2	H(CCHN)	109.3560	0.622	2	109.3560	0.387	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NSS)(H)2	C(CHHN)(SN)(H)2	H(CCHN)	C(CHHS)(NSS)(H)2	C(CHHN)(SN)(H)2	H(CCHN)	106.5750	0.198	2	106.5750	0.039	2	109.0756	1.328	166	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OBaC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OBaC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	108.6000	0.027	2	108.6000	0.001	2	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OBaH)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OBaH)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.5588	0.349	4	109.5588	0.122	4	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OBe2)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OBe2)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	108.9183	0.042	4	108.9183	0.002	4	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OBeC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OBeC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.7862	0.037	4	109.7862	0.001	4	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OCaC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OCaC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.3210	0.503	4	109.3210	0.253	4	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OCaC)(H)2	C(CHHO)(OCa)(H)2	H(CCHO)	C(CHHO)(OCaC)(H)2	C(CHHO)(OCa)(H)2	H(CCHO)	113.2915	3.144	4	113.2915	9.883	4	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OCu2)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	C(CHHO)(OCu2)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	109.3165	0.163	8	109.3165	0.026	8	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OFeC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OFeC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.9355	0.042	2	109.9355	0.002	2	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OIrC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OIrC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	108.6353	0.040	3	108.6353	0.002	3	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OLiC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OLiC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.2956	0.305	16	109.2956	0.093	16	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OMgC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OMgC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	108.9100	0.000	1	108.9100	0.000	1	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OMnC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OMnC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	109.2031	0.181	8	109.2031	0.033	8	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(ONiH)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	C(CHHO)(ONiH)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	109.6197	0.115	4	109.6197	0.013	4	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OOs2)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	C(CHHO)(OOs2)(H)2	C(CHHO)(OH)(H)2	H(CCHO)	109.2265	0.546	4	109.2265	0.298	4	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(OZnC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	C(CHHO)(OZnC)(H)2	C(CHHO)(OC)(H)2	H(CCHO)	108.3825	0.016	2	108.3825	0.000	2	109.4918	1.477	70	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(OCoC)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	C(CHHS)(OCoC)(H)2	C(CHHO)(SC)(H)2	H(CCHO)	109.3703	0.011	3	109.3703	0.000	3	109.7053	0.100	7	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(ORuC)(H)2	C(CHHO)(SRu)(H)2	H(CCHO)	C(CHHS)(ORuC)(H)2	C(CHHO)(SRu)(H)2	H(CCHO)	109.9565	0.058	4	109.9565	0.003	4	109.7053	0.100	7	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:P-2:H-1:H-1:	C-4:	C(CHHP)(PHH)(H)2	C(CHHP)(PZr)(H)2	H(CCHP)	C(CHHP)(PHH)(H)2	C(CHHP)(PZr)(H)2	H(CCHP)	107.9840	0.016	2	107.9840	0.000	2	107.9840	0.000	2	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(SIr2)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	C(CCHH)(SIr2)(H)2	C(CHHS)(CN)(H)2	H(CCHS)	108.1148	0.465	4	108.1148	0.216	4	108.1148	0.216	4	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SAgC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SAgC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.6968	0.096	4	108.6968	0.009	4	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SCN)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SCN)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.3940	0.539	24	109.3940	0.290	24	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SCO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SCO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.7917	0.120	3	109.7917	0.014	3	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SCO)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(CHHO)(SCO)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	111.1015	0.959	4	111.1015	0.919	4	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SCoC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SCoC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.3227	0.029	4	109.3227	0.001	4	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SCuC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SCuC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.3400	1.250	20	109.3400	1.563	20	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SFe2)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SFe2)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.1932	0.491	26	109.1932	0.242	26	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SFe2)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(CHHO)(SFe2)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	109.7430	0.000	1	109.7430	0.000	1	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SFe2)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	C(CHHO)(SFe2)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	108.4416	0.155	8	108.4416	0.024	8	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SHgC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SHgC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.8910	0.048	4	108.8910	0.002	4	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SMo2)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(CHHO)(SMo2)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	109.2120	0.049	2	109.2120	0.002	2	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SNiC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SNiC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.6361	0.134	7	108.6361	0.018	7	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SPdC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SPdC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.3857	0.425	317	108.3857	0.181	317	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SPdC)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(CHHO)(SPdC)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	108.9253	0.019	4	108.9253	0.000	4	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SPtC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SPtC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	108.0547	0.421	7	108.0547	0.178	7	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SPtC)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	C(CHHO)(SPtC)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	108.7938	0.149	4	108.7938	0.022	4	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SRuC)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(CHHO)(SRuC)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	108.9725	0.053	2	108.9725	0.003	2	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SRuC)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	C(CHHO)(SRuC)(H)2	C(CHHS)(OP)(H)2	H(CCHS)	108.6097	0.267	6	108.6097	0.071	6	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SSnC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(CHHO)(SSnC)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	109.1479	0.607	7	109.1479	0.368	7	108.6080	0.431	454	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SCH)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SCH)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	108.9608	0.432	4	108.9608	0.187	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SCN)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SCN)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	108.2313	0.508	4	108.2313	0.258	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SCoC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SCoC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	108.7335	1.001	4	108.7335	1.001	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SCoC)(H)2	C(CHHS)(SCo)(H)2	H(CCHS)	C(CHHS)(SCoC)(H)2	C(CHHS)(SCo)(H)2	H(CCHS)	109.6343	0.147	4	109.6343	0.022	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SCuC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SCuC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	107.7310	0.013	2	107.7310	0.000	2	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SFe2)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SFe2)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	109.9552	0.087	6	109.9552	0.008	6	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SFeC)(H)2	C(CHHS)(SFe)(H)2	H(CCHS)	C(CHHS)(SFeC)(H)2	C(CHHS)(SFe)(H)2	H(CCHS)	109.1371	0.409	12	109.1371	0.167	12	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SGeC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SGeC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	108.9112	0.057	4	108.9112	0.003	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SMnC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SMnC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	109.2431	0.462	7	109.2431	0.213	7	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SMo2)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SMo2)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	107.8935	0.018	2	107.8935	0.000	2	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SMo2)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	C(CHHS)(SMo2)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	110.1262	0.076	4	110.1262	0.006	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SMoC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SMoC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	109.3157	2.455	6	109.3157	6.029	6	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SMoC)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	C(CHHS)(SMoC)(H)2	C(CHHS)(SMo)(H)2	H(CCHS)	109.1455	0.621	4	109.1455	0.385	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SNi2)(H)2	C(CHHS)(SNi)(H)2	H(CCHS)	C(CHHS)(SNi2)(H)2	C(CHHS)(SNi)(H)2	H(CCHS)	110.3762	0.087	4	110.3762	0.008	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SNiC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SNiC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	109.9500	0.000	1	109.9500	0.000	1	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SNiC)(H)2	C(CHHS)(SNi)(H)2	H(CCHS)	C(CHHS)(SNiC)(H)2	C(CHHS)(SNi)(H)2	H(CCHS)	110.5030	0.008	2	110.5030	0.000	2	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SPdC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SPdC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	107.8750	0.355	4	107.8750	0.126	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SPtC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SPtC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	108.8080	0.157	4	108.8080	0.025	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SRe2)(H)2	C(CHHS)(SRe)(H)2	H(CCHS)	C(CHHS)(SRe2)(H)2	C(CHHS)(SRe)(H)2	H(CCHS)	109.9839	0.186	8	109.9839	0.034	8	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SReC)(H)2	C(CHHS)(SRe)(H)2	H(CCHS)	C(CHHS)(SReC)(H)2	C(CHHS)(SRe)(H)2	H(CCHS)	110.3232	1.195	55	110.3232	1.429	55	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SRuC)(H)2	C(CHHS)(SRu)(H)2	H(CCHS)	C(CHHS)(SRuC)(H)2	C(CHHS)(SRu)(H)2	H(CCHS)	109.5539	0.608	12	109.5539	0.370	12	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SSeC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	C(CHHS)(SSeC)(H)2	C(CHHS)(SC)(H)2	H(CCHS)	108.9440	0.051	2	108.9440	0.003	2	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(STcC)(H)2	C(CHHS)(STc)(H)2	H(CCHS)	C(CHHS)(STcC)(H)2	C(CHHS)(STc)(H)2	H(CCHS)	113.9068	4.759	4	113.9068	22.649	4	109.7559	2.165	159	109.0915	0.955	2312	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(NCC)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	C(CHOO)(NCC)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	109.1670	0.558	4	109.1670	0.311	4	109.2102	0.107	26	109.2102	0.107	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	C(CHOO)(NCH)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	109.2381	0.156	16	109.2381	0.024	16	109.2102	0.107	26	109.2102	0.107	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(NCS)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	C(CHOO)(NCS)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	108.4925	0.030	2	108.4925	0.001	2	109.2102	0.107	26	109.2102	0.107	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(NHP)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	C(CHOO)(NHP)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	109.5005	0.018	4	109.5005	0.000	4	109.2102	0.107	26	109.2102	0.107	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	H(CCCH)	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.5792	0.815	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:	C(CC[5]HO)(COO)(H)2	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	H(CCCH)	C(CC[5]HO)(COO)(H)2	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	H(CCCH)	108.4913	1.108	4	108.4913	1.227	4	108.4913	1.227	4	108.5792	0.815	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:2:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(CCHS)(NHS)(H)2	C(CC[6a]2H)(SC[6a])(CHHN)(H)	H(CCHN)	C(CCHS)(NHS)(H)2	C(CC[6a]2H)(SC[6a])(CHHN)(H)	H(CCHN)	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	108.5792	0.815	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(CCH)(Br)(H)	C(CBrCH)(CCO)(Br)(H)	H(CBrCC)	C(CBrCH)(CCH)(Br)(H)	C(CBrCH)(CCO)(Br)(H)	H(CBrCC)	109.5600	0.000	1	109.5600	0.000	1	109.5177	0.069	6	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(CCO)(Br)(H)	C(CBrCH)(CCH)(Br)(H)	H(CBrCC)	C(CBrCH)(CCO)(Br)(H)	C(CBrCH)(CCH)(Br)(H)	H(CBrCC)	109.1040	0.000	1	109.1040	0.000	1	109.5177	0.069	6	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(COO)(Br)(H)	C(CBrCH)(COO)(Br)(H)	H(CBrCC)	C(CBrCH)(COO)(Br)(H)	C(CBrCH)(COO)(Br)(H)	H(CBrCC)	109.6105	0.216	4	109.6105	0.046	4	109.5177	0.069	6	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(Br)(H)	C(CBrCH)(COO)(H)2	H(CBrCC)	C(CCHH)(COO)(Br)(H)	C(CBrCH)(COO)(H)2	H(CBrCC)	109.3337	0.793	4	109.3337	0.628	4	109.3337	0.628	4	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(Cl)(H)	C(CClCH)(COO)(H)2	H(CClCC)	C(CCHH)(CNO)(Cl)(H)	C(CClCH)(COO)(H)2	H(CClCC)	109.7600	0.588	2	109.7600	0.346	2	109.4568	0.524	5	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(Cl)(H)	C(CClCH)(COO)(H)2	H(CClCC)	C(CCHH)(COO)(Cl)(H)	C(CClCH)(COO)(H)2	H(CClCC)	109.2547	0.850	3	109.2547	0.723	3	109.4568	0.524	5	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(COO)(H)2	C(CCHH)(COO)(Br)(H)	H(CCCH)	C(CBrCH)(COO)(H)2	C(CCHH)(COO)(Br)(H)	H(CCCH)	109.0206	0.092	7	109.0206	0.008	7	109.0206	0.008	7	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(COO)(H)2	C(CCHH)(CNO)(Cl)(H)	H(CCCH)	C(CClCH)(COO)(H)2	C(CCHH)(CNO)(Cl)(H)	H(CCCH)	109.3192	0.201	4	109.3192	0.041	4	109.1394	0.056	9	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(COO)(H)2	C(CCHH)(COO)(Cl)(H)	H(CCCH)	C(CClCH)(COO)(H)2	C(CCHH)(COO)(Cl)(H)	H(CCCH)	108.9956	0.151	5	108.9956	0.023	5	109.1394	0.056	9	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(CCFF)(CCC)(H)2	C(CCHH)(COO)(F)2	H(CCCH)	C(CCFF)(CCC)(H)2	C(CCHH)(COO)(F)2	H(CCCH)	108.8267	0.087	6	108.8267	0.008	6	108.8267	0.008	6	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CBrC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CBrC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	111.1435	0.832	2	111.1435	0.693	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.7848	0.636	10	108.7848	0.405	10	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.9004	0.516	104	108.9004	0.266	104	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.6075	0.598	17	108.6075	0.358	17	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.3875	0.040	2	108.3875	0.002	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CBrC)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CBrC)(H)2	H(CCCH)	108.9825	4.133	2	108.9825	17.082	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	109.1629	0.485	101	109.1629	0.235	101	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.2000	2.057	53	109.2000	4.233	53	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.5837	0.497	12	108.5837	0.247	12	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	106.9765	0.032	2	106.9765	0.001	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.0115	0.374	30	109.0115	0.140	30	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.2111	0.422	41	109.2111	0.178	41	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCN)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	C(CCHH)(CCN)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	108.4730	0.984	4	108.4730	0.969	4	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCN)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCN)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0404	1.115	16	109.0404	1.244	16	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	109.1825	1.052	18	109.1825	1.106	18	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.4131	0.773	14	109.4131	0.597	14	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.8167	0.266	10	108.8167	0.071	10	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.6542	0.436	30	108.6542	0.190	30	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	109.8345	1.972	30	109.8345	3.889	30	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	112.5896	11.009	4	112.5896	121.189	4	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.1490	0.072	3	109.1490	0.005	3	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHN)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)(CHN)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	114.0032	6.334	4	114.0032	40.115	4	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHP)(H)2	C(CCHH)(CHP)(H)2	H(CCCH)	C(CCHH)(CHP)(H)2	C(CCHH)(CHP)(H)2	H(CCCH)	108.0222	0.068	4	108.0222	0.005	4	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CIrC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CIrC)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.5030	0.007	2	108.5030	0.000	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CIrC)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	C(CCHH)(CIrC)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	108.4528	0.548	46	108.4528	0.300	46	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.2884	0.705	30	109.2884	0.496	30	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.9203	0.452	66	108.9203	0.204	66	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.3290	0.718	122	109.3290	0.516	122	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNS)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CNS)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.8035	0.062	2	108.8035	0.004	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.9355	0.039	2	108.9355	0.002	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.5023	0.830	46	109.5023	0.690	46	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	109.8305	1.618	15	109.8305	2.618	15	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.9721	0.437	27	108.9721	0.191	27	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	108.4835	0.050	4	108.4835	0.002	4	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.3600	1.278	125	109.3600	1.632	125	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CNS)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CNS)(H)2	H(CCCH)	109.2380	0.004	2	109.2380	0.000	2	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.1912	1.170	631	109.1912	1.369	631	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CRhC)(H)2	C(CCHH)(CRhC)(H)2	H(CCCH)	C(CCHH)(CRhC)(H)2	C(CCHH)(CRhC)(H)2	H(CCCH)	108.7413	0.262	7	108.7413	0.069	7	109.1684	1.505	1640	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.7124	0.544	13	108.7124	0.295	13	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.8696	1.437	5	108.8696	2.064	5	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.3305	0.009	2	109.3305	0.000	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	108.5310	0.016	2	108.5310	0.000	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	109.0540	0.027	4	109.0540	0.001	4	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CCO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CCO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.1995	0.194	2	109.1995	0.038	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHH)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CHH)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	110.9150	0.041	2	110.9150	0.002	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHH)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CHHN)(CHH)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	110.4330	0.119	2	110.4330	0.014	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	110.6695	0.040	2	110.6695	0.002	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CHHN)(CHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	109.3855	11.754	2	109.3855	138.162	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.8568	1.066	36	108.8568	1.136	36	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.4003	0.936	33	109.4003	0.876	33	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NCN)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NCN)(H)2	H(CCCH)	108.4520	1.093	5	108.4520	1.194	5	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NCO)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NCO)(H)2	H(CCCH)	109.8140	0.098	4	109.8140	0.010	4	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	109.0905	0.025	2	109.0905	0.001	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.3842	1.415	6	109.3842	2.002	6	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.1217	1.292	65	109.1217	1.669	65	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.1975	0.035	2	109.1975	0.001	2	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	109.2200	0.409	3	109.2200	0.167	3	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	109.5805	1.724	6	109.5805	2.973	6	109.1528	1.947	198	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CHS)(H)2	C(CCHH)(SRu2)(H)2	H(CCCH)	C(CHHS)(CHS)(H)2	C(CCHH)(SRu2)(H)2	H(CCCH)	108.4915	0.030	2	108.4915	0.001	2	108.8741	0.210	15	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CNO)(H)2	C(CCHH)(SNi2)(H)2	H(CCCH)	C(CHHS)(CNO)(H)2	C(CCHH)(SNi2)(H)2	H(CCCH)	108.6915	0.425	8	108.6915	0.181	8	108.8741	0.210	15	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(CCHH)(SCC)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(CCHH)(SCC)(H)2	H(CCCH)	109.3260	0.031	2	109.3260	0.001	2	108.8741	0.210	15	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	109.3147	0.253	3	109.3147	0.064	3	108.8741	0.210	15	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:C-3:H-1:O-1:	C-4:C-3:H-1:O-1:	C-4:	C(CCHO)(COO)(H)(O)	C(CCHO)(COO)(H)(O)	H(CCCO)	C(CCHO)(COO)(H)(O)	C(CCHO)(COO)(H)(O)	H(CCCO)	108.7557	1.079	7	108.7557	1.164	7	108.7557	1.164	7	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.0154	0.510	13	109.0154	0.260	13	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CCO)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CCO)(H)2	H(CCHN)	108.8057	0.334	3	108.8057	0.112	3	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	111.3065	0.166	2	111.3065	0.028	2	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	109.1100	0.038	2	109.1100	0.001	2	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.9823	0.408	37	108.9823	0.166	37	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.3672	0.801	5	109.3672	0.642	5	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.5976	0.424	5	109.5976	0.180	5	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.9992	0.924	33	108.9992	0.853	33	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.2555	0.804	64	109.2555	0.646	64	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NCN)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	109.1808	0.146	6	109.1808	0.021	6	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCO)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NCO)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.9883	0.084	3	108.9883	0.007	3	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.4870	0.000	1	109.4870	0.000	1	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.3925	0.006	2	109.3925	0.000	2	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.5995	0.018	2	109.5995	0.000	2	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	107.9505	0.091	2	107.9505	0.008	2	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.4585	0.100	4	109.4585	0.010	4	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	107.5445	2.705	2	107.5445	7.315	2	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.6008	2.101	6	109.6008	4.412	6	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NHS)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NHS)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	109.8000	0.006	2	109.8000	0.000	2	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NPdC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NPdC)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.5330	0.302	3	109.5330	0.091	3	109.1629	0.692	197	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NAlC)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	C(CHHN)(NAlC)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	110.3826	0.336	50	110.3826	0.113	50	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NAlC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NAlC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.0483	0.120	6	109.0483	0.014	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NAlC)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NAlC)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.7962	0.403	4	108.7962	0.163	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NBeC)(H)2	C(CHHN)(NBeC)(H)2	H(CCHN)	C(CHHN)(NBeC)(H)2	C(CHHN)(NBeC)(H)2	H(CCHN)	108.6993	0.639	4	108.6993	0.408	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	109.2352	0.239	6	109.2352	0.057	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.9585	0.865	929	108.9585	0.748	929	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.9879	0.999	536	108.9879	0.998	536	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	109.4859	1.233	172	109.4859	1.519	172	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCW)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCW)(H)2	H(CCHN)	109.3184	0.534	5	109.3184	0.285	5	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	109.1924	1.457	33	109.1924	2.123	33	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	109.3650	0.375	8	109.3650	0.141	8	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	108.8103	0.720	276	108.8103	0.518	276	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NGaS)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NGaS)(H)2	H(CCHN)	110.0305	0.023	2	110.0305	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NGeC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NGeC)(H)2	H(CCHN)	109.3545	4.268	6	109.3545	18.214	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	108.9311	0.170	20	108.9311	0.029	20	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	108.7578	0.750	21	108.7578	0.562	21	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NInS)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NInS)(H)2	H(CCHN)	109.0888	0.613	8	109.0888	0.375	8	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	108.7703	2.154	6	108.7703	4.638	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	109.4902	0.549	30	109.4902	0.301	30	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NMoC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NMoC)(H)2	H(CCHN)	109.2280	0.037	2	109.2280	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	108.8709	1.078	29	108.8709	1.163	29	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NPP)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NPP)(H)2	H(CCHN)	109.6715	0.015	2	109.6715	0.000	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NPtC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NPtC)(H)2	H(CCHN)	109.3000	0.027	2	109.3000	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	104.5585	1.370	2	104.5585	1.876	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NScC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NScC)(H)2	H(CCHN)	109.6920	0.376	4	109.6920	0.142	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NSi2)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NSi2)(H)2	H(CCHN)	109.6262	0.086	6	109.6262	0.007	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NSnC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NSnC)(H)2	H(CCHN)	109.1337	0.247	3	109.1337	0.061	3	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	109.2601	0.468	63	109.2601	0.219	63	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	108.5898	0.175	4	108.5898	0.031	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.4647	0.844	543	109.4647	0.713	543	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.2448	0.771	512	109.2448	0.594	512	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	108.8713	0.235	3	108.8713	0.055	3	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	108.8419	2.027	14	108.8419	4.109	14	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	109.1483	0.011	3	109.1483	0.000	3	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCN)(H)2	C(CHHN)(NCN)(H)2	H(CCHN)	C(CHHN)(NCN)(H)2	C(CHHN)(NCN)(H)2	H(CCHN)	109.2450	0.035	4	109.2450	0.001	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.1786	1.042	166	109.1786	1.085	166	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	C(CHHN)(NCP)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	108.5644	0.946	14	108.5644	0.895	14	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCP)(H)2	C(CHHN)(NSiC)(H)2	H(CCHN)	C(CHHN)(NCP)(H)2	C(CHHN)(NSiC)(H)2	H(CCHN)	108.1213	0.094	4	108.1213	0.009	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NCS)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.1360	0.507	3	109.1360	0.257	3	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	C(CHHN)(NCS)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	109.2336	1.281	42	109.2336	1.640	42	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCV)(H)2	C(CHHN)(NCV)(H)2	H(CCHN)	C(CHHN)(NCV)(H)2	C(CHHN)(NCV)(H)2	H(CCHN)	109.5950	0.004	2	109.5950	0.000	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCW)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCW)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.6523	0.266	6	109.6523	0.070	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCW)(H)2	C(CHHN)(NCW)(H)2	H(CCHN)	C(CHHN)(NCW)(H)2	C(CHHN)(NCW)(H)2	H(CCHN)	110.3545	0.026	2	110.3545	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCdC)(H)2	C(CHHN)(NCdH)(H)2	H(CCHN)	C(CHHN)(NCdC)(H)2	C(CHHN)(NCdH)(H)2	H(CCHN)	109.6670	0.000	1	109.6670	0.000	1	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCdH)(H)2	C(CHHN)(NCdC)(H)2	H(CCHN)	C(CHHN)(NCdH)(H)2	C(CHHN)(NCdC)(H)2	H(CCHN)	109.8430	0.023	2	109.8430	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCdH)(H)2	C(CHHN)(NCdH)(H)2	H(CCHN)	C(CHHN)(NCdH)(H)2	C(CHHN)(NCdH)(H)2	H(CCHN)	109.4222	0.072	4	109.4222	0.005	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCoC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCoC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5655	1.960	33	109.5655	3.841	33	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCoC)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	C(CHHN)(NCoC)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	110.3827	1.699	171	110.3827	2.888	171	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCrC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCrC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	110.0524	0.663	8	110.0524	0.439	8	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCrC)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	C(CHHN)(NCrC)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	110.0749	1.089	19	110.0749	1.185	19	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCuC)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	C(CHHN)(NCuC)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	109.8779	0.687	252	109.8779	0.471	252	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCuC)(H)2	C(CHHN)(NCuH)(H)2	H(CCHN)	C(CHHN)(NCuC)(H)2	C(CHHN)(NCuH)(H)2	H(CCHN)	110.2320	0.025	2	110.2320	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCuH)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	C(CHHN)(NCuH)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	109.9030	0.045	2	109.9030	0.002	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NEuC)(H)2	C(CHHN)(NEuC)(H)2	H(CCHN)	C(CHHN)(NEuC)(H)2	C(CHHN)(NEuC)(H)2	H(CCHN)	110.2520	0.437	4	110.2520	0.191	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NFeC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NFeC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5380	0.583	274	109.5380	0.340	274	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NFeC)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	C(CHHN)(NFeC)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	110.1552	0.273	96	110.1552	0.075	96	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NFeP)(H)2	C(CHHN)(NFeP)(H)2	H(CCHN)	C(CHHN)(NFeP)(H)2	C(CHHN)(NFeP)(H)2	H(CCHN)	110.0037	0.107	14	110.0037	0.012	14	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NGaS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NGaS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.6330	0.000	1	109.6330	0.000	1	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NGeC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NGeC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.3638	4.469	6	108.3638	19.975	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.0681	0.420	21	109.0681	0.177	21	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.6099	0.637	13	109.6099	0.406	13	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	108.8118	1.683	169	108.8118	2.833	169	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	109.0310	0.786	8	109.0310	0.618	8	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	C(CHHN)(NHP)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	109.2313	0.360	12	109.2313	0.129	12	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NHS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3794	0.846	21	109.3794	0.715	21	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHS)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NHS)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.7690	0.248	4	109.7690	0.062	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHS)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NHS)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.0055	0.414	6	109.0055	0.172	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHS)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	C(CHHN)(NHS)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	109.4642	0.046	4	109.4642	0.002	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHgC)(H)2	C(CHHN)(NHgC)(H)2	H(CCHN)	C(CHHN)(NHgC)(H)2	C(CHHN)(NHgC)(H)2	H(CCHN)	109.4950	0.012	3	109.4950	0.000	3	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NInS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NInS)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5669	0.594	8	109.5669	0.353	8	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NIrC)(H)2	C(CHHN)(NIrC)(H)2	H(CCHN)	C(CHHN)(NIrC)(H)2	C(CHHN)(NIrC)(H)2	H(CCHN)	109.5365	0.042	2	109.5365	0.002	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NLiC)(H)2	C(CHHN)(NLiC)(H)2	H(CCHN)	C(CHHN)(NLiC)(H)2	C(CHHN)(NLiC)(H)2	H(CCHN)	109.5617	0.886	23	109.5617	0.784	23	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMgC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NMgC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	110.1940	0.490	6	110.1940	0.240	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMgC)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	C(CHHN)(NMgC)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	109.3193	0.301	11	109.3193	0.091	11	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMgP)(H)2	C(CHHN)(NMgP)(H)2	H(CCHN)	C(CHHN)(NMgP)(H)2	C(CHHN)(NMgP)(H)2	H(CCHN)	109.8610	0.042	3	109.8610	0.002	3	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMnC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NMnC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.8866	0.697	28	109.8866	0.486	28	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMnC)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	C(CHHN)(NMnC)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	110.1190	0.492	223	110.1190	0.242	223	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMoC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NMoC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5205	0.030	2	109.5205	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMoC)(H)2	C(CHHN)(NMoC)(H)2	H(CCHN)	C(CHHN)(NMoC)(H)2	C(CHHN)(NMoC)(H)2	H(CCHN)	110.1773	0.548	12	110.1773	0.301	12	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.7726	1.232	29	109.7726	1.517	29	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	110.1322	0.634	328	110.1322	0.402	328	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	110.6275	0.028	2	110.6275	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NNiH)(H)2	C(CHHN)(NNiH)(H)2	H(CCHN)	C(CHHN)(NNiH)(H)2	C(CHHN)(NNiH)(H)2	H(CCHN)	109.9655	0.067	2	109.9655	0.005	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NNiP)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(CHHN)(NNiP)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	110.5150	0.006	2	110.5150	0.000	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NNiP)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	C(CHHN)(NNiP)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	110.5032	0.188	8	110.5032	0.035	8	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NOsC)(H)2	C(CHHN)(NOsC)(H)2	H(CCHN)	C(CHHN)(NOsC)(H)2	C(CHHN)(NOsC)(H)2	H(CCHN)	110.0033	0.087	6	110.0033	0.008	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NPP)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NPP)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.8220	0.008	2	108.8220	0.000	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NPdC)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	C(CHHN)(NPdC)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	110.0490	2.069	50	110.0490	4.280	50	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NPtC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NPtC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5605	0.045	2	109.5605	0.002	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NPtC)(H)2	C(CHHN)(NPtC)(H)2	H(CCHN)	C(CHHN)(NPtC)(H)2	C(CHHN)(NPtC)(H)2	H(CCHN)	110.0959	1.603	29	110.0959	2.571	29	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NPtD)(H)2	C(CHHN)(NPtD)(H)2	H(CCHN)	C(CHHN)(NPtD)(H)2	C(CHHN)(NPtD)(H)2	H(CCHN)	110.2970	0.029	4	110.2970	0.001	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NReC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NReC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.4095	1.457	2	109.4095	2.124	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NReC)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	C(CHHN)(NReC)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	110.0793	0.451	37	110.0793	0.203	37	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NReH)(H)2	C(CHHN)(NReH)(H)2	H(CCHN)	C(CHHN)(NReH)(H)2	C(CHHN)(NReH)(H)2	H(CCHN)	109.8205	0.079	4	109.8205	0.006	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NRhC)(H)2	C(CHHN)(NRhC)(H)2	H(CCHN)	C(CHHN)(NRhC)(H)2	C(CHHN)(NRhC)(H)2	H(CCHN)	109.4756	0.716	12	109.4756	0.512	12	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NRhP)(H)2	C(CHHN)(NRhP)(H)2	H(CCHN)	C(CHHN)(NRhP)(H)2	C(CHHN)(NRhP)(H)2	H(CCHN)	110.1347	0.226	8	110.1347	0.051	8	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NRuC)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	C(CHHN)(NRuC)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	109.8300	0.991	29	109.8300	0.983	29	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NScC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NScC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.2135	0.513	4	109.2135	0.263	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NSi2)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NSi2)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3518	0.091	5	109.3518	0.008	5	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NSiC)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	C(CHHN)(NSiC)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	108.2518	0.082	4	108.2518	0.007	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NSiC)(H)2	C(CHHN)(NTiC)(H)2	H(CCHN)	C(CHHN)(NSiC)(H)2	C(CHHN)(NTiC)(H)2	H(CCHN)	108.7785	0.053	2	108.7785	0.003	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NSmC)(H)2	C(CHHN)(NSmC)(H)2	H(CCHN)	C(CHHN)(NSmC)(H)2	C(CHHN)(NSmC)(H)2	H(CCHN)	110.0282	0.528	4	110.0282	0.278	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NSnC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NSnC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.7320	0.025	2	109.7320	0.001	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NSnC)(H)2	C(CHHN)(NSnC)(H)2	H(CCHN)	C(CHHN)(NSnC)(H)2	C(CHHN)(NSnC)(H)2	H(CCHN)	109.3218	1.280	6	109.3218	1.637	6	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NSrP)(H)2	C(CHHN)(NSrP)(H)2	H(CCHN)	C(CHHN)(NSrP)(H)2	C(CHHN)(NSrP)(H)2	H(CCHN)	109.9417	0.126	4	109.9417	0.016	4	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NTiC)(H)2	C(CHHN)(NSiC)(H)2	H(CCHN)	C(CHHN)(NTiC)(H)2	C(CHHN)(NSiC)(H)2	H(CCHN)	108.2965	0.042	2	108.2965	0.002	2	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NTiC)(H)2	C(CHHN)(NTiC)(H)2	H(CCHN)	C(CHHN)(NTiC)(H)2	C(CHHN)(NTiC)(H)2	H(CCHN)	109.8577	0.089	3	109.8577	0.008	3	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.7618	0.448	62	109.7618	0.201	62	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	109.1319	0.981	109	109.1319	0.963	109	109.3929	1.111	5788	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	108.5987	1.103	12	108.5987	1.217	12	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	108.6765	0.539	10	108.6765	0.291	10	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NCdC)(H)2	C(CHHN)(OCdH)(H)2	H(CCHN)	C(CHHO)(NCdC)(H)2	C(CHHN)(OCdH)(H)2	H(CCHN)	109.2635	0.149	2	109.2635	0.022	2	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NFeC)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	C(CHHO)(NFeC)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	110.2423	1.182	35	110.2423	1.396	35	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NFeC)(H)2	C(CHHN)(OFeC)(H)2	H(CCHN)	C(CHHO)(NFeC)(H)2	C(CHHN)(OFeC)(H)2	H(CCHN)	110.3910	0.309	8	110.3910	0.096	8	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NFeC)(H)2	C(CHHN)(OFeH)(H)2	H(CCHN)	C(CHHO)(NFeC)(H)2	C(CHHN)(OFeH)(H)2	H(CCHN)	110.0655	0.005	2	110.0655	0.000	2	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NLiC)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	C(CHHO)(NLiC)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	109.1678	0.973	12	109.1678	0.948	12	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NMgC)(H)2	C(CHHN)(OMgC)(H)2	H(CCHN)	C(CHHO)(NMgC)(H)2	C(CHHN)(OMgC)(H)2	H(CCHN)	110.2840	0.092	2	110.2840	0.008	2	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NMnC)(H)2	C(CHHN)(OMn2)(H)2	H(CCHN)	C(CHHO)(NMnC)(H)2	C(CHHN)(OMn2)(H)2	H(CCHN)	110.3691	0.177	9	110.3691	0.031	9	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NMnC)(H)2	C(CHHN)(OMnC)(H)2	H(CCHN)	C(CHHO)(NMnC)(H)2	C(CHHN)(OMnC)(H)2	H(CCHN)	109.8426	0.088	16	109.8426	0.008	16	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NMnC)(H)2	C(CHHN)(OMnH)(H)2	H(CCHN)	C(CHHO)(NMnC)(H)2	C(CHHN)(OMnH)(H)2	H(CCHN)	110.2127	0.096	4	110.2127	0.009	4	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NNiC)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	C(CHHO)(NNiC)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	109.8300	0.119	8	109.8300	0.014	8	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NPdC)(H)2	C(CHHN)(OPdH)(H)2	H(CCHN)	C(CHHO)(NPdC)(H)2	C(CHHN)(OPdH)(H)2	H(CCHN)	109.5840	0.021	2	109.5840	0.000	2	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NSnC)(H)2	C(CHHN)(OSn2)(H)2	H(CCHN)	C(CHHO)(NSnC)(H)2	C(CHHN)(OSn2)(H)2	H(CCHN)	110.3610	0.120	3	110.3610	0.014	3	109.7707	1.010	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(NSiC)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	C(CHHP)(NSiC)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	108.4935	0.016	2	108.4935	0.000	2	108.4935	0.000	2	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SAgC)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SAgC)(H)2	H(CCHN)	108.7525	0.075	4	108.7525	0.006	4	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	109.1128	0.561	57	109.1128	0.314	57	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	107.6650	0.048	3	107.6650	0.002	3	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	109.3083	0.044	4	109.3083	0.002	4	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(CHHN)(SPt2)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(CHHN)(SPt2)(H)2	H(CCHN)	109.2900	0.036	4	109.2900	0.001	4	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(CHHN)(SPtC)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(CHHN)(SPtC)(H)2	H(CCHN)	109.1470	0.000	1	109.1470	0.000	1	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCuC)(H)2	C(CHHN)(SCu2)(H)2	H(CCHN)	C(CHHS)(NCuC)(H)2	C(CHHN)(SCu2)(H)2	H(CCHN)	106.2435	6.399	2	106.2435	40.942	2	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCuC)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	C(CHHS)(NCuC)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	109.8751	0.071	7	109.8751	0.005	7	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NFeC)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	C(CHHS)(NFeC)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	110.0408	0.060	4	110.0408	0.004	4	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NFeC)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	C(CHHS)(NFeC)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	109.3360	0.041	2	109.3360	0.002	2	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NHH)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	C(CHHS)(NHH)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	108.7827	0.663	3	108.7827	0.439	3	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NHP)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	C(CHHS)(NHP)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	108.9520	0.138	4	108.9520	0.019	4	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NHP)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	C(CHHS)(NHP)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	109.0346	0.093	8	109.0346	0.009	8	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NNiC)(H)2	C(CHHN)(SNi2)(H)2	H(CCHN)	C(CHHS)(NNiC)(H)2	C(CHHN)(SNi2)(H)2	H(CCHN)	109.8596	0.145	22	109.8596	0.021	22	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NPP)(H)2	C(CHHN)(SPtC)(H)2	H(CCHN)	C(CHHS)(NPP)(H)2	C(CHHN)(SPtC)(H)2	H(CCHN)	109.3565	0.036	2	109.3565	0.001	2	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NPdC)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	C(CHHS)(NPdC)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	109.8203	0.338	16	109.8203	0.114	16	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NPdP)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	C(CHHS)(NPdP)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	110.1470	0.013	2	110.1470	0.000	2	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NRhH)(H)2	C(CHHN)(SRhH)(H)2	H(CCHN)	C(CHHS)(NRhH)(H)2	C(CHHN)(SRhH)(H)2	H(CCHN)	116.7050	4.486	2	116.7050	20.123	2	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NTiC)(H)2	C(CHHN)(STiC)(H)2	H(CCHN)	C(CHHS)(NTiC)(H)2	C(CHHN)(STiC)(H)2	H(CCHN)	109.6833	0.068	4	109.6833	0.005	4	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NZnH)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	C(CHHS)(NZnH)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	109.6240	0.000	1	109.6240	0.000	1	109.4123	1.585	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OCdH)(H)2	C(CHHO)(NCdC)(H)2	H(CCHO)	C(CHHN)(OCdH)(H)2	C(CHHO)(NCdC)(H)2	H(CCHO)	108.3195	0.199	2	108.3195	0.039	2	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OFe2)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(OFe2)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.4980	0.992	12	109.4980	0.985	12	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OFe2)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	C(CHHN)(OFe2)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	110.1115	0.899	33	110.1115	0.809	33	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OFeC)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	C(CHHN)(OFeC)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	110.1641	0.201	8	110.1641	0.040	8	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OFeH)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	C(CHHN)(OFeH)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	110.5275	0.030	2	110.5275	0.001	2	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OLiC)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(CHHN)(OLiC)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	109.1735	0.446	11	109.1735	0.199	11	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OLiC)(H)2	C(CHHO)(NLiC)(H)2	H(CCHO)	C(CHHN)(OLiC)(H)2	C(CHHO)(NLiC)(H)2	H(CCHO)	110.8144	2.032	12	110.8144	4.130	12	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OMgC)(H)2	C(CHHO)(NMgC)(H)2	H(CCHO)	C(CHHN)(OMgC)(H)2	C(CHHO)(NMgC)(H)2	H(CCHO)	110.2935	0.009	2	110.2935	0.000	2	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OMn2)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	C(CHHN)(OMn2)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	110.2391	0.184	10	110.2391	0.034	10	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OMnC)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	C(CHHN)(OMnC)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	110.2119	0.159	16	110.2119	0.025	16	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OMnH)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	C(CHHN)(OMnH)(H)2	C(CHHO)(NMnC)(H)2	H(CCHO)	109.9352	0.126	4	109.9352	0.016	4	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(ONiH)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	C(CHHN)(ONiH)(H)2	C(CHHO)(NNiC)(H)2	H(CCHO)	109.8160	0.490	8	109.8160	0.240	8	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OPdH)(H)2	C(CHHO)(NPdC)(H)2	H(CCHO)	C(CHHN)(OPdH)(H)2	C(CHHO)(NPdC)(H)2	H(CCHO)	109.7105	0.026	2	109.7105	0.001	2	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OSn2)(H)2	C(CHHO)(NSnC)(H)2	H(CCHO)	C(CHHN)(OSn2)(H)2	C(CHHO)(NSnC)(H)2	H(CCHO)	110.0283	0.057	3	110.0283	0.003	3	110.0119	0.920	125	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OAl2)(H)2	C(CHHO)(OAl2)(H)2	H(CCHO)	C(CHHO)(OAl2)(H)2	C(CHHO)(OAl2)(H)2	H(CCHO)	110.5245	0.086	8	110.5245	0.007	8	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OAlC)(H)2	C(CHHO)(OAlC)(H)2	H(CCHO)	C(CHHO)(OAlC)(H)2	C(CHHO)(OAlC)(H)2	H(CCHO)	110.5727	0.142	3	110.5727	0.020	3	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OBaC)(H)2	C(CHHO)(OBaC)(H)2	H(CCHO)	C(CHHO)(OBaC)(H)2	C(CHHO)(OBaC)(H)2	H(CCHO)	109.6831	0.838	438	109.6831	0.703	438	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OBaC)(H)2	C(CHHO)(OBaH)(H)2	H(CCHO)	C(CHHO)(OBaC)(H)2	C(CHHO)(OBaH)(H)2	H(CCHO)	109.8113	0.423	11	109.8113	0.179	11	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OBaH)(H)2	C(CHHO)(OBaC)(H)2	H(CCHO)	C(CHHO)(OBaH)(H)2	C(CHHO)(OBaC)(H)2	H(CCHO)	109.5838	0.437	12	109.5838	0.191	12	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OBe2)(H)2	C(CHHO)(OBeC)(H)2	H(CCHO)	C(CHHO)(OBe2)(H)2	C(CHHO)(OBeC)(H)2	H(CCHO)	109.9415	0.507	4	109.9415	0.257	4	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OBeC)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	C(CHHO)(OBeC)(H)2	C(CHHO)(OBe2)(H)2	H(CCHO)	110.3525	0.545	4	110.3525	0.297	4	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCV)(H)2	C(CHHO)(OCV)(H)2	H(CCHO)	C(CHHO)(OCV)(H)2	C(CHHO)(OCV)(H)2	H(CCHO)	110.3047	0.229	4	110.3047	0.052	4	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCW)(H)2	C(CHHO)(OCW)(H)2	H(CCHO)	C(CHHO)(OCW)(H)2	C(CHHO)(OCW)(H)2	H(CCHO)	110.2527	0.151	17	110.2527	0.023	17	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCaC)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	C(CHHO)(OCaC)(H)2	C(CHHO)(OCaC)(H)2	H(CCHO)	110.4663	1.645	213	110.4663	2.707	213	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCdC)(H)2	C(CHHO)(OCdC)(H)2	H(CCHO)	C(CHHO)(OCdC)(H)2	C(CHHO)(OCdC)(H)2	H(CCHO)	109.6331	1.290	39	109.6331	1.665	39	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCoC)(H)2	C(CHHO)(OCoC)(H)2	H(CCHO)	C(CHHO)(OCoC)(H)2	C(CHHO)(OCoC)(H)2	H(CCHO)	110.3053	0.288	30	110.3053	0.083	30	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCoC)(H)2	C(CHHO)(OCoH)(H)2	H(CCHO)	C(CHHO)(OCoC)(H)2	C(CHHO)(OCoH)(H)2	H(CCHO)	110.7050	0.037	2	110.7050	0.001	2	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCoH)(H)2	C(CHHO)(OCoC)(H)2	H(CCHO)	C(CHHO)(OCoH)(H)2	C(CHHO)(OCoC)(H)2	H(CCHO)	110.2765	0.009	2	110.2765	0.000	2	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OCrC)(H)2	C(CHHO)(OCrC)(H)2	H(CCHO)	C(CHHO)(OCrC)(H)2	C(CHHO)(OCrC)(H)2	H(CCHO)	110.1184	0.071	8	110.1184	0.005	8	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OEuC)(H)2	C(CHHO)(OEuC)(H)2	H(CCHO)	C(CHHO)(OEuC)(H)2	C(CHHO)(OEuC)(H)2	H(CCHO)	109.2481	1.132	16	109.2481	1.281	16	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OFeC)(H)2	C(CHHO)(OFeC)(H)2	H(CCHO)	C(CHHO)(OFeC)(H)2	C(CHHO)(OFeC)(H)2	H(CCHO)	110.3355	0.271	101	110.3355	0.074	101	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OLiC)(H)2	C(CHHO)(OLiC)(H)2	H(CCHO)	C(CHHO)(OLiC)(H)2	C(CHHO)(OLiC)(H)2	H(CCHO)	109.9982	0.831	1018	109.9982	0.691	1018	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OMg2)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	C(CHHO)(OMg2)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	106.8325	0.438	2	106.8325	0.192	2	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OMgC)(H)2	C(CHHO)(OMg2)(H)2	H(CCHO)	C(CHHO)(OMgC)(H)2	C(CHHO)(OMg2)(H)2	H(CCHO)	110.2380	0.047	2	110.2380	0.002	2	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OMgC)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	C(CHHO)(OMgC)(H)2	C(CHHO)(OMgC)(H)2	H(CCHO)	110.4690	0.645	143	110.4690	0.417	143	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OMnC)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	C(CHHO)(OMnC)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	110.1840	0.606	285	110.1840	0.367	285	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OMoC)(H)2	C(CHHO)(OMoC)(H)2	H(CCHO)	C(CHHO)(OMoC)(H)2	C(CHHO)(OMoC)(H)2	H(CCHO)	110.3221	0.096	8	110.3221	0.009	8	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(ONiC)(H)2	C(CHHO)(ONiC)(H)2	H(CCHO)	C(CHHO)(ONiC)(H)2	C(CHHO)(ONiC)(H)2	H(CCHO)	110.5393	0.115	4	110.5393	0.013	4	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(ONiC)(H)2	C(CHHO)(ONiH)(H)2	H(CCHO)	C(CHHO)(ONiC)(H)2	C(CHHO)(ONiH)(H)2	H(CCHO)	110.7510	0.000	1	110.7510	0.000	1	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(ONiH)(H)2	C(CHHO)(ONiC)(H)2	H(CCHO)	C(CHHO)(ONiH)(H)2	C(CHHO)(ONiC)(H)2	H(CCHO)	110.3065	0.042	2	110.3065	0.002	2	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(ONiH)(H)2	C(CHHO)(ONiH)(H)2	H(CCHO)	C(CHHO)(ONiH)(H)2	C(CHHO)(ONiH)(H)2	H(CCHO)	110.4850	0.166	3	110.4850	0.028	3	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(ORuH)(H)2	C(CHHO)(ORuH)(H)2	H(CCHO)	C(CHHO)(ORuH)(H)2	C(CHHO)(ORuH)(H)2	H(CCHO)	110.4608	0.321	4	110.4608	0.103	4	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OSmC)(H)2	C(CHHO)(OSmC)(H)2	H(CCHO)	C(CHHO)(OSmC)(H)2	C(CHHO)(OSmC)(H)2	H(CCHO)	110.0388	0.390	44	110.0388	0.152	44	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OSnH)(H)2	C(CHHO)(OSnH)(H)2	H(CCHO)	C(CHHO)(OSnH)(H)2	C(CHHO)(OSnH)(H)2	H(CCHO)	110.1808	0.281	4	110.1808	0.079	4	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OSrC)(H)2	C(CHHO)(OSrC)(H)2	H(CCHO)	C(CHHO)(OSrC)(H)2	C(CHHO)(OSrC)(H)2	H(CCHO)	109.1277	2.491	42	109.1277	6.205	42	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OTaC)(H)2	C(CHHO)(OTaC)(H)2	H(CCHO)	C(CHHO)(OTaC)(H)2	C(CHHO)(OTaC)(H)2	H(CCHO)	108.1500	0.154	3	108.1500	0.024	3	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OTiC)(H)2	C(CHHO)(OTiC)(H)2	H(CCHO)	C(CHHO)(OTiC)(H)2	C(CHHO)(OTiC)(H)2	H(CCHO)	109.6198	0.469	6	109.6198	0.220	6	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OTiC)(H)2	C(CHHO)(OTiH)(H)2	H(CCHO)	C(CHHO)(OTiC)(H)2	C(CHHO)(OTiH)(H)2	H(CCHO)	110.6710	0.010	2	110.6710	0.000	2	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OTiH)(H)2	C(CHHO)(OTiC)(H)2	H(CCHO)	C(CHHO)(OTiH)(H)2	C(CHHO)(OTiC)(H)2	H(CCHO)	110.6480	0.018	2	110.6480	0.000	2	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OZnH)(H)2	C(CHHO)(OZnH)(H)2	H(CCHO)	C(CHHO)(OZnH)(H)2	C(CHHO)(OZnH)(H)2	H(CCHO)	110.1749	0.335	27	110.1749	0.112	27	110.0287	0.934	2514	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OCoC)(H)2	C(CHHO)(SCoC)(H)2	H(CCHO)	C(CHHS)(OCoC)(H)2	C(CHHO)(SCoC)(H)2	H(CCHO)	110.2480	0.054	3	110.2480	0.003	3	109.7707	0.119	32	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OCuC)(H)2	C(CHHO)(SCuC)(H)2	H(CCHO)	C(CHHS)(OCuC)(H)2	C(CHHO)(SCuC)(H)2	H(CCHO)	110.0893	0.079	3	110.0893	0.006	3	109.7707	0.119	32	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(ONiC)(H)2	C(CHHO)(SNiC)(H)2	H(CCHO)	C(CHHS)(ONiC)(H)2	C(CHHO)(SNiC)(H)2	H(CCHO)	109.9380	0.391	8	109.9380	0.153	8	109.7707	0.119	32	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(ORuC)(H)2	C(CHHO)(SRuB)(H)2	H(CCHO)	C(CHHS)(ORuC)(H)2	C(CHHO)(SRuB)(H)2	H(CCHO)	109.4349	0.133	10	109.4349	0.018	10	109.7707	0.119	32	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(OSrC)(H)2	C(CHHO)(SSrC)(H)2	H(CCHO)	C(CHHS)(OSrC)(H)2	C(CHHO)(SSrC)(H)2	H(CCHO)	109.7246	0.104	8	109.7246	0.011	8	109.7707	0.119	32	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(PCC)(H)2	C(CHHP)(NSiC)(H)2	H(CCHP)	C(CHHN)(PCC)(H)2	C(CHHP)(NSiC)(H)2	H(CCHP)	109.0730	0.016	2	109.0730	0.000	2	109.0730	0.000	2	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	108.4370	2.308	13	108.4370	5.326	13	108.4519	2.312	35	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PCP)(H)2	H(CCHP)	C(CHHP)(PCC)(H)2	C(CHHP)(PCP)(H)2	H(CCHP)	109.1125	0.241	4	109.1125	0.058	4	108.4519	2.312	35	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PThC)(H)2	H(CCHP)	C(CHHP)(PCC)(H)2	C(CHHP)(PThC)(H)2	H(CCHP)	108.2974	0.423	7	108.2974	0.179	7	108.4519	2.312	35	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(PCP)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	C(CHHP)(PCP)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	109.2675	0.139	4	109.2675	0.019	4	108.4519	2.312	35	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(PThC)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	C(CHHP)(PThC)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	107.7907	0.978	7	107.7907	0.956	7	108.4519	2.312	35	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SCC)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(CCHH)(SCC)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	108.2840	0.028	2	108.2840	0.001	2	108.7233	0.230	14	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SFe2)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(CCHH)(SFe2)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	109.5510	0.157	3	109.5510	0.025	3	108.7233	0.230	14	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SNi2)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	C(CCHH)(SNi2)(H)2	C(CHHS)(CNO)(H)2	H(CCHS)	108.5743	0.174	7	108.5743	0.030	7	108.7233	0.230	14	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SRu2)(H)2	C(CHHS)(CHS)(H)2	H(CCHS)	C(CCHH)(SRu2)(H)2	C(CHHS)(CHS)(H)2	H(CCHS)	108.4425	0.098	2	108.4425	0.010	2	108.7233	0.230	14	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SAgC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SAgC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.1593	0.449	3	109.1593	0.202	3	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SCu2)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	C(CHHN)(SCu2)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	108.7405	4.389	2	108.7405	19.263	2	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SCuC)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	C(CHHN)(SCuC)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	109.1721	0.269	7	109.1721	0.072	7	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SFe2)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SFe2)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.5754	0.351	56	109.5754	0.123	56	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SFe2)(H)2	C(CHHS)(NFeC)(H)2	H(CCHS)	C(CHHN)(SFe2)(H)2	C(CHHS)(NFeC)(H)2	H(CCHS)	110.3218	0.086	4	110.3218	0.007	4	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SFe2)(H)2	C(CHHS)(NHH)(H)2	H(CCHS)	C(CHHN)(SFe2)(H)2	C(CHHS)(NHH)(H)2	H(CCHS)	109.4760	0.019	3	109.4760	0.000	3	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SFeC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SFeC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.1825	0.236	4	109.1825	0.056	4	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SFeC)(H)2	C(CHHS)(NFeC)(H)2	H(CCHS)	C(CHHN)(SFeC)(H)2	C(CHHS)(NFeC)(H)2	H(CCHS)	108.9820	0.041	2	108.9820	0.002	2	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SNi2)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	C(CHHN)(SNi2)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	109.9590	0.276	25	109.9590	0.076	25	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SNiC)(H)2	C(CHHS)(NHP)(H)2	H(CCHS)	C(CHHN)(SNiC)(H)2	C(CHHS)(NHP)(H)2	H(CCHS)	109.4730	0.229	4	109.4730	0.053	4	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SPdC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SPdC)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	109.6517	0.164	3	109.6517	0.027	3	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SPdC)(H)2	C(CHHS)(NHP)(H)2	H(CCHS)	C(CHHN)(SPdC)(H)2	C(CHHS)(NHP)(H)2	H(CCHS)	109.5494	0.171	7	109.5494	0.029	7	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SPdC)(H)2	C(CHHS)(NPdC)(H)2	H(CCHS)	C(CHHN)(SPdC)(H)2	C(CHHS)(NPdC)(H)2	H(CCHS)	109.2663	0.604	15	109.2663	0.364	15	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SPdC)(H)2	C(CHHS)(NPdP)(H)2	H(CCHS)	C(CHHN)(SPdC)(H)2	C(CHHS)(NPdP)(H)2	H(CCHS)	110.0175	0.026	2	110.0175	0.001	2	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SPt2)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(CHHN)(SPt2)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	109.0370	0.007	4	109.0370	0.000	4	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SPtC)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(CHHN)(SPtC)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	109.4645	0.040	2	109.4645	0.002	2	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SPtC)(H)2	C(CHHS)(NPP)(H)2	H(CCHS)	C(CHHN)(SPtC)(H)2	C(CHHS)(NPP)(H)2	H(CCHS)	109.9050	0.033	2	109.9050	0.001	2	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SRhH)(H)2	C(CHHS)(NRhH)(H)2	H(CCHS)	C(CHHN)(SRhH)(H)2	C(CHHS)(NRhH)(H)2	H(CCHS)	114.8845	2.234	2	114.8845	4.990	2	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(STiC)(H)2	C(CHHS)(NTiC)(H)2	H(CCHS)	C(CHHN)(STiC)(H)2	C(CHHS)(NTiC)(H)2	H(CCHS)	109.4005	0.027	4	109.4005	0.001	4	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SZn2)(H)2	C(CHHS)(NZnH)(H)2	H(CCHS)	C(CHHN)(SZn2)(H)2	C(CHHS)(NZnH)(H)2	H(CCHS)	109.0460	0.000	1	109.0460	0.000	1	109.6237	0.725	152	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(SCoC)(H)2	C(CHHS)(OCoC)(H)2	H(CCHS)	C(CHHO)(SCoC)(H)2	C(CHHS)(OCoC)(H)2	H(CCHS)	108.7687	0.034	4	108.7687	0.001	4	108.9723	0.110	30	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(SCuC)(H)2	C(CHHS)(OCuC)(H)2	H(CCHS)	C(CHHO)(SCuC)(H)2	C(CHHS)(OCuC)(H)2	H(CCHS)	109.0210	0.000	1	109.0210	0.000	1	108.9723	0.110	30	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(SNiC)(H)2	C(CHHS)(ONiC)(H)2	H(CCHS)	C(CHHO)(SNiC)(H)2	C(CHHS)(ONiC)(H)2	H(CCHS)	108.9617	0.308	8	108.9617	0.095	8	108.9723	0.110	30	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(SRuB)(H)2	C(CHHS)(ORuC)(H)2	H(CCHS)	C(CHHO)(SRuB)(H)2	C(CHHS)(ORuC)(H)2	H(CCHS)	108.9345	0.326	11	108.9345	0.106	11	108.9723	0.110	30	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(SSrC)(H)2	C(CHHS)(OSrC)(H)2	H(CCHS)	C(CHHO)(SSrC)(H)2	C(CHHS)(OSrC)(H)2	H(CCHS)	109.1832	0.451	6	109.1832	0.204	6	108.9723	0.110	30	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SAgC)(H)2	C(CHHS)(SAgC)(H)2	H(CCHS)	C(CHHS)(SAgC)(H)2	C(CHHS)(SAgC)(H)2	H(CCHS)	108.5028	0.690	36	108.5028	0.476	36	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SAlC)(H)2	C(CHHS)(SAlC)(H)2	H(CCHS)	C(CHHS)(SAlC)(H)2	C(CHHS)(SAlC)(H)2	H(CCHS)	109.2465	0.446	13	109.2465	0.199	13	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SBiC)(H)2	C(CHHS)(SBiC)(H)2	H(CCHS)	C(CHHS)(SBiC)(H)2	C(CHHS)(SBiC)(H)2	H(CCHS)	108.5419	1.130	7	108.5419	1.276	7	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SCO)(H)2	C(CHHS)(SCO)(H)2	H(CCHS)	C(CHHS)(SCO)(H)2	C(CHHS)(SCO)(H)2	H(CCHS)	109.9276	0.136	5	109.9276	0.018	5	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SCU)(H)2	C(CHHS)(SCU)(H)2	H(CCHS)	C(CHHS)(SCU)(H)2	C(CHHS)(SCU)(H)2	H(CCHS)	109.0747	2.307	25	109.0747	5.324	25	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SCW)(H)2	C(CHHS)(SCW)(H)2	H(CCHS)	C(CHHS)(SCW)(H)2	C(CHHS)(SCW)(H)2	H(CCHS)	109.1460	0.397	8	109.1460	0.157	8	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SCoC)(H)2	C(CHHS)(SCoC)(H)2	H(CCHS)	C(CHHS)(SCoC)(H)2	C(CHHS)(SCoC)(H)2	H(CCHS)	109.1444	0.537	42	109.1444	0.288	42	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SCu2)(H)2	C(CHHS)(SCu2)(H)2	H(CCHS)	C(CHHS)(SCu2)(H)2	C(CHHS)(SCu2)(H)2	H(CCHS)	109.0710	0.132	3	109.0710	0.017	3	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SCuC)(H)2	C(CHHS)(SCuC)(H)2	H(CCHS)	C(CHHS)(SCuC)(H)2	C(CHHS)(SCuC)(H)2	H(CCHS)	109.2462	2.664	86	109.2462	7.098	86	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SFe2)(H)2	C(CHHS)(SFe2)(H)2	H(CCHS)	C(CHHS)(SFe2)(H)2	C(CHHS)(SFe2)(H)2	H(CCHS)	109.5731	1.265	68	109.5731	1.601	68	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SFe2)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	C(CHHS)(SFe2)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	108.5478	0.323	25	108.5478	0.104	25	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SFeC)(H)2	C(CHHS)(SFe2)(H)2	H(CCHS)	C(CHHS)(SFeC)(H)2	C(CHHS)(SFe2)(H)2	H(CCHS)	108.6662	0.924	24	108.6662	0.854	24	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SFeC)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	C(CHHS)(SFeC)(H)2	C(CHHS)(SFeC)(H)2	H(CCHS)	109.2476	0.559	38	109.2476	0.312	38	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SGaC)(H)2	C(CHHS)(SGaC)(H)2	H(CCHS)	C(CHHS)(SGaC)(H)2	C(CHHS)(SGaC)(H)2	H(CCHS)	109.4305	0.032	2	109.4305	0.001	2	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SHfC)(H)2	C(CHHS)(SHfC)(H)2	H(CCHS)	C(CHHS)(SHfC)(H)2	C(CHHS)(SHfC)(H)2	H(CCHS)	109.5190	1.217	4	109.5190	1.482	4	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SHgC)(H)2	C(CHHS)(SHgC)(H)2	H(CCHS)	C(CHHS)(SHgC)(H)2	C(CHHS)(SHgC)(H)2	H(CCHS)	110.3118	2.742	8	110.3118	7.517	8	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SIr2)(H)2	C(CHHS)(SIr2)(H)2	H(CCHS)	C(CHHS)(SIr2)(H)2	C(CHHS)(SIr2)(H)2	H(CCHS)	108.9987	0.026	3	108.9987	0.001	3	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SLaC)(H)2	C(CHHS)(SLaC)(H)2	H(CCHS)	C(CHHS)(SLaC)(H)2	C(CHHS)(SLaC)(H)2	H(CCHS)	106.9402	6.147	12	106.9402	37.786	12	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SMnC)(H)2	C(CHHS)(SMnC)(H)2	H(CCHS)	C(CHHS)(SMnC)(H)2	C(CHHS)(SMnC)(H)2	H(CCHS)	108.8751	0.430	16	108.8751	0.185	16	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SMoC)(H)2	C(CHHS)(SMoC)(H)2	H(CCHS)	C(CHHS)(SMoC)(H)2	C(CHHS)(SMoC)(H)2	H(CCHS)	109.1182	0.690	22	109.1182	0.476	22	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SNi2)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	C(CHHS)(SNi2)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	109.2423	0.390	21	109.2423	0.152	21	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SNi2)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	C(CHHS)(SNi2)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	108.6234	0.234	8	108.6234	0.055	8	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SNiC)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	C(CHHS)(SNiC)(H)2	C(CHHS)(SNi2)(H)2	H(CCHS)	108.4589	0.365	8	108.4589	0.133	8	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SNiC)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	C(CHHS)(SNiC)(H)2	C(CHHS)(SNiC)(H)2	H(CCHS)	108.7204	1.825	88	108.7204	3.332	88	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SPd2)(H)2	C(CHHS)(SPd2)(H)2	H(CCHS)	C(CHHS)(SPd2)(H)2	C(CHHS)(SPd2)(H)2	H(CCHS)	108.6375	0.405	4	108.6375	0.164	4	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SPdC)(H)2	C(CHHS)(SPdC)(H)2	H(CCHS)	C(CHHS)(SPdC)(H)2	C(CHHS)(SPdC)(H)2	H(CCHS)	108.8793	0.501	376	108.8793	0.251	376	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SPtC)(H)2	C(CHHS)(SPtC)(H)2	H(CCHS)	C(CHHS)(SPtC)(H)2	C(CHHS)(SPtC)(H)2	H(CCHS)	109.3408	0.730	18	109.3408	0.534	18	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRe2)(H)2	C(CHHS)(SReC)(H)2	H(CCHS)	C(CHHS)(SRe2)(H)2	C(CHHS)(SReC)(H)2	H(CCHS)	108.4561	0.141	10	108.4561	0.020	10	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SReC)(H)2	C(CHHS)(SRe2)(H)2	H(CCHS)	C(CHHS)(SReC)(H)2	C(CHHS)(SRe2)(H)2	H(CCHS)	108.9105	0.430	11	108.9105	0.185	11	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SReC)(H)2	C(CHHS)(SReC)(H)2	H(CCHS)	C(CHHS)(SReC)(H)2	C(CHHS)(SReC)(H)2	H(CCHS)	108.8677	0.267	10	108.8677	0.071	10	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRhC)(H)2	C(CHHS)(SRhC)(H)2	H(CCHS)	C(CHHS)(SRhC)(H)2	C(CHHS)(SRhC)(H)2	H(CCHS)	111.8639	2.649	7	111.8639	7.019	7	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRu2)(H)2	C(CHHS)(SRu2)(H)2	H(CCHS)	C(CHHS)(SRu2)(H)2	C(CHHS)(SRu2)(H)2	H(CCHS)	108.9480	0.117	10	108.9480	0.014	10	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRu2)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	C(CHHS)(SRu2)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	107.9775	0.119	4	107.9775	0.014	4	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRuC)(H)2	C(CHHS)(SRu2)(H)2	H(CCHS)	C(CHHS)(SRuC)(H)2	C(CHHS)(SRu2)(H)2	H(CCHS)	108.8665	0.071	4	108.8665	0.005	4	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRuC)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	C(CHHS)(SRuC)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	108.9631	0.489	396	108.9631	0.239	396	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRuC)(H)2	C(CHHS)(SRuS)(H)2	H(CCHS)	C(CHHS)(SRuC)(H)2	C(CHHS)(SRuS)(H)2	H(CCHS)	109.5370	0.013	2	109.5370	0.000	2	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SRuS)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	C(CHHS)(SRuS)(H)2	C(CHHS)(SRuC)(H)2	H(CCHS)	109.2975	0.060	2	109.2975	0.004	2	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SSnC)(H)2	C(CHHS)(SSnC)(H)2	H(CCHS)	C(CHHS)(SSnC)(H)2	C(CHHS)(SSnC)(H)2	H(CCHS)	108.5778	0.117	6	108.5778	0.014	6	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(STaC)(H)2	C(CHHS)(STaC)(H)2	H(CCHS)	C(CHHS)(STaC)(H)2	C(CHHS)(STaC)(H)2	H(CCHS)	108.8088	0.127	4	108.8088	0.016	4	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(STc2)(H)2	C(CHHS)(STc2)(H)2	H(CCHS)	C(CHHS)(STc2)(H)2	C(CHHS)(STc2)(H)2	H(CCHS)	108.6635	0.319	2	108.6635	0.102	2	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(STcC)(H)2	C(CHHS)(STcC)(H)2	H(CCHS)	C(CHHS)(STcC)(H)2	C(CHHS)(STcC)(H)2	H(CCHS)	108.9758	1.615	32	108.9758	2.608	32	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(STeC)(H)2	C(CHHS)(STeC)(H)2	H(CCHS)	C(CHHS)(STeC)(H)2	C(CHHS)(STeC)(H)2	H(CCHS)	108.3530	0.124	16	108.3530	0.015	16	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(SZnC)(H)2	C(CHHS)(SZnC)(H)2	H(CCHS)	C(CHHS)(SZnC)(H)2	C(CHHS)(SZnC)(H)2	H(CCHS)	108.4655	0.035	4	108.4655	0.001	4	108.9631	1.498	1490	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:Se-3:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(CSeHH)(SeAlC)(H)2	C(CSeHH)(SeAlC)(H)2	H(CSeCH)	C(CSeHH)(SeAlC)(H)2	C(CSeHH)(SeAlC)(H)2	H(CSeCH)	108.7523	0.148	8	108.7523	0.022	8	108.7613	0.170	20	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:Se-3:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(CSeHH)(SeGaC)(H)2	C(CSeHH)(SeGaC)(H)2	H(CSeCH)	C(CSeHH)(SeGaC)(H)2	C(CSeHH)(SeGaC)(H)2	H(CSeCH)	109.7870	0.021	2	109.7870	0.000	2	108.7613	0.170	20	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:Se-3:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(CSeHH)(SeHfC)(H)2	C(CSeHH)(SeHfC)(H)2	H(CSeCH)	C(CSeHH)(SeHfC)(H)2	C(CSeHH)(SeHfC)(H)2	H(CSeCH)	108.4245	0.149	4	108.4245	0.022	4	108.7613	0.170	20	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:Se-3:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(CSeHH)(SeMoC)(H)2	C(CSeHH)(SeMoC)(H)2	H(CSeCH)	C(CSeHH)(SeMoC)(H)2	C(CSeHH)(SeMoC)(H)2	H(CSeCH)	108.8107	0.181	4	108.8107	0.033	4	108.7613	0.170	20	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:1:1:	4:	C-4:Se-3:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(CSeHH)(SeSnC)(H)2	C(CSeHH)(SeSnC)(H)2	H(CSeCH)	C(CSeHH)(SeSnC)(H)2	C(CSeHH)(SeSnC)(H)2	H(CSeCH)	108.3470	0.010	2	108.3470	0.000	2	108.7613	0.170	20	109.4392	1.288	12575	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CCC)(H)2	C(CCHH)(COO)(NC)(H)	H(CCCH)	C(CCHN)(CCC)(H)2	C(CCHH)(COO)(NC)(H)	H(CCCH)	108.8137	0.340	6	108.8137	0.116	6	109.0013	0.154	9	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(COO)(NS)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(COO)(NS)(H)	H(CCCH)	109.2790	0.000	1	109.2790	0.000	1	109.0013	0.154	9	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CNO)(NC)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CNO)(NC)(H)	H(CCCH)	109.4255	0.076	2	109.4255	0.006	2	109.0013	0.154	9	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CCHO)(CCC)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	108.7680	0.000	1	108.7680	0.000	1	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	C(CCHO)(CCC)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	109.0150	0.391	4	109.0150	0.153	4	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CCHO)(CCC)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	108.9640	0.000	1	108.9640	0.000	1	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	C(CCHO)(CCC)(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	108.6970	0.020	2	108.6970	0.000	2	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	109.4315	0.013	2	109.4315	0.000	2	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	109.4023	0.309	9	109.4023	0.095	9	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CCH)(OSi)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CCH)(OSi)(H)	H(CCCH)	109.5080	0.042	2	109.5080	0.002	2	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CNO)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CNO)(OC)(H)	H(CCCH)	109.4095	0.037	2	109.4095	0.001	2	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(COO)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(COO)(OC)(H)	H(CCCH)	109.3875	0.008	2	109.3875	0.000	2	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	108.6303	0.960	8	108.6303	0.922	8	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	109.0930	0.070	6	109.0930	0.005	6	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	C(CCHO)(CNO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	109.0422	0.068	4	109.0422	0.005	4	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(H)2	C(CCHH)(CNO)(OH)(H)	H(CCCH)	C(CCHO)(CNO)(H)2	C(CCHH)(CNO)(OH)(H)	H(CCCH)	109.5416	0.716	8	109.5416	0.513	8	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	108.9497	0.492	10	108.9497	0.242	10	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	109.0483	0.849	51	109.0483	0.721	51	109.0923	0.499	112	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(CCHS)(CCO)(H)2	C(CCHH)(COO)(SC)(H)	H(CCCH)	C(CCHS)(CCO)(H)2	C(CCHH)(COO)(SC)(H)	H(CCCH)	109.2398	0.355	6	109.2398	0.126	6	109.1063	0.151	8	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(CCHS)(COO)(H)2	C(CCHH)(COO)(SH)(H)	H(CCCH)	C(CCHS)(COO)(H)2	C(CCHH)(COO)(SH)(H)	H(CCCH)	108.7055	0.006	2	108.7055	0.000	2	109.1063	0.151	8	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CCHN)(CCC)(H)2	C(CCHH)(NCH)(CN)(H)	H(CCCH)	C(CCHN)(CCC)(H)2	C(CCHH)(NCH)(CN)(H)	H(CCCH)	109.2940	0.072	3	109.2940	0.005	3	109.1576	0.037	5	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(NHS)(CC)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(NHS)(CC)(H)	H(CCCH)	108.9530	0.004	2	108.9530	0.000	2	109.1576	0.037	5	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:O-2:H-1:	C-4:	C(CHNO)(CCC)(H)2	C(CCHH)(NCH)(OC)(H)	H(CCCH)	C(CHNO)(CCC)(H)2	C(CCHH)(NCH)(OC)(H)	H(CCCH)	109.3295	0.220	4	109.3295	0.049	4	109.3295	0.049	4	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:I-1:	C-4:N-3:O-2:H-1:	C-4:	C(CHNO)(COO)(H)(I)	C(CCHI)(NCS)(OC)(H)	H(CCCI)	C(CHNO)(COO)(H)(I)	C(CCHI)(NCS)(OC)(H)	H(CCCI)	109.6000	0.000	1	109.6000	0.000	1	109.6000	0.000	1	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:O-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(H)(O)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(H)(O)	C(CCHO)(COO)(OH)(H)	H(CCCO)	107.9697	1.311	3	107.9697	1.718	3	107.9697	1.718	3	109.0762	0.467	142	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)(CCH)2(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)(CCH)2(H)	H(CCCH)	109.4485	0.310	4	109.4485	0.096	4	109.1661	0.384	17	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CCH)(COO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CCH)(COO)(H)	H(CCCH)	109.4485	0.052	2	109.4485	0.003	2	109.1661	0.384	17	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	108.9813	1.288	4	108.9813	1.658	4	109.1661	0.384	17	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	109.0535	0.029	2	109.0535	0.001	2	109.1661	0.384	17	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)(CCC)(CCH)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)(CCC)(CCH)(H)	H(CCCH)	109.2060	0.006	2	109.2060	0.000	2	109.1661	0.384	17	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CCC)(COO)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CCC)(COO)(H)	H(CCCH)	108.8525	0.008	2	108.8525	0.000	2	109.1661	0.384	17	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CCO)2(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CCO)2(H)	H(CCCH)	108.9830	0.000	1	108.9830	0.000	1	109.1661	0.384	17	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCC)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(CCC)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	109.4050	8.378	2	109.4050	70.188	2	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCH)(H)2	C(CCHH)(CCH)(NCH)(H)	H(CCCH)	C(CCHN)(CCH)(H)2	C(CCHH)(CCH)(NCH)(H)	H(CCCH)	108.6565	0.035	2	108.6565	0.001	2	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCH)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	C(CCHN)(CCH)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	109.4540	0.006	2	109.4540	0.000	2	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCH)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHN)(CCH)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	108.5465	0.209	4	108.5465	0.044	4	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCH)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(CCH)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.7735	0.423	6	108.7735	0.179	6	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(CCO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.9620	0.020	2	108.9620	0.000	2	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	109.2140	0.048	3	109.2140	0.002	3	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	109.0429	0.489	10	109.0429	0.239	10	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	109.7605	0.154	4	109.7605	0.024	4	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	109.3349	0.176	8	109.3349	0.031	8	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	109.3220	0.007	2	109.3220	0.000	2	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	109.0449	0.804	39	109.0449	0.646	39	109.0830	1.246	84	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(OCoH)(COO)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(OCoH)(COO)(H)	H(CCCH)	108.3855	0.015	2	108.3855	0.000	2	108.7910	0.116	8	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(ONiH)(COO)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(ONiH)(COO)(H)	H(CCCH)	108.5900	0.041	2	108.5900	0.002	2	108.7910	0.116	8	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(OSrH)(COO)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(OSrH)(COO)(H)	H(CCCH)	109.0943	0.107	4	109.0943	0.011	4	108.7910	0.116	8	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:F-1:	C-4:	C(CFNN)(NCH)(H)2	C(CHHN)(NOO)2(F)	H(CCHN)	C(CFNN)(NCH)(H)2	C(CHHN)(NOO)2(F)	H(CCHN)	110.0355	0.037	2	110.0355	0.001	2	110.0355	0.001	2	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:H-1:	C-4:	C(CHNN)(NCN)(H)2	C(CHHN)(NOO)2(H)	H(CCHN)	C(CHNN)(NCN)(H)2	C(CHHN)(NOO)2(H)	H(CCHN)	108.6665	0.005	2	108.6665	0.000	2	108.6665	0.000	2	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SCN)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	C(CCHN)(SCN)(H)2	C(CHHS)(CNO)(NCH)(H)	H(CCHS)	109.1720	0.000	2	109.1720	0.000	2	109.4673	0.055	10	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SCO)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	C(CCHN)(SCO)(H)2	C(CHHS)(COO)(NCH)(H)	H(CCHS)	109.6325	0.122	6	109.6325	0.015	6	109.4673	0.055	10	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(SFe2)(H)2	C(CHHS)(COO)(NCC)(H)	H(CCHS)	C(CCHN)(SFe2)(H)2	C(CHHS)(COO)(NCC)(H)	H(CCHS)	109.2670	0.027	2	109.2670	0.001	2	109.4673	0.055	10	109.1154	0.944	123	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(CCH)(H)2	C(CCHH)(CCO)2(OH)	H(CCCH)	C(CCCO)(CCH)(H)2	C(CCHH)(CCO)2(OH)	H(CCCH)	108.7815	0.033	4	108.7815	0.001	4	108.7815	0.001	4	108.7815	0.001	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CCH)(COO)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CCH)(COO)2	H(CCCH)	107.2575	1.480	2	107.2575	2.190	2	107.2575	2.190	2	109.0559	0.936	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:N-3:	C-4:	C(CCCN)(CCC)(H)2	C(CCHH)(COO)2(NCH)	H(CCCH)	C(CCCN)(CCC)(H)2	C(CCHH)(COO)2(NCH)	H(CCCH)	109.2330	0.023	2	109.2330	0.001	2	109.2330	0.001	2	109.0559	0.936	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:3:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(CN3)(NCH)(H)2	C(CHHN)(NOO)3	H(CCHN)	C(CN3)(NCH)(H)2	C(CHHN)(NOO)3	H(CCHN)	109.4613	0.192	8	109.4613	0.037	8	109.4613	0.037	8	109.0559	0.936	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:3:4:	4:	C-4:C[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]2C[5])(C[5]N[5]2)(H)2	C(C[5]C[5,6]C[5]Li)(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]CH)	C(CC[6a]2C[5])(C[5]N[5]2)(H)2	C(C[5]C[5,6]C[5]Li)(C[6a]C[6a]2)2(CC[5]HH)	H(CC[5]CH)	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CHO)(H)2	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CHO)(H)2	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0090	0.000	1	109.0090	0.000	1	108.9555	0.041	4	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CNO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.7970	0.004	2	108.7970	0.000	2	108.9555	0.041	4	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(COO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.2190	0.000	1	109.2190	0.000	1	108.9555	0.041	4	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	H(CCCH)	109.1770	0.172	4	109.1770	0.029	4	109.1770	0.029	4	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	H(CCCH)	C(CC[5a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	H(CCCH)	109.1225	0.117	2	109.1225	0.014	2	109.1225	0.014	2	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0230	0.016	4	109.0230	0.000	4	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.2228	0.105	4	108.2228	0.011	4	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.6037	0.165	4	109.6037	0.027	4	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.6433	1.500	12	108.6433	2.249	12	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.7360	0.203	4	108.7360	0.041	4	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CCO)(H)2	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.4950	0.017	2	109.4950	0.000	2	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[5a]O)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[5a]O)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.3550	0.000	1	109.3550	0.000	1	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.8227	0.030	4	108.8227	0.001	4	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.6545	0.006	2	108.6545	0.000	2	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.7370	0.000	1	108.7370	0.000	1	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.8360	0.000	1	108.8360	0.000	1	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.9925	0.022	2	108.9925	0.000	2	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.2395	0.015	2	109.2395	0.000	2	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0530	0.025	2	109.0530	0.001	2	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CHO)(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CHO)(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.9705	0.008	2	108.9705	0.000	2	108.8743	0.677	47	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCO)(H)2	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCO)(H)2	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	107.9155	0.023	2	107.9155	0.001	2	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[5a]O)(H)2	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[5a]O)(H)2	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.1320	0.000	1	109.1320	0.000	1	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.8713	0.097	4	108.8713	0.009	4	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.8255	0.008	2	108.8255	0.000	2	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.6830	0.031	2	108.6830	0.001	2	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.9525	0.200	6	108.9525	0.040	6	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(COO)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(COO)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.4805	0.013	2	109.4805	0.000	2	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(COO)(H)2	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(COO)(H)2	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.9080	0.014	2	108.9080	0.000	2	108.8551	0.149	21	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:N-3:C-4:H-1:	C-4:	C(CC[6]HN)(CCH)(H)2	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	H(CCCH)	C(CC[6]HN)(CCH)(H)2	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	H(CCCH)	109.2905	0.022	2	109.2905	0.000	2	109.2905	0.000	2	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:N[5]-3:C-4:H-1:	C-4:	C(CC[6]N[5]H)(CCH)(H)2	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	H(CCCH)	C(CC[6]N[5]H)(CCH)(H)2	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	H(CCCH)	109.0606	0.115	5	109.0606	0.013	5	109.0606	0.013	5	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C-3:H-1:H-1:	P-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[6a]O)(H)2	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[6a]O)(H)2	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0040	0.030	2	109.0040	0.001	2	109.0040	0.001	2	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[4]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[4]H)(C[6a]C[6a]2)(H)2	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	C(CC[6a]C[4]H)(C[6a]C[6a]2)(H)2	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	H(CC[6a]CH)	108.6330	0.041	2	108.6330	0.002	2	108.6330	0.002	2	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	H(CCHN)	109.5205	0.053	2	109.5205	0.003	2	109.5205	0.003	2	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]CH)(NOO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NOO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.8350	0.000	1	109.8350	0.000	1	109.8350	0.000	1	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(NCoC)(H)2	C(CHHN)(NCoC)(CH3)(H)	H(CCHN)	C(CCHN)(NCoC)(H)2	C(CHHN)(NCoC)(CH3)(H)	H(CCHN)	108.7840	0.000	1	108.7840	0.000	1	109.6823	0.153	23	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(NFeC)(H)2	C(CHHN)(NFeC)(CH3)(H)	H(CCHN)	C(CCHN)(NFeC)(H)2	C(CHHN)(NFeC)(CH3)(H)	H(CCHN)	109.8245	0.175	11	109.8245	0.031	11	109.6823	0.153	23	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(NMnC)(H)2	C(CHHN)(NMnC)(CH3)(H)	H(CCHN)	C(CCHN)(NMnC)(H)2	C(CHHN)(NMnC)(CH3)(H)	H(CCHN)	109.4321	0.455	7	109.4321	0.207	7	109.6823	0.153	23	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(NNiC)(H)2	C(CHHN)(NNiC)(CH3)(H)	H(CCHN)	C(CCHN)(NNiC)(H)2	C(CHHN)(NNiC)(CH3)(H)	H(CCHN)	110.0540	0.107	2	110.0540	0.012	2	109.6823	0.153	23	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(NPtC)(H)2	C(CHHN)(NPtC)(CH3)(H)	H(CCHN)	C(CCHN)(NPtC)(H)2	C(CHHN)(NPtC)(CH3)(H)	H(CCHN)	109.8525	0.094	2	109.8525	0.009	2	109.6823	0.153	23	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(NMnC)(H)2	C(CHHN)(OMnH)(CH3)(H)	H(CCHN)	C(CCHO)(NMnC)(H)2	C(CHHN)(OMnH)(CH3)(H)	H(CCHN)	109.8080	0.414	4	109.8080	0.171	4	109.8080	0.171	4	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	H(CCHN)	C(CC[5a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	H(CCHN)	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.4295	0.489	4	109.4295	0.240	4	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.7028	0.453	6	109.7028	0.205	6	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.3918	0.082	5	109.3918	0.007	5	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.2895	0.035	2	109.2895	0.001	2	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	110.0130	0.000	1	110.0130	0.000	1	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.5078	0.131	6	109.5078	0.017	6	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.8853	0.350	6	109.8853	0.123	6	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.4590	0.390	4	109.4590	0.152	4	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	110.5591	1.931	10	110.5591	3.728	10	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.5791	0.482	7	109.5791	0.232	7	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.5940	0.021	2	109.5940	0.000	2	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.2480	0.027	2	109.2480	0.001	2	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NOO)(H)2	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.5730	0.042	2	109.5730	0.002	2	109.7396	0.850	57	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(CC[5]N[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	H(CCHN)	C(CC[5]N[5]H)(NOO)(H)2	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	H(CCHN)	110.3185	0.012	2	110.3185	0.000	2	110.3185	0.000	2	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	H(CCHN)	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	H(CCHN)	109.1740	0.034	2	109.1740	0.001	2	109.1298	0.003	4	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	H(CCHN)	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	H(CCHN)	109.0855	0.018	2	109.0855	0.000	2	109.1298	0.003	4	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.2300	0.037	2	109.2300	0.001	2	109.4780	0.092	18	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.4352	0.311	12	109.4352	0.097	12	109.4780	0.092	18	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NOO)(H)2	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.7305	0.172	4	109.7305	0.030	4	109.4780	0.092	18	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(OAl2)(H)2	C(CHHO)(NAlC)(CC3)(H)	H(CCHO)	C(CCHN)(OAl2)(H)2	C(CHHO)(NAlC)(CC3)(H)	H(CCHO)	110.0630	0.033	2	110.0630	0.001	2	110.0350	0.001	6	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(OFeH)(H)2	C(CHHO)(NFeC)(CC3)(H)	H(CCHO)	C(CCHN)(OFeH)(H)2	C(CHHO)(NFeC)(CC3)(H)	H(CCHO)	110.0210	0.030	4	110.0210	0.001	4	110.0350	0.001	6	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(OAl2)(H)2	C(CHHO)(OAl2)(CH3)(H)	H(CCHO)	C(CCHO)(OAl2)(H)2	C(CHHO)(OAl2)(CH3)(H)	H(CCHO)	110.1610	0.010	2	110.1610	0.000	2	110.1610	0.000	2	109.3617	0.599	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:2:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]C[6]C)(CCH)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	H(CCCH)	C(CC[6a]C[6]C)(CCH)(H)2	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	H(CCCH)	108.9057	0.715	8	108.9057	0.512	8	108.9057	0.512	8	108.9403	0.459	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:2:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:C-4:C-2:	C-4:	C(CCCN)(ONiH)(H)2	C(CHHO)(NNiC)(CH3)(CO)	H(CCHO)	C(CCCN)(ONiH)(H)2	C(CHHO)(NNiC)(CH3)(CO)	H(CCHO)	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	108.9403	0.459	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C[6]-3:C-4:C-3:	C-4:	C(CC[6]CC)(CCC)(H)2	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	H(CCCH)	C(CC[6]CC)(CCC)(H)2	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	H(CCCH)	102.6190	2.478	2	102.6190	6.139	2	102.6190	6.139	2	107.3932	9.516	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]C[5]C)(CCC)(H)2	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	H(CCCH)	C(CC[6a]C[5]C)(CCC)(H)2	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	H(CCCH)	108.7340	0.007	2	108.7340	0.000	2	108.5867	3.217	8	107.3932	9.516	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	H(CCCH)	C(CC[6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	H(CCCH)	108.2230	0.007	2	108.2230	0.000	2	108.5867	3.217	8	107.3932	9.516	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:3:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	H(CCCH)	C(CC[6a]C[5]C)(CCH)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	H(CCCH)	108.6950	2.718	4	108.6950	7.388	4	108.5867	3.217	8	107.3932	9.516	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]CC)(CNO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CC)(CNO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	H(CCCH)	108.5125	0.022	2	108.5125	0.000	2	108.5125	0.000	2	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(CCHH)(NCuC)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(CCHH)(NCuC)(CH3)2	H(CCCH)	107.0880	0.255	10	107.0880	0.065	10	107.2173	0.234	18	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(CCHH)(NNiC)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(CCHH)(NNiC)(CH3)2	H(CCCH)	107.6698	0.446	6	107.6698	0.199	6	107.2173	0.234	18	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(CCHH)(NZnC)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(CCHH)(NZnC)(CH3)2	H(CCCH)	106.5065	0.039	2	106.5065	0.002	2	107.2173	0.234	18	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(CCN)(H)2	C(CCHH)(OZn2)(CF3)2	H(CCCH)	C(CCCO)(CCN)(H)2	C(CCHH)(OZn2)(CF3)2	H(CCCH)	108.3480	0.008	2	108.3480	0.000	2	108.4428	0.012	4	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(CCO)(H)2	C(CCHH)(ORhH)(CH3)2	H(CCCH)	C(CCCO)(CCO)(H)2	C(CCHH)(ORhH)(CH3)2	H(CCCH)	108.5375	0.025	2	108.5375	0.001	2	108.4428	0.012	4	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(NAlC)(H)2	C(CHHN)(NAlC)(CH3)2	H(CCHN)	C(CCCN)(NAlC)(H)2	C(CHHN)(NAlC)(CH3)2	H(CCHN)	109.8970	0.025	3	109.8970	0.001	3	109.8979	0.087	32	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(NCoC)(H)2	C(CHHN)(NCoC)(CH3)2	H(CCHN)	C(CCCN)(NCoC)(H)2	C(CHHN)(NCoC)(CH3)2	H(CCHN)	109.7815	0.060	2	109.7815	0.004	2	109.8979	0.087	32	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(NCuC)(H)2	C(CHHN)(NCuC)(CH3)2	H(CCHN)	C(CCCN)(NCuC)(H)2	C(CHHN)(NCuC)(CH3)2	H(CCHN)	109.6157	0.102	4	109.6157	0.010	4	109.8979	0.087	32	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(NFeC)(H)2	C(CHHN)(NFeC)(CH3)2	H(CCHN)	C(CCCN)(NFeC)(H)2	C(CHHN)(NFeC)(CH3)2	H(CCHN)	109.2210	0.354	2	109.2210	0.125	2	109.8979	0.087	32	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(NMnC)(H)2	C(CHHN)(NMnC)(CH3)2	H(CCHN)	C(CCCN)(NMnC)(H)2	C(CHHN)(NMnC)(CH3)2	H(CCHN)	110.1880	0.042	2	110.1880	0.002	2	109.8979	0.087	32	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(NNiC)(H)2	C(CHHN)(NNiC)(CH3)2	H(CCHN)	C(CCCN)(NNiC)(H)2	C(CHHN)(NNiC)(CH3)2	H(CCHN)	110.0329	0.166	16	110.0329	0.027	16	109.8979	0.087	32	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(NReC)(H)2	C(CHHN)(NReC)(CH3)2	H(CCHN)	C(CCCN)(NReC)(H)2	C(CHHN)(NReC)(CH3)2	H(CCHN)	109.8900	0.445	3	109.8900	0.198	3	109.8979	0.087	32	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(NAlC)(H)2	C(CHHN)(OAl2)(CH3)2	H(CCHN)	C(CCCO)(NAlC)(H)2	C(CHHN)(OAl2)(CH3)2	H(CCHN)	110.0530	0.028	4	110.0530	0.001	4	110.0530	0.001	4	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]C[5]C)(NHS)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHN)	C(CC[6a]C[5]C)(NHS)(H)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	H(CCHN)	109.2893	0.049	4	109.2893	0.002	4	109.2893	0.002	4	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(OMnH)(H)2	C(CHHO)(NMnC)(CH3)2	H(CCHO)	C(CCCN)(OMnH)(H)2	C(CHHO)(NMnC)(CH3)2	H(CCHO)	109.7613	0.398	4	109.7613	0.159	4	109.8204	0.081	12	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:3:4:4:	4:	C-4:O-3:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(ONiH)(H)2	C(CHHO)(NNiC)(CH3)2	H(CCHO)	C(CCCN)(ONiH)(H)2	C(CHHO)(NNiC)(CH3)2	H(CCHO)	109.8500	0.236	8	109.8500	0.056	8	109.8204	0.081	12	109.1139	1.389	76	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:B-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(BC[6a]2)(H)2	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CBCH)	C(CC[5]HH)(BC[6a]2)(H)2	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CBCH)	107.9805	0.056	2	107.9805	0.003	2	107.9805	0.003	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	C(CCHH)(COO)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	109.4180	1.623	3	109.4180	2.634	3	109.7318	2.150	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(Br)(H)	C(CN[5]HH)(CBrCH)(H)2	H(CBrCC)	C(CCHH)(COO)(Br)(H)	C(CN[5]HH)(CBrCH)(H)2	H(CBrCC)	110.6730	0.000	1	110.6730	0.000	1	109.7318	2.150	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCO)(Cl)(H)	C(CClCH)(CCFF)(F)2	H(CClCC)	C(CCFF)(CCO)(Cl)(H)	C(CClCH)(CCFF)(F)2	H(CClCC)	108.7110	0.034	2	108.7110	0.001	2	108.7110	0.001	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(Cl)(H)	C(CClCH)2(H)2	H(CClCC)	C(CCHH)(CCC)(Cl)(H)	C(CClCH)2(H)2	H(CClCC)	112.1320	0.000	1	112.1320	0.000	1	109.2753	3.374	6	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(Cl)(H)	C(CC[5]SeH)(CClCH)(H)2	H(CClCC)	C(CCHH)(CCO)(Cl)(H)	C(CC[5]SeH)(CClCH)(H)2	H(CClCC)	109.6385	0.558	2	109.6385	0.311	2	109.2753	3.374	6	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CCHH)(CNO)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	108.0185	1.958	2	108.0185	3.834	2	109.2753	3.374	6	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	C(CCHH)(COO)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	108.2060	0.000	1	108.2060	0.000	1	109.2753	3.374	6	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:D-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(D)(H)	C(CCDH)(CCHH)(H)2	H(CCCD)	C(CCHH)(CCO)(D)(H)	C(CCDH)(CCHH)(H)2	H(CCCD)	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:F-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCO)(F)(H)	C(CCFF)(CCFH)(F)2	H(CCCF)	C(CCFF)(CCO)(F)(H)	C(CCFF)(CCFH)(F)2	H(CCCF)	106.9340	1.247	3	106.9340	1.554	3	106.9340	1.554	3	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(F)(H)	C(CCFH)(CFHH)(H)2	H(CCCF)	C(CCHH)(CCH)(F)(H)	C(CCFH)(CFHH)(H)2	H(CCCF)	108.8895	0.013	2	108.8895	0.000	2	109.7929	2.723	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(F)(H)	C(CCFH)(CCHN)(H)2	H(CCCF)	C(CCHH)(CNO)(F)(H)	C(CCFH)(CCHN)(H)2	H(CCCF)	110.0940	1.837	6	110.0940	3.376	6	109.7929	2.723	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	B[5,5]-4:C-4:H-1:H-1:	C-4:	C(CB[5,5]HH)(COO)(H)2	C(B[5,5]N[5,5]O[5]2)(CCHH)(H)2	H(CCCH)	C(CB[5,5]HH)(COO)(H)2	C(B[5,5]N[5,5]O[5]2)(CCHH)(H)2	H(CCCH)	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCH)(H)2	C(CBrCH)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CCH)(H)2	C(CBrCH)(CCHH)(Br)(H)	H(CCCH)	108.3280	0.021	2	108.3280	0.000	2	108.6699	0.052	9	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCH)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	C(CBrCH)(CCH)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	108.7676	0.139	7	108.7676	0.019	7	108.6699	0.052	9	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCC)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	C(CClCH)(CCC)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	108.5120	0.072	3	108.5120	0.005	3	108.8821	0.128	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCC)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CCC)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CCCH)	108.9373	0.423	4	108.9373	0.179	4	108.8821	0.128	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCI)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	C(CClCH)(CCI)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	108.9355	0.005	2	108.9355	0.000	2	108.8821	0.128	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCO)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	C(CClCH)(CCO)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	109.2735	0.012	2	109.2735	0.000	2	108.8821	0.128	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCH)(H)2	C(CCHH)(CCHN)(F)2	H(CCCH)	C(CCFF)(CCH)(H)2	C(CCHH)(CCHN)(F)2	H(CCCH)	108.8585	0.008	2	108.8585	0.000	2	108.6702	0.030	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(COO)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CCFF)(COO)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	108.5240	0.017	2	108.5240	0.000	2	108.6702	0.030	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(COO)(H)2	C(CCHH)(CHHN)(F)2	H(CCCH)	C(CCFF)(COO)(H)2	C(CCHH)(CHHN)(F)2	H(CCCH)	108.5860	0.000	1	108.5860	0.000	1	108.6702	0.030	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CAuC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CAuC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	110.3170	0.018	2	110.3170	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CBC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CBC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.0890	0.625	6	108.0890	0.390	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CBrC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CBrC)(H)2	C(CCHH)2(H)2	H(CCCH)	109.2850	0.028	2	109.2850	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.5467	0.585	14	108.5467	0.342	14	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.2616	0.225	12	109.2616	0.051	12	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	109.8390	1.048	6	109.8390	1.097	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.9886	0.481	23	108.9886	0.231	23	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.3466	0.855	29	108.3466	0.730	29	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	107.8340	0.055	2	107.8340	0.003	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	109.2225	0.011	2	109.2225	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4427	1.209	105	108.4427	1.461	105	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[3x5,6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[3x5,6]CH)(CCHH)(H)2	H(CCCH)	108.0910	0.011	2	108.0910	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.2140	0.107	4	108.2140	0.011	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	107.8110	0.044	2	107.8110	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	108.6950	0.577	2	108.6950	0.333	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	109.1222	0.553	4	109.1222	0.306	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	108.9200	0.000	1	108.9200	0.000	1	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.7229	0.684	12	108.7229	0.468	12	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	108.8140	0.007	2	108.8140	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.0905	0.011	2	109.0905	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCC)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.5205	0.497	2	108.5205	0.247	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCF)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCF)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8335	0.005	2	108.8335	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCF)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCF)(H)2	C(CCHH)2(H)2	H(CCCH)	109.8320	0.020	2	109.8320	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	109.0493	0.332	7	109.0493	0.110	7	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.9701	0.988	42	108.9701	0.977	42	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.4993	0.578	6	109.4993	0.335	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCDH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCDH)(CCHH)(H)2	H(CCCH)	108.4395	0.015	2	108.4395	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	98.8634	4.099	2	98.8634	16.804	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	109.2092	0.702	23	109.2092	0.493	23	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.3670	0.691	14	108.3670	0.478	14	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.6315	2.565	25	108.6315	6.578	25	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	107.5795	0.009	2	107.5795	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.3969	1.465	56	108.3969	2.146	56	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.0759	0.490	29	109.0759	0.240	29	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.3209	1.140	8	108.3209	1.299	8	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	109.0540	0.007	2	109.0540	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7919	1.011	276	108.7919	1.022	276	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	108.9285	0.049	2	108.9285	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[3x5,6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[3x5,6]CH)(CCHH)(H)2	H(CCCH)	107.7010	0.040	2	107.7010	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	109.7775	0.193	2	109.7775	0.037	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.8445	1.415	45	108.8445	2.002	45	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	109.3301	0.513	18	109.3301	0.263	18	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	107.2522	1.461	6	107.2522	2.134	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	109.3990	0.951	6	109.3990	0.904	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5]RuH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5]RuH)(CCHH)(H)2	H(CCCH)	108.9715	0.015	2	108.9715	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	110.3455	1.273	2	110.3455	1.622	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6,6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6,6]CH)(CCHH)(H)2	H(CCCH)	109.2485	0.117	2	109.2485	0.014	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]BrH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]BrH)(CCHH)(H)2	H(CCCH)	108.7750	0.042	2	108.7750	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	108.9740	0.013	2	108.9740	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	108.9164	0.345	10	108.9164	0.119	10	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]CO)(CCHH)(H)2	H(CCCH)	107.1163	1.573	4	107.1163	2.473	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.5185	0.478	11	108.5185	0.228	11	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.6780	1.339	9	108.6780	1.793	9	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CClCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CClCC)(CCHH)(H)2	H(CCCH)	108.5290	0.007	2	108.5290	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	109.4870	0.656	6	109.4870	0.430	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.5964	1.060	7	109.5964	1.125	7	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	108.6780	0.045	2	108.6780	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.0185	0.009	2	109.0185	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	109.4488	0.707	4	109.4488	0.500	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	108.1264	0.351	5	108.1264	0.123	5	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCH)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	108.9040	0.000	1	108.9040	0.000	1	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCI)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CCI)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.7485	0.183	2	108.7485	0.034	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0641	0.367	8	109.0641	0.135	8	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CCN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	106.7833	6.774	4	106.7833	45.890	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CCN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.5215	0.009	2	108.5215	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6539	0.782	81	108.6539	0.611	81	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	108.9520	0.055	2	108.9520	0.003	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.1649	1.210	16	108.1649	1.463	16	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.0050	0.210	5	109.0050	0.044	5	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.6155	0.030	2	108.6155	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.6972	0.017	4	108.6972	0.000	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	107.9762	2.301	20	107.9762	5.295	20	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.0221	0.523	11	109.0221	0.274	11	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8319	0.798	241	108.8319	0.637	241	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	108.4843	0.111	4	108.4843	0.012	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	108.5495	1.285	4	108.5495	1.652	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	108.2785	0.011	2	108.2785	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	108.6480	0.024	2	108.6480	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.4760	0.583	8	108.4760	0.339	8	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.3605	0.758	6	108.3605	0.574	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	108.9625	0.016	2	108.9625	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[5a]HS)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[5a]HS)(CCHH)(H)2	H(CCCH)	109.5090	0.030	2	109.5090	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	109.0025	0.018	2	109.0025	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	108.4830	0.040	2	108.4830	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]CS)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]CS)(CCHH)(H)2	H(CCCH)	109.2095	0.022	2	109.2095	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]C[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]C[6]C)(CCHH)(H)2	H(CCCH)	109.1145	0.033	2	109.1145	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.4507	0.424	3	109.4507	0.180	3	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	109.5530	0.240	2	109.5530	0.058	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.2593	0.091	3	108.2593	0.008	3	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCO)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	108.8360	0.035	2	108.8360	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.2215	0.512	6	108.2215	0.262	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCP)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCP)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5392	0.115	4	108.5392	0.013	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCS)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CCS)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	109.1790	0.000	1	109.1790	0.000	1	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6515	0.006	2	108.6515	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCS)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9431	0.705	10	108.9431	0.497	10	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CClC)(H)2	C(CCHH)(CFHH)(H)2	H(CCCH)	C(CCHH)(CClC)(H)2	C(CCHH)(CFHH)(H)2	H(CCCH)	106.8965	2.181	2	106.8965	4.759	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCoC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCoC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.1810	0.284	4	108.1810	0.081	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCuC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCuC)(H)2	C(CCHH)2(H)2	H(CCCH)	109.9156	0.254	36	109.9156	0.064	36	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CFeO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CFeO)(H)2	C(CCHH)2(H)2	H(CCCH)	107.1445	0.107	2	107.1445	0.011	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	106.3750	1.558	2	106.3750	2.429	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	109.1395	2.112	2	109.1395	4.461	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.4799	3.538	38	109.4799	12.515	38	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.0155	3.589	10	109.0155	12.883	10	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	111.3018	2.133	38	111.3018	4.550	38	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	H(CCCH)	106.8559	3.896	42	106.8559	15.178	42	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	109.1760	0.006	2	109.1760	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.6810	1.029	4	108.6810	1.058	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5627	1.526	12	108.5627	2.328	12	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CHN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.7393	0.135	7	108.7393	0.018	7	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CHN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.4952	0.126	16	108.4952	0.016	16	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHN)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHN)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9535	1.387	13	108.9535	1.923	13	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	107.4850	0.033	2	107.4850	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHO)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4695	0.069	4	109.4695	0.005	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.4275	0.033	2	108.4275	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8423	0.135	4	108.8423	0.018	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHP)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHP)(H)2	C(CCHH)2(H)2	H(CCCH)	109.7650	0.331	2	109.7650	0.110	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHS)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4290	0.161	2	109.4290	0.026	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CIrC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CIrC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7770	0.017	2	108.7770	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CIrC)(H)2	C(CIrCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CIrC)(H)2	C(CIrCC)(CCHH)(H)2	H(CCCH)	110.4965	0.005	2	110.4965	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CIrC)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CIrC)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	108.6362	0.376	10	108.6362	0.142	10	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CMgC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CMgC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9790	0.035	2	108.9790	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CMoH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CMoH)(H)2	C(CCHH)2(H)2	H(CCCH)	110.7200	0.030	4	110.7200	0.001	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CNN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.5433	0.388	3	109.5433	0.151	3	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNN)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CNN)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0886	0.638	42	109.0886	0.407	42	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.8525	0.028	2	108.8525	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	108.7108	0.072	4	108.7108	0.005	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.9715	0.758	52	108.9715	0.575	52	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CCHI)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHI)(H)2	H(CCCH)	109.2545	0.030	2	109.2545	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	109.3547	1.049	79	109.3547	1.101	79	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.8230	0.040	2	108.8230	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9703	0.561	61	108.9703	0.315	61	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9695	0.358	19	108.9695	0.128	19	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8356	0.366	22	108.8356	0.134	22	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.8902	0.282	4	108.8902	0.079	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)(CN3)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)(CN3)(H)2	H(CCCH)	111.6968	0.345	4	111.6968	0.119	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9513	0.935	382	108.9513	0.874	382	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	109.2523	0.021	4	109.2523	0.000	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	109.0688	0.838	52	109.0688	0.702	52	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.6760	0.000	1	108.6760	0.000	1	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	109.5243	0.306	11	109.5243	0.094	11	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	109.4065	0.013	2	109.4065	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.7050	0.242	4	108.7050	0.059	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6a]BrC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6a]BrC)(CCHH)(H)2	H(CCCH)	108.0480	0.020	2	108.0480	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	108.6810	0.028	2	108.6810	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	108.7942	0.108	5	108.7942	0.012	5	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.6939	0.865	18	108.6939	0.748	18	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	109.4740	0.038	2	109.4740	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	108.9597	0.253	30	108.9597	0.064	30	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.3345	0.115	4	109.3345	0.013	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.3315	0.262	6	109.3315	0.069	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	107.2270	0.011	2	107.2270	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CSiFF)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CSiFF)(CCHH)(H)2	H(CCCH)	109.1910	0.014	2	109.1910	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CNS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.1208	0.568	4	108.1208	0.323	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CNS)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0077	0.934	6	109.0077	0.873	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNiO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CNiO)(H)2	C(CCHH)2(H)2	H(CCCH)	107.2965	0.233	2	107.2965	0.054	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.2550	0.011	2	109.2550	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.9392	0.348	14	108.9392	0.121	14	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	109.0269	0.374	11	109.0269	0.140	11	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	109.0114	0.762	9	109.0114	0.580	9	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCHI)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCHI)(H)2	H(CCCH)	107.7970	1.144	6	107.7970	1.308	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.9682	0.729	124	108.9682	0.532	124	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.9378	0.496	12	108.9378	0.246	12	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CCNS)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CCNS)(H)2	H(CCCH)	109.0675	0.028	2	109.0675	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0081	0.769	36	109.0081	0.591	36	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.8166	1.572	81	108.8166	2.473	81	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.7902	0.274	14	108.7902	0.075	14	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.4755	0.029	2	108.4755	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.5172	0.349	6	108.5172	0.122	6	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	108.5990	0.028	2	108.5990	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CN3)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CN3)(H)2	H(CCCH)	111.6328	1.601	4	111.6328	2.563	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)(CSe3)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)(CSe3)(H)2	H(CCCH)	108.9310	0.023	2	108.9310	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8172	0.968	1373	108.8172	0.938	1373	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	109.8800	1.139	9	109.8800	1.297	9	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	109.0038	1.050	205	109.0038	1.102	205	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	109.1515	0.189	4	109.1515	0.036	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	108.3930	0.031	2	108.3930	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	108.8800	0.024	2	108.8800	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.7602	0.021	4	108.7602	0.000	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6a]C[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6a]C[6]C)(CCHH)(H)2	H(CCCH)	108.7670	0.000	1	108.7670	0.000	1	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	110.0365	0.047	2	110.0365	0.002	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.4484	1.092	15	109.4484	1.193	15	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	109.2180	0.030	2	109.2180	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CN[3]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CN[3]HN)(CCHH)(H)2	H(CCCH)	108.9800	0.023	2	108.9800	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	108.4870	0.031	2	108.4870	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.1087	1.057	30	109.1087	1.117	30	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.2615	0.030	2	109.2615	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.8281	0.411	11	108.8281	0.169	11	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(COO)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	108.8930	0.016	2	108.8930	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(COS)(H)2	C(CCHH)2(H)2	H(CCCH)	109.5967	1.152	28	109.5967	1.327	28	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COsC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(COsC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5265	0.019	2	108.5265	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CPtO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CPtO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.3400	0.054	2	108.3400	0.003	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CReC)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CReC)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.0495	0.006	2	109.0495	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CReC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CReC)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1051	0.143	12	109.1051	0.020	12	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CReO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CReO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8405	0.022	2	108.8405	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CRhC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CRhC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9795	0.561	2	108.9795	0.314	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CRhC)(H)2	C(CRhCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CRhC)(H)2	C(CRhCH)(CCHH)(H)2	H(CCCH)	109.5355	1.037	10	109.5355	1.074	10	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CRuC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CRuC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5320	0.000	1	108.5320	0.000	1	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CRuH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CRuH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8817	0.362	4	108.8817	0.131	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CRuO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CRuO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.7290	0.028	2	109.7290	0.001	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CSS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CSS)(H)2	C(CCHH)2(H)2	H(CCCH)	108.2000	0.260	4	108.2000	0.068	4	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CSeC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CSeC)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5015	0.011	2	108.5015	0.000	2	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CSeC)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CSeC)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4730	0.185	3	108.4730	0.034	3	108.8701	1.430	4531	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.0225	0.604	8	109.0225	0.364	8	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.3812	0.576	6	109.3812	0.332	6	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	109.6470	0.000	1	109.6470	0.000	1	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHH)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)(CHH)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	108.3435	0.448	2	108.3435	0.200	2	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHH)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CHH)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	112.1115	1.732	4	112.1115	2.999	4	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	108.1300	2.583	6	108.1300	6.671	6	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	109.2406	0.315	7	109.2406	0.099	7	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.3071	0.477	14	109.3071	0.228	14	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.3932	1.101	10	109.3932	1.211	10	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.5913	0.449	12	108.5913	0.202	12	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.2875	1.131	39	109.2875	1.280	39	109.2317	1.483	109	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(CCHH)(PCOO)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(CCHH)(PCOO)(H)2	H(CCCH)	108.9195	0.026	2	108.9195	0.001	2	109.1643	2.083	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	109.2133	1.591	10	109.2133	2.530	10	109.1643	2.083	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(CCO)(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	C(CHHS)(CCO)(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	109.1770	0.068	2	109.1770	0.005	2	109.1770	0.005	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(COO)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(COO)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	109.0689	0.557	8	109.0689	0.310	8	109.6092	1.577	10	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CRhO)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CSiHH)(CRhO)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	111.7705	0.592	2	111.7705	0.350	2	109.6092	1.577	10	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	H(CCCH)	C(CC[3,5]HH)(CCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	H(CCCH)	109.1940	0.132	8	109.1940	0.017	8	109.1940	0.017	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(COO)(H)2	C(C[3,6]C[3,6,6]C[3]C[6])(CCHH)(H)2	H(CCCH)	C(CC[3,6]HH)(COO)(H)2	C(C[3,6]C[3,6,6]C[3]C[6])(CCHH)(H)2	H(CCCH)	108.8180	0.017	2	108.8180	0.000	2	108.8540	0.002	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(COO)(H)2	C(C[3,6]C[3,6,6]C[5,6]C[3])(CCHH)(H)2	H(CCCH)	C(CC[3,6]HH)(COO)(H)2	C(C[3,6]C[3,6,6]C[5,6]C[3])(CCHH)(H)2	H(CCCH)	108.8900	0.011	2	108.8900	0.000	2	108.8540	0.002	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCC)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCC)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	108.3973	0.173	7	108.3973	0.030	7	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCC)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCC)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	108.9393	0.242	4	108.9393	0.059	4	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCC)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCC)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	108.7911	0.465	12	108.7911	0.216	12	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3,5]2C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3,5]2C)(CCHH)(H)2	H(CCCH)	108.9540	0.030	2	108.9540	0.001	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	109.4790	0.035	2	109.4790	0.001	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	109.0680	0.243	4	109.0680	0.059	4	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	109.3492	0.350	72	109.3492	0.122	72	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	108.3020	0.214	2	108.3020	0.046	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	108.4825	0.023	2	108.4825	0.001	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCO)(H)2	C(C[3]C[6a]C[3]2)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCO)(H)2	C(C[3]C[6a]C[3]2)(CCHH)(H)2	H(CCCH)	108.8555	0.049	2	108.8555	0.002	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[4]C)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[4]C)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(CCCH)	108.7812	0.152	4	108.7812	0.023	4	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[5]O)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[5]O)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	111.8910	0.000	1	111.8910	0.000	1	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[6]C)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[6]C)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	109.2035	0.054	2	109.2035	0.003	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[6a]C)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[6a]C)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	109.2135	0.006	2	109.2135	0.000	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CNO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CNO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	108.9075	0.016	2	108.9075	0.000	2	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(COO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(COO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	109.0423	0.099	13	109.0423	0.010	13	109.1489	0.239	133	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(COO)(H)2	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(COO)(H)2	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	H(CCCH)	109.2590	0.040	2	109.2590	0.002	2	109.2590	0.002	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4,5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5,5,6]HH)(CCH)(H)2	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(CCHH)(H)2	H(CCCH)	C(CC[4,5,5,6]HH)(CCH)(H)2	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(CCHH)(H)2	H(CCCH)	109.5215	2.562	2	109.5215	6.563	2	109.5215	6.563	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4,5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5,5]HH)(COO)(H)2	C(C[4,5,5]C[4,5]2N[5,5])(CCHH)(H)2	H(CCCH)	C(CC[4,5,5]HH)(COO)(H)2	C(C[4,5,5]C[4,5]2N[5,5])(CCHH)(H)2	H(CCCH)	108.9040	0.028	2	108.9040	0.001	2	108.9040	0.001	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCC)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCC)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	108.8970	0.060	10	108.8970	0.004	10	108.8403	0.396	24	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCH)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCH)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CCCH)	108.9045	0.013	2	108.9045	0.000	2	108.8403	0.396	24	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	109.4650	0.000	1	109.4650	0.000	1	108.8403	0.396	24	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCO)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCO)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	108.1631	0.290	7	108.1631	0.084	7	108.8403	0.396	24	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(COO)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(COO)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CCCH)	110.3990	0.020	2	110.3990	0.000	2	108.8403	0.396	24	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(COO)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(COO)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	108.9910	0.157	2	108.9910	0.025	2	108.8403	0.396	24	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CC[6a]O)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CC[6a]O)(H)2	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	109.2665	0.013	2	109.2665	0.000	2	109.2665	0.000	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CCH)(H)2	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6,6]HH)(CCH)(H)2	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CCCH)	109.3033	0.014	4	109.3033	0.000	4	109.3033	0.000	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	H(CCCH)	109.1400	0.037	2	109.1400	0.001	2	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(CCCH)	108.0810	0.048	2	108.0810	0.002	2	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	108.1850	0.191	2	108.1850	0.036	2	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCH)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	H(CCCH)	109.1973	0.142	3	109.1973	0.020	3	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CC[4]C)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CC[4]C)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	108.5817	0.200	8	108.5817	0.040	8	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CC[4]C)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CC[4]C)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	108.3465	0.032	2	108.3465	0.001	2	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CC[5]C)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CC[5]C)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	108.1250	0.000	1	108.1250	0.000	1	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CC[6a]O)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CC[6a]O)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	H(CCCH)	108.9290	0.015	3	108.9290	0.000	3	108.6375	0.161	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(CCCH)	C(CC[5]BrH)(CCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(CCCH)	109.2165	0.195	10	109.2165	0.038	10	109.2165	0.038	10	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CBrC)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CBrC)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	109.1425	0.025	2	109.1425	0.001	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CCCH)	108.4470	0.023	2	108.4470	0.001	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CCCH)	108.1634	0.154	8	108.1634	0.024	8	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	108.2670	0.050	3	108.2670	0.003	3	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.7382	0.678	38	108.7382	0.460	38	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	H(CCCH)	107.7365	0.577	4	107.7365	0.333	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.9915	0.149	4	108.9915	0.022	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCC)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	108.8020	0.047	2	108.8020	0.002	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	H(CCCH)	107.6085	1.162	4	107.6085	1.351	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	H(CCCH)	109.3155	0.005	2	109.3155	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	107.2080	0.000	1	107.2080	0.000	1	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CCCH)	109.2542	0.098	4	109.2542	0.010	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	108.8840	0.052	3	108.8840	0.003	3	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	H(CCCH)	108.8690	0.021	4	108.8690	0.000	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	108.4575	0.161	2	108.4575	0.026	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(CCCH)	108.6285	0.019	2	108.6285	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	109.4283	1.440	6	109.4283	2.075	6	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	H(CCCH)	109.2550	0.042	4	109.2550	0.002	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	107.0410	0.533	3	107.0410	0.284	3	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	109.0933	0.220	3	109.0933	0.048	3	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	108.8010	0.000	1	108.8010	0.000	1	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	112.0115	0.272	2	112.0115	0.074	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	107.5610	0.064	2	107.5610	0.004	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	H(CCCH)	108.8767	0.028	3	108.8767	0.001	3	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	H(CCCH)	109.0690	0.000	1	109.0690	0.000	1	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	108.9300	0.872	25	108.9300	0.760	25	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.9245	0.059	4	108.9245	0.003	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	109.4424	1.747	9	109.4424	3.051	9	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	109.9229	0.636	8	109.9229	0.404	8	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[6a]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[6a]C[5]2)(CCHH)(H)2	H(CCCH)	108.9440	0.061	2	108.9440	0.004	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCO)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.9336	0.093	15	108.9336	0.009	15	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]C)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]C)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	113.9025	5.881	2	113.9025	34.586	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]C)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]C)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.0595	0.006	2	108.0595	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.0556	1.003	29	108.0556	1.006	29	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]H)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]H)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	106.5555	0.021	2	106.5555	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]O)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]O)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	108.6320	0.000	1	108.6320	0.000	1	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	109.8680	0.023	2	109.8680	0.001	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5a]O)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5a]O)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	109.2336	0.056	5	109.2336	0.003	5	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]O)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]O)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	108.2385	0.026	2	108.2385	0.001	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6a]C)(H)2	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6a]C)(H)2	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	H(CCCH)	108.0650	0.040	2	108.0650	0.002	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6a]O)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6a]O)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	109.0637	0.041	4	109.0637	0.002	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6a]O)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6a]O)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	108.7892	0.511	10	108.7892	0.261	10	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHH)(H)2	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHH)(H)2	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(CCCH)	108.9740	0.021	2	108.9740	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	110.0330	0.191	2	110.0330	0.036	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	108.5140	0.024	2	108.5140	0.001	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CNO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CNO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.4939	0.084	9	109.4939	0.007	9	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CNO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CNO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.8686	0.627	30	108.8686	0.393	30	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[5]O)(H)2	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[5]O)(H)2	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	110.4670	0.351	2	110.4670	0.123	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[6]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[6]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	109.0482	0.224	4	109.0482	0.050	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	108.7430	0.064	2	108.7430	0.004	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	H(CCCH)	109.4105	0.022	2	109.4105	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	108.9705	0.162	12	108.9705	0.026	12	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	H(CCCH)	109.1185	0.011	2	109.1185	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.1660	0.239	4	109.1660	0.057	4	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.7305	0.028	2	108.7305	0.001	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.9070	0.450	29	108.9070	0.202	29	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2Mo)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]2Mo)(CCHH)(H)2	H(CCCH)	111.2195	3.736	2	111.2195	13.955	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.7431	0.264	8	108.7431	0.070	8	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COS)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(COS)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.4365	0.016	2	109.4365	0.000	2	108.8679	1.026	350	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCH)(H)2	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCH)(H)2	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	H(CCCH)	106.4725	2.218	2	106.4725	4.920	2	106.4725	4.920	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.0355	0.039	2	108.0355	0.002	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	107.7378	0.972	4	107.7378	0.944	4	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.2275	0.915	23	109.2275	0.836	23	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.5622	0.923	12	108.5622	0.853	12	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	108.3021	1.178	23	108.3021	1.387	23	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.0579	0.324	25	109.0579	0.105	25	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	108.3400	0.014	2	108.3400	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCC)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.9323	0.635	6	108.9323	0.403	6	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	H(CCCH)	110.1043	0.048	7	110.1043	0.002	7	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.4330	0.057	3	109.4330	0.003	3	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.2461	0.323	15	109.2461	0.104	15	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	107.4155	3.733	6	107.4155	13.935	6	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	H(CCCH)	111.1500	2.834	2	111.1500	8.032	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	H(CCCH)	109.4157	0.354	10	109.4157	0.125	10	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	H(CCCH)	107.2060	0.008	2	107.2060	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.4011	1.393	19	109.4011	1.940	19	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.2846	1.125	16	109.2846	1.265	16	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	108.1580	0.000	1	108.1580	0.000	1	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]N[6]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]N[6]O)(CCHH)(H)2	H(CCCH)	108.0825	3.845	2	108.0825	14.780	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	108.4561	0.953	29	108.4561	0.909	29	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.1123	0.082	4	108.1123	0.007	4	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCN)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCN)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.3500	0.031	2	109.3500	0.001	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.4425	0.366	6	108.4425	0.134	6	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	H(CCCH)	107.3080	0.000	1	107.3080	0.000	1	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	108.8600	0.008	2	108.8600	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	107.5010	0.255	2	107.5010	0.065	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.3675	0.009	2	108.3675	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	108.6970	0.010	4	108.6970	0.000	4	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CCCH)	109.6540	0.000	1	109.6540	0.000	1	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	108.8172	0.226	5	108.8172	0.051	5	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.5725	0.022	2	108.5725	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	108.3360	0.017	2	108.3360	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	108.1665	0.008	2	108.1665	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[4]C)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[4]C)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.7147	0.390	4	108.7147	0.152	4	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[4]C)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[4]C)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.4580	0.551	26	108.4580	0.303	26	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[4]O)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[4]O)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.9242	0.462	6	108.9242	0.213	6	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[5]C)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[5]C)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	109.0011	0.191	11	109.0011	0.037	11	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	108.7998	0.254	6	108.7998	0.065	6	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.2746	1.108	27	109.2746	1.228	27	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[6a]O)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	H(CCCH)	108.7090	0.014	2	108.7090	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CNO)(H)2	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CNO)(H)2	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	H(CCCH)	109.2655	0.022	2	109.2655	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CNO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CNO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.4027	0.277	6	108.4027	0.077	6	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CNO)(H)2	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CNO)(H)2	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.9130	0.025	2	108.9130	0.001	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CNO)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CNO)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	109.1715	0.030	2	109.1715	0.001	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CNO)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CNO)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CCCH)	109.0995	0.016	2	109.0995	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CNO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CNO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.7210	0.042	2	109.7210	0.002	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CNO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CNO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	109.0750	0.030	2	109.0750	0.001	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.3563	0.055	4	109.3563	0.003	4	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.5830	0.238	4	108.5830	0.057	4	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.0080	0.144	4	109.0080	0.021	4	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	109.1110	0.099	2	109.1110	0.010	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	109.1911	0.380	19	109.1911	0.145	19	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	H(CCCH)	111.8550	1.564	2	111.8550	2.446	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.0085	0.066	2	109.0085	0.004	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.8286	0.958	17	108.8286	0.918	17	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	H(CCCH)	109.2915	0.066	2	109.2915	0.004	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	108.8140	0.007	2	108.8140	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.9410	0.031	2	108.9410	0.001	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(H)2	C(C[6]C[6a]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(COO)(H)2	C(C[6]C[6a]C[6]2)(CCHH)(H)2	H(CCCH)	108.9375	0.011	2	108.9375	0.000	2	108.8917	1.062	406	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	Ga-4:C-4:H-1:H-1:	C-4:	C(CGaHH)(CCC)(H)2	C(GaCl2P)(CCHH)(H)2	H(CCCH)	C(CGaHH)(CCC)(H)2	C(GaCl2P)(CCHH)(H)2	H(CCCH)	108.4460	0.177	2	108.4460	0.031	2	108.4460	0.031	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CCH)(H)2	C(NMoCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CCH)(H)2	C(NMoCC)(CCHH)(H)2	H(CCCH)	109.9285	0.006	2	109.9285	0.000	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHN)(H)2	C(NCoCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHN)(H)2	C(NCoCH)(CCHH)(H)2	H(CCCH)	107.3265	2.969	2	107.3265	8.816	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHN)(H)2	C(NMnHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHN)(H)2	C(NMnHH)(CCHH)(H)2	H(CCCH)	111.1340	4.158	2	111.1340	17.287	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	108.5685	0.022	2	108.5685	0.000	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHN)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHN)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	104.7640	2.027	2	104.7640	4.107	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NCrCO)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NCrCO)(CCHH)(H)2	H(CCCH)	108.1695	0.117	4	108.1695	0.014	4	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	108.9375	0.965	6	108.9375	0.931	6	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	108.9385	0.059	2	108.9385	0.003	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NLiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NLiCC)(CCHH)(H)2	H(CCCH)	108.3515	0.042	2	108.3515	0.002	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	108.4057	0.667	8	108.4057	0.445	8	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	108.0100	0.018	2	108.0100	0.000	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	109.0830	0.785	4	109.0830	0.617	4	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CNO)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CNO)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	109.5260	0.004	2	109.5260	0.000	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	109.7090	0.024	2	109.7090	0.001	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	109.4340	0.017	2	109.4340	0.000	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	108.7565	0.036	2	108.7565	0.001	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	108.0923	0.022	4	108.0923	0.000	4	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	108.1885	0.012	2	108.1885	0.000	2	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	108.4835	0.614	16	108.4835	0.377	16	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(COO)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(COO)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	109.6477	0.108	3	109.6477	0.012	3	108.6225	1.554	71	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CNO)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CNO)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	110.2990	2.030	6	110.2990	4.121	6	110.2419	3.162	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(COO)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(COO)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	H(CCCH)	110.0705	1.204	2	110.0705	1.450	2	110.2419	3.162	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.6910	0.000	1	109.6910	0.000	1	109.3290	0.327	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CC[5a]O)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CC[5a]O)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.7730	0.024	2	109.7730	0.001	2	109.3290	0.327	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(COO)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(COO)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.7040	0.031	2	108.7040	0.001	2	109.3290	0.327	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CCC)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CCC)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	109.2555	0.030	2	109.2555	0.001	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CCF)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CHHP)(CCF)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	109.2835	0.006	2	109.2835	0.000	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CCH)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CHHP)(CCH)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	108.6330	0.047	2	108.6330	0.002	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CCP)(H)2	C(PC[6a]2S)(CCHH)(H)2	H(CCCH)	C(CHHP)(CCP)(H)2	C(PC[6a]2S)(CCHH)(H)2	H(CCCH)	109.5120	0.000	1	109.5120	0.000	1	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHH)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHH)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	108.4025	0.050	2	108.4025	0.003	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHP)(H)2	C(PC[6a]C[6]Ag)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHP)(H)2	C(PC[6a]C[6]Ag)(CCHH)(H)2	H(CCCH)	107.9495	0.032	2	107.9495	0.001	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHP)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHP)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	110.5515	5.171	2	110.5515	26.740	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CNO)(H)2	C(PC[6a]2O)(CCHH)(H)2	H(CCCH)	C(CHHP)(CNO)(H)2	C(PC[6a]2O)(CCHH)(H)2	H(CCCH)	108.8495	0.018	2	108.8495	0.000	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(PC[6a]2C)(CCHH)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(PC[6a]2C)(CCHH)(H)2	H(CCCH)	109.2805	0.033	2	109.2805	0.001	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	108.3090	0.033	2	108.3090	0.001	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.0187	0.443	9	109.0187	0.196	9	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(PC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(PC[6a]CC)(CCHH)(H)2	H(CCCH)	109.3465	0.022	2	109.3465	0.000	2	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(PC[6a]OO)(CCHH)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(PC[6a]OO)(CCHH)(H)2	H(CCCH)	108.6750	0.269	7	108.6750	0.072	7	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(COO)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(COO)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	109.6153	0.587	6	109.6153	0.344	6	109.0423	1.033	43	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(CCH)(H)2	C(SC[5a]OO)(CCHH)(H)2	H(CCCH)	C(CHHS)(CCH)(H)2	C(SC[5a]OO)(CCHH)(H)2	H(CCCH)	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CNO)(H)2	C(SiC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CNO)(H)2	C(SiC[6a]CC)(CCHH)(H)2	H(CCCH)	109.3123	0.199	4	109.3123	0.040	4	109.3123	0.040	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(H)(O)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(H)(O)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C[5]-3:H-1:H-1:	C[3x5]-4:C-4:H-1:H-1:	C-4:	C(CC[3x5]HH)(C[5]C[5]2)(H)2	C(C[3x5]C[5,5]3)(CC[5]HH)(H)2	H(CC[5]CH)	C(CC[3x5]HH)(C[5]C[5]2)(H)2	C(C[3x5]C[5,5]3)(CC[5]HH)(H)2	H(CC[5]CH)	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C[5]-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(C[5]C[5]2)(H)2	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(CC[6,6]HH)(C[5]C[5]2)(H)2	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	108.8795	0.091	2	108.8795	0.008	2	108.8795	0.008	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[4,4,4x6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	C(C[4,4,4x6]C[4,4,4x6]C[3x4,6]C[4,4x6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	C(C[4,4,4x6]C[4,4,4x6]C[3x4,6]C[4,4x6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.2625	0.006	2	109.2625	0.000	2	109.2625	0.000	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	H(CC[6a]CH)	108.9290	0.017	2	108.9290	0.000	2	108.9290	0.000	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:Ga-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(GaCC)(H)2	C(CGaHH)(CH3)(H)2	H(CGaCH)	C(CCHH)(GaCC)(H)2	C(CGaHH)(CH3)(H)2	H(CGaCH)	108.3475	0.022	2	108.3475	0.000	2	108.3475	0.000	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(NCH)(H)2	C(CClCH)(CHHN)(Br)(H)	H(CCHN)	C(CBrCH)(NCH)(H)2	C(CClCH)(CHHN)(Br)(H)	H(CCHN)	109.2125	0.040	2	109.2125	0.002	2	109.2125	0.002	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(NCC)(H)2	C(CHHN)(CH3)(Cl)(H)	H(CCHN)	C(CClCH)(NCC)(H)2	C(CHHN)(CH3)(Cl)(H)	H(CCHN)	109.7660	0.000	1	109.7660	0.000	1	109.2431	0.149	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(NCH)(H)2	C(CCHN)(CHHN)(Cl)(H)	H(CCHN)	C(CClCH)(NCH)(H)2	C(CCHN)(CHHN)(Cl)(H)	H(CCHN)	109.0666	0.370	5	109.0666	0.137	5	109.2431	0.149	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(NCH)(H)2	C(CClCH)(CHHN)(Cl)(H)	H(CCHN)	C(CClCH)(NCH)(H)2	C(CClCH)(CHHN)(Cl)(H)	H(CCHN)	109.4230	0.049	2	109.4230	0.002	2	109.2431	0.149	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(NHS)(H)2	C(CC[6a]HH)(CHHN)(F)(H)	H(CCHN)	C(CCFH)(NHS)(H)2	C(CC[6a]HH)(CHHN)(F)(H)	H(CCHN)	109.9250	3.381	2	109.9250	11.434	2	109.9250	11.434	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NAlC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NAlC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2782	0.780	6	109.2782	0.608	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NAlC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NAlC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.5214	0.469	16	109.5214	0.220	16	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NAuC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NAuC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9762	0.409	12	108.9762	0.167	12	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NAuC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NAuC)(H)2	C(CHHN)2(H)2	H(CCHN)	108.5441	0.729	8	108.5441	0.532	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NBC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NBC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7975	0.012	2	108.7975	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NBeC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NBeC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3983	0.056	4	109.3983	0.003	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CBHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CBHH)(CHHN)(H)2	H(CCHN)	111.2275	0.281	2	111.2275	0.079	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	108.9706	0.931	30	108.9706	0.867	30	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CCCO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CCCO)(CHHN)(H)2	H(CCHN)	108.7310	0.011	2	108.7310	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9291	0.970	409	108.9291	0.941	409	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	108.9720	0.047	4	108.9720	0.002	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CCHN)	108.8143	0.282	13	108.8143	0.080	13	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[4x5,6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[4x5,6]HH)(CHHN)(H)2	H(CCHN)	107.5935	0.019	2	107.5935	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[5,3x6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[5,3x6]HH)(CHHN)(H)2	H(CCHN)	109.1984	0.130	8	109.1984	0.017	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[5,6,6]HO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[5,6,6]HO)(CHHN)(H)2	H(CCHN)	108.9972	0.101	6	108.9972	0.010	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CCHN)	108.3799	2.643	13	108.3799	6.988	13	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	109.0970	1.052	13	109.0970	1.107	13	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	108.6284	0.233	8	108.6284	0.054	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[5a]HO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[5a]HO)(CHHN)(H)2	H(CCHN)	109.0120	0.032	6	109.0120	0.001	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	108.5550	0.399	8	108.5550	0.159	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	108.6657	0.160	3	108.6657	0.026	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CC[6a]CO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CC[6a]CO)(CHHN)(H)2	H(CCHN)	109.3140	0.167	8	109.3140	0.028	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CClHH)(CHHN)(H)2	H(CCHN)	108.8794	0.261	7	108.8794	0.068	7	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CGeHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CGeHH)(CHHN)(H)2	H(CCHN)	109.3370	0.111	6	109.3370	0.012	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.9022	0.960	161	108.9022	0.922	161	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.2188	2.093	24	108.2188	4.382	24	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.8822	0.231	15	108.8822	0.054	15	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	H(CCHN)	108.8609	0.736	291	108.8609	0.542	291	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	108.8812	0.233	34	108.8812	0.054	34	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	108.9262	0.244	9	108.9262	0.060	9	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CN[6a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CN[6a]HH)(CHHN)(H)2	H(CCHN)	108.9583	0.037	3	108.9583	0.001	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CP[6,6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CP[6,6]HH)(CHHN)(H)2	H(CCHN)	109.2015	0.076	2	109.2015	0.006	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	109.0130	0.088	2	109.0130	0.008	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	111.7005	2.490	2	111.7005	6.199	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CSnCC)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CSnCC)(CHHN)(H)2	H(CCHN)	109.0062	0.074	4	109.0062	0.005	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CBrHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CBrHH)(CHHN)(H)2	H(CCHN)	108.7310	0.113	2	108.7310	0.013	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	109.3920	0.184	4	109.3920	0.034	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1718	1.532	865	109.1718	2.348	865	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	108.7590	0.052	2	108.7590	0.003	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	110.1875	2.565	4	110.1875	6.581	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[5a]2H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[5a]2H)(CHHN)(H)2	H(CCHN)	108.8020	0.018	2	108.8020	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	109.4827	0.075	3	109.4827	0.006	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	109.5398	0.832	14	109.5398	0.692	14	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CClHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CClHH)(CHHN)(H)2	H(CCHN)	109.1053	0.025	3	109.1053	0.001	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CC3)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CC3)(H)2	H(CCHN)	108.8340	0.000	1	108.8340	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.1554	0.584	144	109.1554	0.341	144	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.0541	0.921	36	109.0541	0.848	36	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	108.8274	0.426	8	108.8274	0.182	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	109.5739	0.088	8	109.5739	0.008	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3408	0.639	276	109.3408	0.409	276	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	109.3974	0.132	7	109.3974	0.017	7	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	108.9350	0.192	3	108.9350	0.037	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.8105	1.104	21	109.8105	1.218	21	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	109.0178	0.233	10	109.0178	0.054	10	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.5002	0.645	78	108.5002	0.416	78	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCO)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCO)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1483	1.077	12	109.1483	1.161	12	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCP)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCP)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2230	0.099	4	109.2230	0.010	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8520	0.395	11	108.8520	0.156	11	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.8173	0.408	38	108.8173	0.166	38	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	109.3725	0.011	2	109.3725	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[3]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[3]HH)(CHHN)(H)2	H(CCHN)	109.1180	0.000	1	109.1180	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[5,5,3x6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[5,5,3x6]HH)(CHHN)(H)2	H(CCHN)	109.3365	0.009	2	109.3365	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	112.1987	3.339	3	112.1987	11.149	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	108.8010	0.034	2	108.8010	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[6a]CC)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[6a]CC)(CHHN)(H)2	H(CCHN)	109.4528	0.249	4	109.4528	0.062	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CC[6a]C[5]H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CC[6a]C[5]H)(CHHN)(H)2	H(CCHN)	108.7880	0.000	1	108.7880	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8696	0.426	20	108.8696	0.182	20	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.0610	0.041	2	109.0610	0.002	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0262	0.411	30	109.0262	0.169	30	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCS)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCS)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	108.8060	0.044	2	108.8060	0.002	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCW)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCW)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9947	0.391	7	108.9947	0.153	7	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCW)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCW)(H)2	C(CHHN)2(H)2	H(CCHN)	108.7940	0.258	4	108.7940	0.066	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCY)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCY)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	110.4390	0.754	2	110.4390	0.568	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCdC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCdC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0913	0.113	3	109.0913	0.013	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NClS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NClS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.4650	0.000	1	109.4650	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.0029	0.371	52	109.0029	0.138	52	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.3885	0.026	2	109.3885	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.6250	0.033	2	108.6250	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	108.8974	0.308	8	108.8974	0.095	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2176	0.625	170	109.2176	0.390	170	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCoC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCoC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	108.9810	0.011	3	108.9810	0.000	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCoH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCoH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.1915	1.241	4	108.1915	1.540	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCrC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCrC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.0225	0.029	2	109.0225	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCrC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCrC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1040	0.018	2	109.1040	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CBrHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CBrHH)(CHHN)(H)2	H(CCHN)	109.4620	0.011	2	109.4620	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9171	0.898	56	108.9171	0.806	56	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	109.2455	0.119	4	109.2455	0.014	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	109.1620	0.461	4	109.1620	0.213	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.3920	0.000	1	109.3920	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.4092	1.947	264	109.4092	3.790	264	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	109.4610	0.023	4	109.4610	0.001	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	109.2000	0.008	4	109.2000	0.000	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.1897	0.857	12	109.1897	0.735	12	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuN)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCuN)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7920	0.011	3	108.7920	0.000	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NFeC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NFeC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7009	2.161	27	108.7009	4.670	27	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NFeC)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NFeC)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	109.1647	0.409	4	109.1647	0.167	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NFeC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NFeC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.1307	1.231	41	109.1307	1.515	41	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NFeC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NFeC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.0264	0.551	14	109.0264	0.303	14	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NFeC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NFeC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.3989	0.412	8	109.3989	0.170	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NFeC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NFeC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.5108	0.541	215	109.5108	0.293	215	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	112.3600	0.361	2	112.3600	0.130	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2769	2.770	41	109.2769	7.675	41	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	108.2460	0.000	1	108.2460	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2364	0.944	8	109.2364	0.892	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.6598	0.157	4	109.6598	0.025	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.7300	0.059	2	109.7300	0.004	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2003	0.657	22	109.2003	0.432	22	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.6875	0.361	2	109.6875	0.131	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHO)(H)2	C(CC[5,5,6,6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHO)(H)2	C(CC[5,5,6,6]HH)(CHHN)(H)2	H(CCHN)	110.7355	1.162	2	110.7355	1.350	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHP)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHP)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9580	0.014	2	108.9580	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NHP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2594	0.089	5	109.2594	0.008	5	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHP)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NHP)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.9500	0.018	2	108.9500	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHP)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NHP)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9265	0.052	2	108.9265	0.003	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.4898	0.402	25	109.4898	0.162	25	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHS)(H)2	C(CC[5]2C)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHS)(H)2	C(CC[5]2C)(CHHN)(H)2	H(CCHN)	111.4055	2.802	2	111.4055	7.853	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHS)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHS)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	109.6030	0.018	2	109.6030	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NHS)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.3554	0.378	14	109.3554	0.143	14	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	H(CCHN)	109.5211	0.409	20	109.5211	0.168	20	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.2323	0.177	3	109.2323	0.031	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHfC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHfC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7532	0.071	4	108.7532	0.005	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHgC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NHgC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	109.3770	0.028	2	109.3770	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NIrC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NIrC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.4670	0.033	2	109.4670	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NIrH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NIrH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.6815	0.005	2	108.6815	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NIrS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NIrS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	108.6732	0.833	8	108.6732	0.694	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMgC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NMgC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.5170	0.349	9	109.5170	0.122	9	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NMnC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.6791	0.445	8	108.6791	0.198	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnC)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NMnC)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	108.8429	0.250	13	108.8429	0.063	13	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NMnC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.8498	0.132	6	108.8498	0.017	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NMnC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.5461	0.335	16	109.5461	0.112	16	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NMnC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.4404	0.840	280	109.4404	0.705	280	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NMnC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	107.8660	0.035	2	107.8660	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnC)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NMnC)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	109.4377	0.028	3	109.4377	0.001	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMnH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NMnH)(H)2	C(CHHN)2(H)2	H(CCHN)	111.6590	11.268	2	111.6590	126.978	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMoC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NMoC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.3070	0.176	13	109.3070	0.031	13	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NMoC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NMoC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3680	0.292	11	109.3680	0.085	11	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NNiC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.5490	0.917	29	109.5490	0.841	29	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NNiC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8820	0.177	4	108.8820	0.031	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NNiC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.3012	0.186	16	109.3012	0.035	16	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(CCHH)(NNiC)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	108.8492	0.215	6	108.8492	0.046	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NNiC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.5945	0.234	8	108.5945	0.055	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2403	1.073	323	109.2403	1.152	323	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NNiH)(H)2	C(CHHN)2(H)2	H(CCHN)	106.9724	3.255	8	106.9724	10.597	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiP)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NNiP)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3715	0.032	2	109.3715	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NOS)(H)2	C(CC[5,6,6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NOS)(H)2	C(CC[5,6,6]HH)(CHHN)(H)2	H(CCHN)	110.2305	0.989	2	110.2305	0.979	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NOsC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NOsC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.9230	0.479	8	108.9230	0.229	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NOsH)(H)2	C(COsHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NOsH)(H)2	C(COsHH)(CHHN)(H)2	H(CCHN)	112.2680	1.711	2	112.2680	2.928	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPP)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NPP)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.4740	0.054	2	108.4740	0.003	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NPP)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.3240	0.388	6	108.3240	0.151	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NPP)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.6879	0.336	7	108.6879	0.113	7	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPdC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NPdC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3427	1.154	52	109.3427	1.331	52	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPdC)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NPdC)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	109.4115	0.064	2	109.4115	0.004	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPdC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NPdC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2265	0.059	2	109.2265	0.003	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPdC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NPdC)(H)2	C(CHHN)2(H)2	H(CCHN)	108.8735	0.842	21	108.8735	0.709	21	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPdC)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NPdC)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	107.4630	0.000	1	107.4630	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPtC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NPtC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3533	0.464	91	109.3533	0.215	91	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPtC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NPtC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.1655	0.876	2	109.1655	0.768	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPtC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NPtC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1799	0.293	49	109.1799	0.086	49	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPtC)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NPtC)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	108.6900	0.016	2	108.6900	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NReC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NReC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3589	0.119	17	109.3589	0.014	17	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NReC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NReC)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9217	0.293	30	108.9217	0.086	30	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NReC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NReC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	109.4295	0.019	2	109.4295	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NRhC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NRhC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.4796	2.363	22	109.4796	5.582	22	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NRhH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NRhH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	108.6980	0.045	2	108.6980	0.002	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NRhS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NRhS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	108.9300	0.126	2	108.9300	0.016	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NRuC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NRuC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.7232	0.362	11	108.7232	0.131	11	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NRuS)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NRuS)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	108.8685	0.267	2	108.8685	0.071	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSS)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NSS)(H)2	C(CC[6a]CH)(CHHN)(H)2	H(CCHN)	108.9075	0.082	4	108.9075	0.007	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSS)(H)2	C(CC[6a]HN)(CHHN)(H)2	H(CCHN)	C(CCHH)(NSS)(H)2	C(CC[6a]HN)(CHHN)(H)2	H(CCHN)	109.1743	0.112	3	109.1743	0.012	3	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSS)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NSS)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2720	0.000	1	109.2720	0.000	1	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSiC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NSiC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.5491	0.142	8	108.5491	0.020	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSiC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NSiC)(H)2	C(CHHN)2(H)2	H(CCHN)	108.7325	0.025	2	108.7325	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSmC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NSmC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2832	0.081	4	109.2832	0.007	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSnC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NSnC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.9897	0.273	6	108.9897	0.075	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NTiC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NTiC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7122	0.130	4	108.7122	0.017	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NTiC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NTiC)(H)2	C(CHHN)2(H)2	H(CCHN)	108.5297	0.613	6	108.5297	0.376	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NTiS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NTiS)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	109.2410	0.042	2	109.2410	0.002	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NZnC)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.2418	0.174	16	109.2418	0.030	16	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NZnC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2971	0.209	8	109.2971	0.044	8	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NZnC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.0375	0.230	4	109.0375	0.053	4	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1818	0.781	101	109.1818	0.610	101	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NZnC)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	109.1585	0.028	2	109.1585	0.001	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NZnC)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	109.9465	0.011	2	109.9465	0.000	2	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NZnC)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.3265	0.079	6	109.3265	0.006	6	109.1547	1.286	5147	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(NCS)(H)2	C(CHHN)2(H)(I)	H(CCHN)	C(CCHI)(NCS)(H)2	C(CHHN)2(H)(I)	H(CCHN)	108.9073	0.122	13	108.9073	0.015	13	108.9278	0.020	14	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(NCS)(H)2	C(CN[6a]HO)(CHHN)(H)(I)	H(CCHN)	C(CCHI)(NCS)(H)2	C(CN[6a]HO)(CHHN)(H)(I)	H(CCHN)	109.1940	0.000	1	109.1940	0.000	1	108.9278	0.020	14	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:I-1:I-1:	C-4:	C(CCII)(NCH)(H)2	C(CCHH)(CHHN)(I)2	H(CCHN)	C(CCII)(NCH)(H)2	C(CCHH)(CHHN)(I)2	H(CCHN)	109.1875	0.049	2	109.1875	0.002	2	109.1875	0.002	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	109.1949	0.740	27	109.1949	0.548	27	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.1010	0.973	189	109.1010	0.946	189	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	108.9855	0.758	235	108.9855	0.575	235	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.9705	0.919	186	108.9705	0.845	186	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	109.1107	0.828	18	109.1107	0.686	18	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.0356	0.874	138	109.0356	0.765	138	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NCCO)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NCCO)(H)2	H(CCHN)	109.6400	0.013	2	109.6400	0.000	2	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.4403	1.101	186	109.4403	1.212	186	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	109.2774	0.681	74	109.2774	0.463	74	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(CHHN)(NHHW)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(CHHN)(NHHW)(H)2	H(CCHN)	109.2690	0.030	2	109.2690	0.001	2	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NCN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	108.3947	0.055	6	108.3947	0.003	6	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCO)(H)2	C(CHHN)(NCHO)(H)2	H(CCHN)	C(CHHN)(NCO)(H)2	C(CHHN)(NCHO)(H)2	H(CCHN)	109.0025	0.008	2	109.0025	0.000	2	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCoC)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NCoC)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	109.3440	0.000	1	109.3440	0.000	1	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCuC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NCuC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.1760	0.020	4	109.1760	0.000	4	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCuC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NCuC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.4808	0.533	4	109.4808	0.284	4	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NFeC)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	C(CHHN)(NFeC)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	108.3248	0.108	5	108.3248	0.012	5	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NFeC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NFeC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	108.7912	0.578	10	108.7912	0.334	10	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	110.1395	1.436	2	110.1395	2.062	2	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.0563	0.305	7	109.0563	0.093	7	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	109.3822	1.413	41	109.3822	1.998	41	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NHHV)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NHHV)(H)2	H(CCHN)	109.7050	0.041	2	109.7050	0.002	2	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(CHHN)(NHHW)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(CHHN)(NHHW)(H)2	H(CCHN)	109.2930	0.075	2	109.2930	0.006	2	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.1860	0.000	1	109.1860	0.000	1	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.0100	0.151	8	109.0100	0.023	8	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.2863	0.517	26	109.2863	0.267	26	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.0199	0.111	33	109.0199	0.012	33	109.1232	0.824	1211	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CHHO)(NFeC)(H)2	C(CHHN)(OFe3)(H)2	H(CCHN)	C(CHHO)(NFeC)(H)2	C(CHHN)(OFe3)(H)2	H(CCHN)	109.7887	0.054	6	109.7887	0.003	6	109.7887	0.003	6	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NCC)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	C(CHHS)(NCC)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	110.4622	2.048	4	110.4622	4.195	4	109.6127	1.550	15	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	108.4090	0.837	3	108.4090	0.700	3	109.6127	1.550	15	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NCuC)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	C(CHHS)(NCuC)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	109.5918	0.024	4	109.5918	0.001	4	109.6127	1.550	15	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NCuC)(H)2	C(CHHN)(SOOS)(H)2	H(CCHN)	C(CHHS)(NCuC)(H)2	C(CHHN)(SOOS)(H)2	H(CCHN)	110.0240	0.048	2	110.0240	0.002	2	109.6127	1.550	15	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NNiC)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	C(CHHS)(NNiC)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	109.3500	0.059	2	109.3500	0.004	2	109.6127	1.550	15	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(NCS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	H(CCHN)	C(CC[3,6]HH)(NCS)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	H(CCHN)	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(NCC)(H)2	C(C[4,5]C[4,4x5,6]C[4,5,5,6]H)(CHHN)(H)2	H(CCHN)	C(CC[4,5]HH)(NCC)(H)2	C(C[4,5]C[4,4x5,6]C[4,5,5,6]H)(CHHN)(H)2	H(CCHN)	108.3675	0.049	2	108.3675	0.002	2	108.3675	0.002	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(NCC)(H)2	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5,5]HH)(NCC)(H)2	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	H(CCHN)	109.0020	2.643	2	109.0020	6.986	2	109.0020	6.986	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	H(CCHN)	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	H(CCHN)	108.8595	0.035	2	108.8595	0.001	2	109.9752	2.117	14	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	C(CC[5,6]HH)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	111.4497	2.210	4	111.4497	4.883	4	109.9752	2.117	14	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(NCH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	C(CC[5,6]HH)(NCH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	109.5447	0.020	4	109.5447	0.000	4	109.9752	2.117	14	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(NCS)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	C(CC[5,6]HH)(NCS)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	H(CCHN)	109.4760	0.027	2	109.4760	0.001	2	109.9752	2.117	14	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(NHS)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	C(CC[5,6]HH)(NHS)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	109.5020	0.031	2	109.5020	0.001	2	109.9752	2.117	14	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	H(CCHN)	108.5474	0.357	5	108.5474	0.128	5	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	H(CCHN)	108.5650	0.000	1	108.5650	0.000	1	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CCHN)	108.3055	1.123	4	108.3055	1.260	4	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	H(CCHN)	108.7780	0.023	2	108.7780	0.001	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(H)2	H(CCHN)	109.0140	0.051	2	109.0140	0.003	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	H(CCHN)	108.5710	0.013	2	108.5710	0.000	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CCHN)	109.7670	0.028	3	109.7670	0.001	3	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	H(CCHN)	108.4230	0.000	1	108.4230	0.000	1	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	H(CCHN)	109.1743	0.512	4	109.1743	0.262	4	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	H(CCHN)	109.5865	0.029	2	109.5865	0.001	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	H(CCHN)	109.2613	0.463	6	109.2613	0.215	6	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	H(CCHN)	109.9895	2.310	2	109.9895	5.337	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]2Fe)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]2Fe)(CHHN)(H)2	H(CCHN)	109.3530	0.014	2	109.3530	0.000	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(CCHN)	109.9515	0.015	2	109.9515	0.000	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCH)(H)2	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.4480	0.006	2	109.4480	0.000	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	H(CCHN)	108.4015	0.015	2	108.4015	0.000	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCS)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	H(CCHN)	109.2159	0.064	12	109.2159	0.004	12	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NC[6]S)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NC[6]S)(H)2	C(C[5]C[5]2C)(CHHN)(H)2	H(CCHN)	109.1065	0.032	4	109.1065	0.001	4	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NC[6a]C)(H)2	C(C[5]C[5]N[5]O)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NC[6a]C)(H)2	C(C[5]C[5]N[5]O)(CHHN)(H)2	H(CCHN)	109.0130	0.004	2	109.0130	0.000	2	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NIrS)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NIrS)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CCHN)	109.1648	0.220	6	109.1648	0.049	6	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NRhS)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NRhS)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	109.6035	0.802	4	109.6035	0.644	4	109.1306	0.389	70	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:	C(CC[5]HI)(NC[6a]C)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	H(CCHN)	C(CC[5]HI)(NC[6a]C)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	H(CCHN)	108.4433	0.570	4	108.4433	0.325	4	108.4433	0.325	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(NC[6]C)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	H(CCHN)	C(CC[6,6]HH)(NC[6]C)(H)2	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	H(CCHN)	108.4700	0.024	2	108.4700	0.001	2	108.3320	0.026	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(NC[6]O)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CC[6,6]HH)(NC[6]O)(H)2	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	H(CCHN)	108.1940	0.042	2	108.1940	0.002	2	108.3320	0.026	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	109.2690	0.622	2	109.2690	0.387	2	109.7638	1.572	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCH)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	109.0640	0.004	2	109.0640	0.000	2	109.7638	1.572	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCO)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	109.9770	0.085	2	109.9770	0.007	2	109.7638	1.572	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCS)(H)2	C(C[6]C[6]2Cr)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCS)(H)2	C(C[6]C[6]2Cr)(CHHN)(H)2	H(CCHN)	111.8985	2.167	2	111.8985	4.697	2	109.7638	1.572	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC[6a]2)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NC[6a]2)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	108.9645	0.008	2	108.9645	0.000	2	109.7638	1.572	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NRuS)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NRuS)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	109.4095	0.019	2	109.4095	0.000	2	109.7638	1.572	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NAgC)(H)2	C(NAgCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NAgC)(H)2	C(NAgCC)(CHHN)(H)2	H(CCHN)	109.1595	0.323	8	109.1595	0.104	8	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NAlC)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NAlC)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	110.2562	0.258	25	110.2562	0.067	25	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NAlC)(H)2	C(NC[6a]AlC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NAlC)(H)2	C(NC[6a]AlC)(CHHN)(H)2	H(CCHN)	109.7385	0.040	2	109.7385	0.002	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NAlC)(H)2	C(NC[6a]AlH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NAlC)(H)2	C(NC[6a]AlH)(CHHN)(H)2	H(CCHN)	110.3765	0.029	2	110.3765	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NBeH)(H)2	C(NBeHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NBeH)(H)2	C(NBeHH)(CHHN)(H)2	H(CCHN)	114.4200	3.459	2	114.4200	11.966	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	108.6597	0.395	25	108.6597	0.156	25	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	109.0575	0.074	2	109.0575	0.006	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	108.7313	0.430	10	108.7313	0.185	10	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	109.6405	0.052	2	109.6405	0.003	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NGaCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NGaCC)(CHHN)(H)2	H(CCHN)	109.7556	0.255	8	109.7556	0.065	8	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NGeCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NGeCC)(CHHN)(H)2	H(CCHN)	109.7764	0.099	8	109.7764	0.010	8	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NInCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NInCC)(CHHN)(H)2	H(CCHN)	109.0505	0.361	4	109.0505	0.130	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NIn[5]CC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NIn[5]CC)(CHHN)(H)2	H(CCHN)	109.2927	0.041	4	109.2927	0.002	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NIrCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NIrCH)(CHHN)(H)2	H(CCHN)	109.3403	0.323	11	109.3403	0.104	11	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	108.7706	0.550	11	108.7706	0.302	11	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	109.0337	0.545	4	109.0337	0.297	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	106.3955	3.461	4	106.3955	11.976	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	108.5263	0.268	4	108.5263	0.072	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	108.7159	0.560	7	108.7159	0.313	7	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	109.2155	0.437	4	109.2155	0.191	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCC)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCC)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	108.8040	0.000	1	108.8040	0.000	1	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	109.6920	0.048	2	109.6920	0.002	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	109.0310	0.018	2	109.0310	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	111.0670	0.420	2	111.0670	0.176	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NInHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NInHH)(CHHN)(H)2	H(CCHN)	106.7480	0.033	2	106.7480	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	109.2230	0.018	2	109.2230	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	109.1130	0.073	4	109.1130	0.005	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	108.4385	0.021	2	108.4385	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	108.7315	0.026	2	108.7315	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCH)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	108.9580	0.007	2	108.9580	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCP)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCP)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	109.1800	0.112	2	109.1800	0.012	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCP)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCP)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	108.1100	0.059	2	108.1100	0.004	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCS)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCS)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	108.5220	0.454	4	108.5220	0.206	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCaC)(H)2	C(NCaCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCaC)(H)2	C(NCaCC)(CHHN)(H)2	H(CCHN)	110.1021	1.229	14	110.1021	1.511	14	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCdC)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCdC)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	109.6380	0.486	8	109.6380	0.236	8	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCoC)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCoC)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	110.0597	0.448	46	110.0597	0.201	46	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCoC)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCoC)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	110.4605	0.936	70	110.4605	0.876	70	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCoC)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCoC)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	110.7273	0.697	21	110.7273	0.486	21	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCoH)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCoH)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	111.1180	2.749	4	111.1180	7.557	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCoH)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCoH)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	110.3995	0.019	2	110.3995	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCrC)(H)2	C(NC[6a]CrH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCrC)(H)2	C(NC[6a]CrH)(CHHN)(H)2	H(CCHN)	110.4570	0.036	3	110.4570	0.001	3	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCrC)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCrC)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	110.1766	0.291	16	110.1766	0.085	16	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCrC)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCrC)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	110.5027	0.051	3	110.5027	0.003	3	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCuC)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCuC)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	110.0652	0.497	136	110.0652	0.247	136	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCuC)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCuC)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	110.3178	0.953	60	110.3178	0.909	60	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCuC)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCuC)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	110.1685	3.219	8	110.1685	10.362	8	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCuH)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCuH)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	110.3765	1.487	6	110.3765	2.211	6	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCuH)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCuH)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	110.0495	0.045	2	110.0495	0.002	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCuP)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCuP)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	109.7896	0.487	19	109.7896	0.237	19	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NFeC)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NFeC)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	109.9652	1.202	65	109.9652	1.445	65	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NFeC)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NFeC)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	110.1900	0.501	284	110.1900	0.251	284	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NFeC)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NFeC)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	110.1655	0.042	4	110.1655	0.002	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NFeH)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NFeH)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	110.4210	0.024	2	110.4210	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NFeS)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NFeS)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	110.1520	0.222	34	110.1520	0.049	34	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(NBeHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(NBeHH)(CHHN)(H)2	H(CCHN)	108.6397	1.639	8	108.6397	2.685	8	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	108.7025	0.005	2	108.7025	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(NInHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(NInHH)(CHHN)(H)2	H(CCHN)	109.5750	0.162	4	109.5750	0.026	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	108.3345	0.073	2	108.3345	0.005	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	111.3374	3.223	8	111.3374	10.387	8	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHH)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHH)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	108.9870	0.028	2	108.9870	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHP)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHP)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	108.8393	0.194	25	108.8393	0.038	25	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHP)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHP)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	108.3941	0.352	11	108.3941	0.124	11	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHP)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHP)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	108.5540	0.171	4	108.5540	0.029	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHP)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	108.6333	0.517	42	108.6333	0.267	42	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHS)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHS)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	109.0235	0.039	2	109.0235	0.002	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NHgC)(H)2	C(NHgCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NHgC)(H)2	C(NHgCC)(CHHN)(H)2	H(CCHN)	108.9040	0.039	4	108.9040	0.002	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NIrS)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NIrS)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	109.8732	0.571	4	109.8732	0.326	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NLiC)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NLiC)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	110.6490	1.298	6	110.6490	1.684	6	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NMgC)(H)2	C(NMg2C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NMgC)(H)2	C(NMg2C)(CHHN)(H)2	H(CCHN)	109.7733	0.097	3	109.7733	0.009	3	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NMgC)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NMgC)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	109.5440	1.271	19	109.5440	1.616	19	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NMgC)(H)2	C(NMgCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NMgC)(H)2	C(NMgCH)(CHHN)(H)2	H(CCHN)	109.7435	0.018	2	109.7435	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NMnC)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NMnC)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	110.3823	1.451	32	110.3823	2.106	32	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NMnC)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NMnC)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	109.9771	0.306	39	109.9771	0.094	39	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NMnC)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NMnC)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	109.9575	0.020	4	109.9575	0.000	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(NC[6a]NiH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(NC[6a]NiH)(CHHN)(H)2	H(CCHN)	110.6360	0.016	2	110.6360	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	110.3636	0.600	40	110.3636	0.360	40	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	110.2699	0.813	106	110.2699	0.661	106	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiC)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiC)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	110.3126	1.138	26	110.3126	1.295	26	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiH)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiH)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	112.7430	1.803	2	112.7430	3.251	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiH)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiH)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	111.9870	2.977	2	111.9870	8.862	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiP)(H)2	C(NNi2C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiP)(H)2	C(NNi2C)(CHHN)(H)2	H(CCHN)	110.0570	0.033	4	110.0570	0.001	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiP)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NNiP)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	110.2753	0.124	15	110.2753	0.015	15	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NPdC)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NPdC)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	110.2108	0.257	14	110.2108	0.066	14	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NPdC)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NPdC)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	111.0763	1.676	4	111.0763	2.808	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NPdC)(H)2	C(NPdHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NPdC)(H)2	C(NPdHH)(CHHN)(H)2	H(CCHN)	109.9460	0.216	4	109.9460	0.047	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NPdH)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NPdH)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	109.9560	0.040	2	109.9560	0.002	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NPtC)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NPtC)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	110.5142	0.299	16	110.5142	0.090	16	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NReC)(H)2	C(NReCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NReC)(H)2	C(NReCH)(CHHN)(H)2	H(CCHN)	110.0532	0.298	6	110.0532	0.089	6	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NReC)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NReC)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	110.1865	0.011	2	110.1865	0.000	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NRhH)(H)2	C(NRhHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRhH)(H)2	C(NRhHH)(CHHN)(H)2	H(CCHN)	108.9000	0.047	2	108.9000	0.002	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NRuC)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRuC)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	110.3630	0.028	2	110.3630	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NRuC)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRuC)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	109.3020	2.278	2	109.3020	5.191	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NRuH)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRuH)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	110.1890	0.028	2	110.1890	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NRuP)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRuP)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	109.7802	1.050	9	109.7802	1.103	9	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NRuS)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NRuS)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	110.4303	0.553	4	110.4303	0.306	4	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NSnC)(H)2	C(NSn2C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NSnC)(H)2	C(NSn2C)(CHHN)(H)2	H(CCHN)	109.6745	0.033	2	109.6745	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(NC[6a]ZnH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(NC[6a]ZnH)(CHHN)(H)2	H(CCHN)	109.8690	0.000	1	109.8690	0.000	1	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	109.7796	0.727	55	109.7796	0.529	55	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	110.1039	0.578	40	110.1039	0.334	40	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NZnC)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NZnC)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	110.0335	0.029	2	110.0335	0.001	2	109.9717	0.975	1572	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(NCuC)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[4]HH)(NCuC)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	110.0865	0.018	2	110.0865	0.000	2	111.3275	2.440	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(NNiC)(H)2	C(N[4]C[4]2Ni)(CHHN)(H)2	H(CCHN)	C(CN[4]HH)(NNiC)(H)2	C(N[4]C[4]2Ni)(CHHN)(H)2	H(CCHN)	112.5685	1.077	2	112.5685	1.160	2	111.3275	2.440	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	H(CCHN)	110.1253	0.042	3	110.1253	0.002	3	109.5765	0.207	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	H(CCHN)	109.3690	0.348	4	109.3690	0.121	4	109.5765	0.207	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5,5]HH)(NCC)(H)2	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	H(CCHN)	109.0345	0.012	2	109.0345	0.000	2	109.5765	0.207	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(NHH)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5,5]HH)(NHH)(H)2	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	H(CCHN)	109.7100	0.004	2	109.7100	0.000	2	109.5765	0.207	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5,6]-4:C-4:H-1:H-1:	C-4:	C(CN[5,6]HH)(NCC)(H)2	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	H(CCHN)	C(CN[5,6]HH)(NCC)(H)2	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	H(CCHN)	109.3195	0.030	2	109.3195	0.001	2	109.3195	0.001	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	H(CCHN)	109.3132	0.164	6	109.3132	0.027	6	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5]C[5]C)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCC)(H)2	C(N[5]In[5]C[5]C)(CHHN)(H)2	H(CCHN)	109.0845	0.071	4	109.0845	0.005	4	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCC)(H)2	C(N[5]Si[5]C[5]C)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCC)(H)2	C(N[5]Si[5]C[5]C)(CHHN)(H)2	H(CCHN)	109.7810	0.046	4	109.7810	0.002	4	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCdC)(H)2	C(N[5]C[5]2Cd)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCdC)(H)2	C(N[5]C[5]2Cd)(CHHN)(H)2	H(CCHN)	109.8140	0.006	2	109.8140	0.000	2	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCuC)(H)2	C(N[5]C[5]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCuC)(H)2	C(N[5]C[5]2Cu)(CHHN)(H)2	H(CCHN)	110.3908	0.090	12	110.3908	0.008	12	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NFeC)(H)2	C(N[5]C[5]2Fe)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NFeC)(H)2	C(N[5]C[5]2Fe)(CHHN)(H)2	H(CCHN)	110.5350	0.000	1	110.5350	0.000	1	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NMgC)(H)2	C(N[5]C[5]2Mg)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NMgC)(H)2	C(N[5]C[5]2Mg)(CHHN)(H)2	H(CCHN)	110.0373	0.081	3	110.0373	0.006	3	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NMnC)(H)2	C(N[5]C[5]2H)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NMnC)(H)2	C(N[5]C[5]2H)(CHHN)(H)2	H(CCHN)	109.6683	0.319	3	109.6683	0.102	3	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NMnC)(H)2	C(N[5]C[5]2Mn)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NMnC)(H)2	C(N[5]C[5]2Mn)(CHHN)(H)2	H(CCHN)	109.9443	0.244	13	109.9443	0.060	13	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NNiC)(H)2	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NNiC)(H)2	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CCHN)	109.9914	0.136	24	109.9914	0.019	24	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NReC)(H)2	C(N[5]C[5]2Re)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NReC)(H)2	C(N[5]C[5]2Re)(CHHN)(H)2	H(CCHN)	108.8115	0.148	2	108.8115	0.022	2	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NZnC)(H)2	C(N[5]C[5]2Zn)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NZnC)(H)2	C(N[5]C[5]2Zn)(CHHN)(H)2	H(CCHN)	110.0454	0.330	23	110.0454	0.109	23	109.9283	0.160	97	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	109.2975	0.060	2	109.2975	0.004	2	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	H(CCHN)	109.4420	0.087	9	109.4420	0.008	9	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	H(CCHN)	109.5165	0.047	4	109.5165	0.002	4	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCC)(H)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCC)(H)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	H(CCHN)	108.9545	0.653	4	108.9545	0.426	4	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCH)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	109.3155	0.104	2	109.3155	0.011	2	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[5]Fe)(H)2	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[5]Fe)(H)2	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CCHN)	110.0283	0.053	3	110.0283	0.003	3	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2Al)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NC[6a]H)(H)2	C(N[6]C[6]2Al)(CHHN)(H)2	H(CCHN)	110.1520	0.000	1	110.1520	0.000	1	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCdC)(H)2	C(N[6]C[6]2Cd)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCdC)(H)2	C(N[6]C[6]2Cd)(CHHN)(H)2	H(CCHN)	109.9824	0.131	8	109.9824	0.017	8	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCoC)(H)2	C(N[6]C[6]2Co)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCoC)(H)2	C(N[6]C[6]2Co)(CHHN)(H)2	H(CCHN)	110.0692	0.028	4	110.0692	0.001	4	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCuC)(H)2	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCuC)(H)2	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CCHN)	109.7392	1.288	14	109.7392	1.659	14	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NFeC)(H)2	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NFeC)(H)2	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CCHN)	111.5035	0.763	2	111.5035	0.582	2	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NMnC)(H)2	C(N[6]C[6]2Mn)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NMnC)(H)2	C(N[6]C[6]2Mn)(CHHN)(H)2	H(CCHN)	109.9766	0.363	5	109.9766	0.132	5	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NNiC)(H)2	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NNiC)(H)2	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CCHN)	110.0336	0.276	43	110.0336	0.076	43	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NZnC)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NZnC)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	109.7081	0.196	10	109.7081	0.039	10	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NZnC)(H)2	C(N[6]C[6]2Zn)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NZnC)(H)2	C(N[6]C[6]2Zn)(CHHN)(H)2	H(CCHN)	110.2031	0.094	12	110.2031	0.009	12	109.8916	0.355	123	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CHHO)(NCC)(H)2	C(OLi2Sn)(CHHN)(H)2	H(CCHN)	C(CHHO)(NCC)(H)2	C(OLi2Sn)(CHHN)(H)2	H(CCHN)	108.8810	0.016	2	108.8810	0.000	2	108.8810	0.000	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NBC)(H)2	C(PC[6]2B)(CHHN)(H)2	H(CCHN)	C(CHHP)(NBC)(H)2	C(PC[6]2B)(CHHN)(H)2	H(CCHN)	108.8945	0.507	4	108.8945	0.257	4	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	108.7776	0.123	14	108.7776	0.015	14	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCC)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCC)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	107.9175	0.021	2	107.9175	0.000	2	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCC)(H)2	C(PPtCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCC)(H)2	C(PPtCC)(CHHN)(H)2	H(CCHN)	109.1868	0.188	4	109.1868	0.035	4	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCH)(H)2	C(PC[6]2B)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCH)(H)2	C(PC[6]2B)(CHHN)(H)2	H(CCHN)	110.2860	0.173	4	110.2860	0.030	4	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCH)(H)2	C(PC[6a]2Au)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCH)(H)2	C(PC[6a]2Au)(CHHN)(H)2	H(CCHN)	109.5295	0.018	2	109.5295	0.000	2	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCH)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCH)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	109.1653	0.387	15	109.1653	0.150	15	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCH)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCH)(H)2	C(PC[6a]2Pt)(CHHN)(H)2	H(CCHN)	109.1341	0.522	35	109.1341	0.273	35	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCoC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCoC)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	109.7350	0.045	8	109.7350	0.002	8	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NCoC)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NCoC)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	109.3260	0.224	21	109.3260	0.050	21	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NFeC)(H)2	C(PC[6]2Fe)(CHHN)(H)2	H(CCHN)	C(CHHP)(NFeC)(H)2	C(PC[6]2Fe)(CHHN)(H)2	H(CCHN)	109.4163	0.067	3	109.4163	0.004	3	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NFeC)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	C(CHHP)(NFeC)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	111.1189	1.542	11	111.1189	2.379	11	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NFeC)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NFeC)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	109.3151	0.065	7	109.3151	0.004	7	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NIrC)(H)2	C(PIrCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NIrC)(H)2	C(PIrCC)(CHHN)(H)2	H(CCHN)	109.3007	0.072	7	109.3007	0.005	7	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NMnC)(H)2	C(PMnCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NMnC)(H)2	C(PMnCC)(CHHN)(H)2	H(CCHN)	109.2884	0.039	5	109.2884	0.002	5	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NNiC)(H)2	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHN)	C(CHHP)(NNiC)(H)2	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHN)	109.7502	0.206	5	109.7502	0.042	5	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NNiC)(H)2	C(PNiCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NNiC)(H)2	C(PNiCC)(CHHN)(H)2	H(CCHN)	109.4512	0.218	18	109.4512	0.047	18	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NOsC)(H)2	C(PC[6a]2Os)(CHHN)(H)2	H(CCHN)	C(CHHP)(NOsC)(H)2	C(PC[6a]2Os)(CHHN)(H)2	H(CCHN)	110.4057	1.913	4	110.4057	3.660	4	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NPdC)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	C(CHHP)(NPdC)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	110.0482	0.168	13	110.0482	0.028	13	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NPdC)(H)2	C(PPdCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NPdC)(H)2	C(PPdCC)(CHHN)(H)2	H(CCHN)	109.4389	0.105	7	109.4389	0.011	7	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NReC)(H)2	C(PReCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NReC)(H)2	C(PReCC)(CHHN)(H)2	H(CCHN)	108.9890	0.095	4	108.9890	0.009	4	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NRuC)(H)2	C(PC[3x6]2Ru)(CHHN)(H)2	H(CCHN)	C(CHHP)(NRuC)(H)2	C(PC[3x6]2Ru)(CHHN)(H)2	H(CCHN)	108.6358	0.109	4	108.6358	0.012	4	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NRuC)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	C(CHHP)(NRuC)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	109.5730	0.368	12	109.5730	0.135	12	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NRuC)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NRuC)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	109.2638	0.560	5	109.2638	0.313	5	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NSiC)(H)2	C(PGaCC)(CHHN)(H)2	H(CCHN)	C(CHHP)(NSiC)(H)2	C(PGaCC)(CHHN)(H)2	H(CCHN)	109.0280	0.024	2	109.0280	0.001	2	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NTcC)(H)2	C(PC[6a]2Tc)(CHHN)(H)2	H(CCHN)	C(CHHP)(NTcC)(H)2	C(PC[6a]2Tc)(CHHN)(H)2	H(CCHN)	109.7337	0.061	3	109.7337	0.004	3	109.4320	0.540	219	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(NCH)(H)2	C(SC[6a]OO)(CHHN)(H)2	H(CCHN)	C(CHHS)(NCH)(H)2	C(SC[6a]OO)(CHHN)(H)2	H(CCHN)	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(NCH)(H)2	C(SiC[6a]CC)(CHHN)(H)2	H(CCHN)	C(CSiHH)(NCH)(H)2	C(SiC[6a]CC)(CHHN)(H)2	H(CCHN)	108.7895	0.152	4	108.7895	0.023	4	108.7895	0.023	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	H(CN[5]CH)	109.4215	1.910	2	109.4215	3.648	2	109.2168	1.272	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	H(CN[5]CH)	109.0120	0.006	2	109.0120	0.000	2	109.2168	1.272	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(N[5]C[5]2)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[5,6]HH)(N[5]C[5]2)(H)2	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.8075	0.021	2	108.8075	0.000	2	108.8075	0.000	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N[6]-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(N[6]C[6]2)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	C(CC[5,6]HH)(N[6]C[6]2)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	H(CN[6]CH)	107.6014	0.409	11	107.6014	0.167	11	107.6014	0.167	11	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:N[6]-3:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(N[6]C[6]2)(H)2	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	H(CN[6]CH)	C(CN[3x6]HH)(N[6]C[6]2)(H)2	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	H(CN[6]CH)	108.5648	0.104	4	108.5648	0.011	4	108.5648	0.011	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OAl2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OAl2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	108.8555	0.019	2	108.8555	0.000	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OBeC)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OBeC)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	111.6730	2.548	4	111.6730	6.494	4	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OCoH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OCoH)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	107.4145	1.036	4	107.4145	1.072	4	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OCu2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OCu2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.1780	0.000	1	109.1780	0.000	1	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OCuH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OCuH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	110.0063	0.018	3	110.0063	0.000	3	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OFe2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OFe2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	108.9736	0.296	7	108.9736	0.087	7	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OFe2)(H)2	C(CHHO)2(H)2	H(CCHO)	C(CCHH)(OFe2)(H)2	C(CHHO)2(H)2	H(CCHO)	108.5246	0.604	7	108.5246	0.365	7	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OFeC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OFeC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.4603	0.117	4	109.4603	0.014	4	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OGa2)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OGa2)(H)2	C(CN[5]HH)(CHHO)(H)2	H(CCHO)	109.4135	0.037	2	109.4135	0.001	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OIrC)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OIrC)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	108.8570	0.024	2	108.8570	0.001	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMg2)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(CCHH)(OMg2)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	108.5230	0.623	4	108.5230	0.388	4	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMgC)(H)2	C(CHHO)2(H)2	H(CCHO)	C(CCHH)(OMgC)(H)2	C(CHHO)2(H)2	H(CCHO)	109.5073	0.048	7	109.5073	0.002	7	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMn2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OMn2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.3858	0.252	4	109.3858	0.063	4	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMnH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OMnH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	113.2045	0.076	2	113.2045	0.006	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMo2)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	C(CCHH)(OMo2)(H)2	C(CHHO)(CHHS)(H)2	H(CCHO)	108.8640	0.057	2	108.8640	0.003	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ONi2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(ONi2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.3858	0.120	4	109.3858	0.014	4	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ONiC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(ONiC)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.4580	0.004	2	109.4580	0.000	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ONiH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(ONiH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	109.7243	0.045	3	109.7243	0.002	3	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ORu2)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	C(CCHH)(ORu2)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CCHO)	108.7025	2.345	4	108.7025	5.500	4	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OSn2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OSn2)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	107.8560	0.940	2	107.8560	0.884	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OVV)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OVV)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	109.2315	0.033	2	109.2315	0.001	2	109.2648	1.805	72	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OCW)(H)2	C(CHHO)(NCCW)(H)2	H(CCHO)	C(CHHN)(OCW)(H)2	C(CHHO)(NCCW)(H)2	H(CCHO)	110.3820	0.000	1	110.3820	0.000	1	110.1278	3.340	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OCoH)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	C(CHHN)(OCoH)(H)2	C(CHHO)(NH3)(H)2	H(CCHO)	111.3005	2.676	2	111.3005	7.163	2	110.1278	3.340	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(OZnH)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	C(CHHN)(OZnH)(H)2	C(CHHO)(NC3)(H)2	H(CCHO)	108.8280	0.037	2	108.8280	0.001	2	110.1278	3.340	5	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CHHO)(OMnC)(H)2	C(CHHO)(OMn3)(H)2	H(CCHO)	C(CHHO)(OMnC)(H)2	C(CHHO)(OMn3)(H)2	H(CCHO)	110.2340	0.054	8	110.2340	0.003	8	110.2340	0.003	8	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OEuC)(H)2	C(C[5]C[5,6]C[5]Eu)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OEuC)(H)2	C(C[5]C[5,6]C[5]Eu)(CHHO)(H)2	H(CCHO)	107.5376	1.495	8	107.5376	2.234	8	108.4609	2.888	13	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OTiC)(H)2	C(C[5]C[5,6]C[5]Ti)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OTiC)(H)2	C(C[5]C[5,6]C[5]Ti)(CHHO)(H)2	H(CCHO)	110.2920	0.014	2	110.2920	0.000	2	108.4609	2.888	13	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OTiC)(H)2	C(C[5]C[5]2Ti)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OTiC)(H)2	C(C[5]C[5]2Ti)(CHHO)(H)2	H(CCHO)	110.4610	0.000	1	110.4610	0.000	1	108.4609	2.888	13	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OZrC)(H)2	C(C[5]C[5]2Zr)(CHHO)(H)2	H(CCHO)	C(CC[5]HH)(OZrC)(H)2	C(C[5]C[5]2Zr)(CHHO)(H)2	H(CCHO)	109.3230	0.030	2	109.3230	0.001	2	108.4609	2.888	13	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OAl2)(H)2	C(NAlCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OAl2)(H)2	C(NAlCC)(CHHO)(H)2	H(CCHO)	110.2865	0.267	16	110.2865	0.071	16	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OAl2)(H)2	C(NAlHH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OAl2)(H)2	C(NAlHH)(CHHO)(H)2	H(CCHO)	110.0330	0.585	2	110.0330	0.343	2	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OBaC)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OBaC)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	110.0002	1.486	25	110.0002	2.209	25	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OBaH)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OBaH)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	109.8830	0.000	1	109.8830	0.000	1	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCaC)(H)2	C(NCaCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCaC)(H)2	C(NCaCC)(CHHO)(H)2	H(CCHO)	108.7905	6.789	9	108.7905	46.097	9	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCaH)(H)2	C(NCaCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCaH)(H)2	C(NCaCC)(CHHO)(H)2	H(CCHO)	112.0104	1.685	18	112.0104	2.839	18	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCdH)(H)2	C(NCdCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCdH)(H)2	C(NCdCC)(CHHO)(H)2	H(CCHO)	110.1380	0.256	8	110.1380	0.066	8	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCo2)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCo2)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	110.1885	0.453	17	110.1885	0.205	17	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCo2)(H)2	C(NCoCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCo2)(H)2	C(NCoCH)(CHHO)(H)2	H(CCHO)	110.2237	0.511	11	110.2237	0.262	11	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCoC)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCoC)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	110.5180	0.131	10	110.5180	0.017	10	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCoH)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCoH)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	109.8310	0.468	40	109.8310	0.219	40	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCr2)(H)2	C(NCrCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCr2)(H)2	C(NCrCC)(CHHO)(H)2	H(CCHO)	110.3836	0.182	11	110.3836	0.033	11	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCr2)(H)2	C(NCrCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCr2)(H)2	C(NCrCH)(CHHO)(H)2	H(CCHO)	110.0873	0.078	3	110.0873	0.006	3	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCrH)(H)2	C(NCrCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCrH)(H)2	C(NCrCC)(CHHO)(H)2	H(CCHO)	110.2258	0.168	12	110.2258	0.028	12	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCu2)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCu2)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	109.8486	0.378	9	109.8486	0.143	9	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCuC)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCuC)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	110.7710	0.144	12	110.7710	0.021	12	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCuH)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCuH)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	109.9197	0.474	16	109.9197	0.225	16	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCuH)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCuH)(H)2	C(NCuCH)(CHHO)(H)2	H(CCHO)	110.0112	0.427	6	110.0112	0.183	6	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFe2)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OFe2)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	109.9267	1.069	178	109.9267	1.143	178	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFe2)(H)2	C(NFeHH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OFe2)(H)2	C(NFeHH)(CHHO)(H)2	H(CCHO)	110.4115	0.009	2	110.4115	0.000	2	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFeC)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OFeC)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	110.4038	0.201	18	110.4038	0.040	18	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFeH)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OFeH)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	110.3244	0.457	5	110.3244	0.209	5	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFeY)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OFeY)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	109.6497	0.187	3	109.6497	0.035	3	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OIrC)(H)2	C(NIrCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OIrC)(H)2	C(NIrCC)(CHHO)(H)2	H(CCHO)	110.2087	0.452	6	110.2087	0.205	6	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OLiC)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OLiC)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	110.2079	0.571	58	110.2079	0.326	58	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OLiC)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OLiC)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	109.2893	0.047	4	109.2893	0.002	4	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OLiH)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OLiH)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	109.7160	0.389	5	109.7160	0.151	5	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMg2)(H)2	C(NMgHH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMg2)(H)2	C(NMgHH)(CHHO)(H)2	H(CCHO)	109.6090	0.093	4	109.6090	0.009	4	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMgC)(H)2	C(NMgCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMgC)(H)2	C(NMgCC)(CHHO)(H)2	H(CCHO)	111.0280	1.214	8	111.0280	1.474	8	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMgH)(H)2	C(NMgCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMgH)(H)2	C(NMgCC)(CHHO)(H)2	H(CCHO)	110.2190	0.046	4	110.2190	0.002	4	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMn2)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMn2)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	109.7340	0.608	76	109.7340	0.370	76	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMnC)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMnC)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	110.3151	0.175	8	110.3151	0.031	8	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMnC)(H)2	C(NMnCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMnC)(H)2	C(NMnCH)(CHHO)(H)2	H(CCHO)	110.3883	0.258	21	110.3883	0.066	21	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMnH)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMnH)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	110.0217	0.271	11	110.0217	0.073	11	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMnH)(H)2	C(NMnCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMnH)(H)2	C(NMnCH)(CHHO)(H)2	H(CCHO)	109.5975	0.069	4	109.5975	0.005	4	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONi2)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONi2)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	109.6523	0.173	4	109.6523	0.030	4	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONi2)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONi2)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	109.5625	0.016	2	109.5625	0.000	2	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONiC)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONiC)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	110.2129	0.889	28	110.2129	0.790	28	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONiC)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONiC)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	110.3163	0.187	6	110.3163	0.035	6	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONiC)(H)2	C(NNiHH)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONiC)(H)2	C(NNiHH)(CHHO)(H)2	H(CCHO)	110.7750	0.062	4	110.7750	0.004	4	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONiH)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONiH)(H)2	C(NNiCC)(CHHO)(H)2	H(CCHO)	109.7545	0.270	67	109.7545	0.073	67	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONiH)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONiH)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	109.8637	0.555	17	109.8637	0.308	17	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONiH)(H)2	C(NNiHH)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONiH)(H)2	C(NNiHH)(CHHO)(H)2	H(CCHO)	109.9205	0.620	4	109.9205	0.384	4	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OSmC)(H)2	C(NSmCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OSmC)(H)2	C(NSmCC)(CHHO)(H)2	H(CCHO)	110.1572	0.255	20	110.1572	0.065	20	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OSn2)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OSn2)(H)2	C(NSnCC)(CHHO)(H)2	H(CCHO)	109.9335	0.626	19	109.9335	0.392	19	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OSrC)(H)2	C(NSrCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OSrC)(H)2	C(NSrCC)(CHHO)(H)2	H(CCHO)	108.4820	4.864	6	108.4820	23.658	6	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OTiC)(H)2	C(NTiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OTiC)(H)2	C(NTiCC)(CHHO)(H)2	H(CCHO)	110.4590	0.023	2	110.4590	0.001	2	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OZn2)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OZn2)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	109.8378	0.207	9	109.8378	0.043	9	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OZn2)(H)2	C(NZnCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OZn2)(H)2	C(NZnCH)(CHHO)(H)2	H(CCHO)	109.7160	0.047	2	109.7160	0.002	2	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OZnC)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OZnC)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	110.4100	0.031	2	110.4100	0.001	2	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OZnH)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OZnH)(H)2	C(NZnCC)(CHHO)(H)2	H(CCHO)	110.2276	1.643	13	110.2276	2.700	13	110.0416	1.308	846	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OAl2)(H)2	C(N[6]C[6]2Al)(CHHO)(H)2	H(CCHO)	C(CN[6]HH)(OAl2)(H)2	C(N[6]C[6]2Al)(CHHO)(H)2	H(CCHO)	108.7488	3.405	4	108.7488	11.593	4	108.7488	11.593	4	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CHHO)(OSrC)(H)2	C(OSrCH)(CHHO)(H)2	H(CCHO)	C(CHHO)(OSrC)(H)2	C(OSrCH)(CHHO)(H)2	H(CCHO)	110.0700	6.220	2	110.0700	38.685	2	110.0700	38.685	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(OPdC)(H)2	C(PC[3x6]2Pd)(CHHO)(H)2	H(CCHO)	C(CHHP)(OPdC)(H)2	C(PC[3x6]2Pd)(CHHO)(H)2	H(CCHO)	110.1135	0.054	2	110.1135	0.003	2	110.1310	0.166	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(ORuC)(H)2	C(PC[6]2Ru)(CHHO)(H)2	H(CCHO)	C(CHHP)(ORuC)(H)2	C(PC[6]2Ru)(CHHO)(H)2	H(CCHO)	110.4670	0.051	8	110.4670	0.003	8	110.1310	0.166	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(ORuC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHO)	C(CHHP)(ORuC)(H)2	C(PC[6a]2Ru)(CHHO)(H)2	H(CCHO)	109.3702	0.064	4	109.3702	0.004	4	110.1310	0.166	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:O-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(ORuC)(H)2	C(PRuCC)(CHHO)(H)2	H(CCHO)	C(CHHP)(ORuC)(H)2	C(PRuCC)(CHHO)(H)2	H(CCHO)	110.1797	0.171	8	110.1797	0.029	8	110.1310	0.166	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.6024	0.518	25	109.6024	0.269	25	109.5873	0.993	37	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCC)(H)2	C(CFHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PCC)(H)2	C(CFHH)(CHHP)(H)2	H(CCHP)	108.1430	0.038	2	108.1430	0.001	2	109.5873	0.993	37	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCC)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(CCHH)(PCC)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	109.2778	1.948	6	109.2778	3.796	6	109.5873	0.993	37	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCC)(H)2	C(CHHP)2(H)2	H(CCHP)	C(CCHH)(PCC)(H)2	C(CHHP)2(H)2	H(CCHP)	110.6790	0.512	4	110.6790	0.262	4	109.5873	0.993	37	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCI)(H)2	C(CHHP)(PCCI)(H)2	H(CCHP)	C(CHHP)(PCI)(H)2	C(CHHP)(PCCI)(H)2	H(CCHP)	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PCC)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PCC)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	108.8883	0.135	6	108.8883	0.018	6	108.8179	0.227	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PCW)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PCW)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	108.3932	0.529	4	108.3932	0.280	4	108.8179	0.227	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5,6a]2H)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5,6a]2H)(CHHP)(H)2	H(CCHP)	109.4560	0.044	2	109.4560	0.002	2	108.8179	0.227	12	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(PCC)(H)2	C(NAlSiC)(CHHP)(H)2	H(CCHP)	C(CHHN)(PCC)(H)2	C(NAlSiC)(CHHP)(H)2	H(CCHP)	109.1335	0.009	2	109.1335	0.000	2	108.9118	0.351	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(PCC)(H)2	C(NCoSiC)(CHHP)(H)2	H(CCHP)	C(CHHN)(PCC)(H)2	C(NCoSiC)(CHHP)(H)2	H(CCHP)	109.3605	0.040	2	109.3605	0.002	2	108.9118	0.351	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(PCC)(H)2	C(NCrSiC)(CHHP)(H)2	H(CCHP)	C(CHHN)(PCC)(H)2	C(NCrSiC)(CHHP)(H)2	H(CCHP)	108.7222	0.801	11	108.7222	0.642	11	108.9118	0.351	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(PCC)(H)2	C(NFeSiC)(CHHP)(H)2	H(CCHP)	C(CHHN)(PCC)(H)2	C(NFeSiC)(CHHP)(H)2	H(CCHP)	109.2295	0.005	2	109.2295	0.000	2	108.9118	0.351	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(PCC)(H)2	C(NSiTiC)(CHHP)(H)2	H(CCHP)	C(CHHN)(PCC)(H)2	C(NSiTiC)(CHHP)(H)2	H(CCHP)	109.0433	0.122	4	109.0433	0.015	4	108.9118	0.351	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(PCC)(H)2	C(NSiZrC)(CHHP)(H)2	H(CCHP)	C(CHHN)(PCC)(H)2	C(NSiZrC)(CHHP)(H)2	H(CCHP)	108.7040	0.010	2	108.7040	0.000	2	108.9118	0.351	23	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(PCC)(H)2	C(PGeCC)(CHHP)(H)2	H(CCHP)	C(CHHP)(PCC)(H)2	C(PGeCC)(CHHP)(H)2	H(CCHP)	109.3705	0.090	2	109.3705	0.008	2	109.3943	0.227	30	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(PCC)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	C(CHHP)(PCC)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	109.1261	0.225	17	109.1261	0.051	17	109.3943	0.227	30	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(PPdC)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	C(CHHP)(PPdC)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	109.4595	0.012	2	109.4595	0.000	2	109.3943	0.227	30	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(PPtC)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	C(CHHP)(PPtC)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	109.4875	0.052	2	109.4875	0.003	2	109.3943	0.227	30	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(PThC)(H)2	C(PThCC)(CHHP)(H)2	H(CCHP)	C(CHHP)(PThC)(H)2	C(PThCC)(CHHP)(H)2	H(CCHP)	110.0074	0.560	7	110.0074	0.313	7	109.3943	0.227	30	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:Cl-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SC[6a]O)(Cl)(H)	C(C[5]O[5]2H)(CClHS)(H)2	H(CClCS)	C(CC[5]HH)(SC[6a]O)(Cl)(H)	C(C[5]O[5]2H)(CClHS)(H)2	H(CClCS)	111.6965	4.687	2	111.6965	21.972	2	111.6965	21.972	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.0494	0.562	17	109.0494	0.316	17	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCN)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCN)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.4805	0.026	4	109.4805	0.001	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCO)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCO)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.8405	0.015	2	109.8405	0.000	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCO)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SCO)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.8190	0.011	2	109.8190	0.000	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCS)(H)2	C(CHHS)(CF3)(H)2	H(CCHS)	C(CCHH)(SCS)(H)2	C(CHHS)(CF3)(H)2	H(CCHS)	109.9860	0.014	2	109.9860	0.000	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCW)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SCW)(H)2	C(CHHS)2(H)2	H(CCHS)	108.3680	0.742	7	108.3680	0.551	7	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCo2)(H)2	C(CCoHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCo2)(H)2	C(CCoHH)(CHHS)(H)2	H(CCHS)	109.1105	0.153	4	109.1105	0.024	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCoC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCoC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.1580	0.024	4	109.1580	0.001	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCoC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCoC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.2305	1.385	2	108.2305	1.919	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCoC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SCoC)(H)2	C(CHHS)2(H)2	H(CCHS)	109.5356	0.309	8	109.5356	0.095	8	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCu2)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCu2)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	108.2730	0.033	2	108.2730	0.001	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCuC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCuC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	108.2093	0.665	9	108.2093	0.443	9	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCuC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCuC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	107.9955	0.341	12	107.9955	0.116	12	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCuC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SCuC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	108.9534	0.395	10	108.9534	0.156	10	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCuC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SCuC)(H)2	C(CHHS)2(H)2	H(CCHS)	108.7023	1.739	10	108.7023	3.026	10	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SEr2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SEr2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	105.4470	0.086	2	105.4470	0.007	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SFe2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SFe2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.3728	0.258	24	109.3728	0.066	24	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SFe2)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SFe2)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.4525	0.013	2	109.4525	0.000	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SFe2)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SFe2)(H)2	C(CHHS)2(H)2	H(CCHS)	108.2421	0.649	295	108.2421	0.421	295	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SFeC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SFeC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.8990	1.079	5	108.8990	1.164	5	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SFeC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SFeC)(H)2	C(CHHS)2(H)2	H(CCHS)	108.0750	0.050	4	108.0750	0.003	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SHgC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SHgC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	110.5950	2.962	4	110.5950	8.771	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SIr2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SIr2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.3090	0.008	2	109.3090	0.000	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SIrC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SIrC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.4341	0.367	10	108.4341	0.135	10	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMg2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SMg2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.1820	0.000	1	109.1820	0.000	1	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMn2)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SMn2)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.7465	0.559	2	109.7465	0.313	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMo2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SMo2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.9435	0.046	2	108.9435	0.002	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMo2)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SMo2)(H)2	C(CHHS)2(H)2	H(CCHS)	109.3175	0.196	4	109.3175	0.038	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMoC)(H)2	C(CHHO)(CHHS)(H)2	H(CCHS)	C(CCHH)(SMoC)(H)2	C(CHHO)(CHHS)(H)2	H(CCHS)	109.3090	0.017	4	109.3090	0.000	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMoC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SMoC)(H)2	C(CHHS)2(H)2	H(CCHS)	107.8829	0.047	8	107.8829	0.002	8	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMoW)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SMoW)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.4448	0.426	12	109.4448	0.181	12	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNi2)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SNi2)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	109.7880	1.471	4	109.7880	2.163	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNi2)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SNi2)(H)2	C(CHHS)2(H)2	H(CCHS)	108.5855	0.357	36	108.5855	0.127	36	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNiC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SNiC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	107.8806	0.273	8	107.8806	0.075	8	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNiC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SNiC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.9031	0.674	16	108.9031	0.454	16	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNiC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SNiC)(H)2	C(CHHS)2(H)2	H(CCHS)	109.4092	0.149	15	109.4092	0.022	15	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPd2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SPd2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.4521	0.386	11	109.4521	0.149	11	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPd2)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SPd2)(H)2	C(CHHS)2(H)2	H(CCHS)	108.0779	0.442	11	108.0779	0.195	11	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPdC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SPdC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.6074	0.462	11	108.6074	0.214	11	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPdC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SPdC)(H)2	C(CHHS)2(H)2	H(CCHS)	108.4227	0.645	32	108.4227	0.415	32	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPdC)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SPdC)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	109.9550	0.014	2	109.9550	0.000	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPtC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SPtC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	108.3193	0.212	6	108.3193	0.045	6	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPtC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SPtC)(H)2	C(CHHS)2(H)2	H(CCHS)	107.6410	0.607	4	107.6410	0.368	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPtC)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SPtC)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	109.2645	0.170	4	109.2645	0.029	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SPtC)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SPtC)(H)2	C(CN[5a]HH)(CHHS)(H)2	H(CCHS)	107.5860	0.020	2	107.5860	0.000	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRe2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SRe2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.4627	0.227	4	108.4627	0.052	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRe2)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SRe2)(H)2	C(CHHS)2(H)2	H(CCHS)	108.9650	0.895	4	108.9650	0.801	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SReC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SReC)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.6640	0.051	2	109.6640	0.003	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SReC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SReC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	109.2873	1.105	6	109.2873	1.222	6	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SReC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SReC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.2078	0.246	6	109.2078	0.061	6	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRh2)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SRh2)(H)2	C(CHHS)2(H)2	H(CCHS)	108.2380	0.194	4	108.2380	0.038	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRh2)(H)2	C(CSiHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SRh2)(H)2	C(CSiHH)(CHHS)(H)2	H(CCHS)	109.6607	0.169	6	109.6607	0.028	6	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRhC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SRhC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.3683	0.162	3	108.3683	0.026	3	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRhC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SRhC)(H)2	C(CHHS)2(H)2	H(CCHS)	109.2037	0.255	15	109.2037	0.065	15	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRu2)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SRu2)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	108.7538	0.933	6	108.7538	0.871	6	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRu2)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SRu2)(H)2	C(CHHS)2(H)2	H(CCHS)	108.4822	0.123	4	108.4822	0.015	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRuC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SRuC)(H)2	C(CCHN)(CHHS)(H)2	H(CCHS)	108.7125	0.366	4	108.7125	0.134	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRuC)(H)2	C(CC[5]RuH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SRuC)(H)2	C(CC[5]RuH)(CHHS)(H)2	H(CCHS)	109.2600	0.047	2	109.2600	0.002	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRuC)(H)2	C(CC[6]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SRuC)(H)2	C(CC[6]HH)(CHHS)(H)2	H(CCHS)	110.2943	0.723	4	110.2943	0.523	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRuC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SRuC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.8828	0.711	4	108.8828	0.505	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRuC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SRuC)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	109.1905	0.502	4	109.1905	0.252	4	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SRuC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SRuC)(H)2	C(CHHS)2(H)2	H(CCHS)	108.6736	0.826	93	108.6736	0.683	93	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SYY)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SYY)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	107.7540	0.038	2	107.7540	0.001	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SYb2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SYb2)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	107.2235	0.151	2	107.2235	0.023	2	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SZrC)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SZrC)(H)2	C(CHHS)2(H)2	H(CCHS)	108.7823	0.158	7	108.7823	0.025	7	108.6026	0.679	820	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SCC)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SCC)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	108.9942	0.215	6	108.9942	0.046	6	109.2288	1.117	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SCoC)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SCoC)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	108.7025	0.060	2	108.7025	0.004	2	109.2288	1.117	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SFe2)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	C(CHHN)(SFe2)(H)2	C(CHHS)(NCCH)(H)2	H(CCHS)	109.7540	0.284	4	109.7540	0.081	4	109.2288	1.117	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SFe2)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SFe2)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	109.6015	0.015	2	109.6015	0.000	2	109.2288	1.117	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SMn2)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SMn2)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	109.4307	1.959	6	109.4307	3.837	6	109.2288	1.117	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SPd2)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SPd2)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	108.4300	0.016	2	108.4300	0.000	2	109.2288	1.117	22	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SC[6a]O)(H)2	C(C[5]O[5]2H)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SC[6a]O)(H)2	C(C[5]O[5]2H)(CHHS)(H)2	H(CCHS)	110.7235	0.275	2	110.7235	0.076	2	110.7235	0.076	2	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SAgC)(H)2	C(NAgCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SAgC)(H)2	C(NAgCC)(CHHS)(H)2	H(CCHS)	109.1110	0.939	13	109.1110	0.881	13	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCoC)(H)2	C(NCoCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCoC)(H)2	C(NCoCC)(CHHS)(H)2	H(CCHS)	109.8490	0.455	30	109.8490	0.207	30	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCoC)(H)2	C(NCoCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCoC)(H)2	C(NCoCH)(CHHS)(H)2	H(CCHS)	109.7108	0.760	12	109.7108	0.578	12	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCrC)(H)2	C(NCr2C)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCrC)(H)2	C(NCr2C)(CHHS)(H)2	H(CCHS)	109.9613	0.421	3	109.9613	0.177	3	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCrC)(H)2	C(NCrCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCrC)(H)2	C(NCrCH)(CHHS)(H)2	H(CCHS)	109.2165	0.050	4	109.2165	0.003	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCu2)(H)2	C(NCuCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCu2)(H)2	C(NCuCC)(CHHS)(H)2	H(CCHS)	107.4827	14.486	4	107.4827	209.842	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCuC)(H)2	C(NC[6a]CuC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCuC)(H)2	C(NC[6a]CuC)(CHHS)(H)2	H(CCHS)	109.4060	0.130	4	109.4060	0.017	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCuC)(H)2	C(NCuCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCuC)(H)2	C(NCuCC)(CHHS)(H)2	H(CCHS)	109.3222	1.656	26	109.3222	2.742	26	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCuC)(H)2	C(NCuCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCuC)(H)2	C(NCuCH)(CHHS)(H)2	H(CCHS)	109.4698	0.438	13	109.4698	0.192	13	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCuC)(H)2	C(NCuHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SCuC)(H)2	C(NCuHH)(CHHS)(H)2	H(CCHS)	110.0005	1.423	2	110.0005	2.026	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SFe2)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SFe2)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	109.7142	0.702	10	109.7142	0.493	10	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SFeC)(H)2	C(NC[6a]FeH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SFeC)(H)2	C(NC[6a]FeH)(CHHS)(H)2	H(CCHS)	113.4137	7.503	4	113.4137	56.294	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SFeC)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SFeC)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	108.7800	0.139	5	108.7800	0.019	5	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SFeC)(H)2	C(NFeCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SFeC)(H)2	C(NFeCH)(CHHS)(H)2	H(CCHS)	109.9203	0.564	9	109.9203	0.319	9	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SFeW)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SFeW)(H)2	C(NFeCC)(CHHS)(H)2	H(CCHS)	109.8697	0.494	4	109.8697	0.244	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SHgC)(H)2	C(NHgCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SHgC)(H)2	C(NHgCC)(CHHS)(H)2	H(CCHS)	108.4935	0.576	8	108.4935	0.332	8	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SHgC)(H)2	C(NHgCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SHgC)(H)2	C(NHgCH)(CHHS)(H)2	H(CCHS)	108.1125	0.040	2	108.1125	0.002	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SIrS)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SIrS)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	109.5465	0.493	4	109.5465	0.243	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SIrV)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SIrV)(H)2	C(NIrHH)(CHHS)(H)2	H(CCHS)	109.9810	0.048	4	109.9810	0.002	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMn2)(H)2	C(NMnCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMn2)(H)2	C(NMnCC)(CHHS)(H)2	H(CCHS)	109.0290	0.117	2	109.0290	0.014	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMnC)(H)2	C(NMnCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMnC)(H)2	C(NMnCH)(CHHS)(H)2	H(CCHS)	109.3555	0.091	2	109.3555	0.008	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMoC)(H)2	C(NMoCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMoC)(H)2	C(NMoCC)(CHHS)(H)2	H(CCHS)	108.6305	0.018	2	108.6305	0.000	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SMoC)(H)2	C(NMoCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SMoC)(H)2	C(NMoCH)(CHHS)(H)2	H(CCHS)	109.1416	0.113	8	109.1416	0.013	8	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNi2)(H)2	C(NC[6a]NiC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNi2)(H)2	C(NC[6a]NiC)(CHHS)(H)2	H(CCHS)	112.9380	1.049	2	112.9380	1.101	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNi2)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNi2)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	109.7352	0.180	21	109.7352	0.033	21	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNiC)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNiC)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	108.7213	0.566	16	108.7213	0.320	16	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNiC)(H)2	C(NNiCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNiC)(H)2	C(NNiCH)(CHHS)(H)2	H(CCHS)	109.2312	1.036	24	109.2312	1.072	24	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNiC)(H)2	C(NNiHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNiC)(H)2	C(NNiHH)(CHHS)(H)2	H(CCHS)	109.1877	0.262	7	109.1877	0.068	7	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SNiW)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SNiW)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	110.3105	0.353	6	110.3105	0.125	6	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SPd2)(H)2	C(NPdHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SPd2)(H)2	C(NPdHH)(CHHS)(H)2	H(CCHS)	107.8615	3.307	2	107.8615	10.937	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SPdC)(H)2	C(NPdCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SPdC)(H)2	C(NPdCH)(CHHS)(H)2	H(CCHS)	109.5829	0.213	19	109.5829	0.045	19	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SPtO)(H)2	C(NPtHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SPtO)(H)2	C(NPtHH)(CHHS)(H)2	H(CCHS)	109.8860	0.030	2	109.8860	0.001	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SReC)(H)2	C(NReCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SReC)(H)2	C(NReCC)(CHHS)(H)2	H(CCHS)	110.0765	0.275	2	110.0765	0.076	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SReC)(H)2	C(NReHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SReC)(H)2	C(NReHH)(CHHS)(H)2	H(CCHS)	109.2025	0.458	8	109.2025	0.210	8	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRhC)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRhC)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	110.0623	1.657	18	110.0623	2.744	18	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRhH)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRhH)(H)2	C(NRhHH)(CHHS)(H)2	H(CCHS)	112.3740	1.411	4	112.3740	1.990	4	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRuC)(H)2	C(NRuCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRuC)(H)2	C(NRuCC)(CHHS)(H)2	H(CCHS)	109.0223	0.165	7	109.0223	0.027	7	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SRuC)(H)2	C(NRuCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SRuC)(H)2	C(NRuCH)(CHHS)(H)2	H(CCHS)	109.6673	0.306	12	109.6673	0.094	12	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SZn2)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SZn2)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	108.9622	0.213	6	108.9622	0.045	6	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SZn2)(H)2	C(NZnCH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SZn2)(H)2	C(NZnCH)(CHHS)(H)2	H(CCHS)	108.9162	0.183	8	108.9162	0.034	8	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SZn2)(H)2	C(NZnHH)(CHHS)(H)2	H(CCHS)	C(CHHN)(SZn2)(H)2	C(NZnHH)(CHHS)(H)2	H(CCHS)	109.0465	0.006	2	109.0465	0.000	2	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SZnC)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	C(CHHN)(SZnC)(H)2	C(NZnCC)(CHHS)(H)2	H(CCHS)	109.1880	1.432	48	109.1880	2.050	48	109.4758	3.368	389	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SCuC)(H)2	C(N[6]C[6]2Cu)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SCuC)(H)2	C(N[6]C[6]2Cu)(CHHS)(H)2	H(CCHS)	108.8420	0.643	12	108.8420	0.414	12	109.3048	0.643	19	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SNiPd)(H)2	C(N[6]C[6]2Ni)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SNiPd)(H)2	C(N[6]C[6]2Ni)(CHHS)(H)2	H(CCHS)	110.0983	0.086	7	110.0983	0.007	7	109.3048	0.643	19	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SFe2)(H)2	C(PC[6a]2Fe)(CHHS)(H)2	H(CCHS)	C(CHHP)(SFe2)(H)2	C(PC[6a]2Fe)(CHHS)(H)2	H(CCHS)	109.5536	0.644	12	109.5536	0.415	12	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SMoC)(H)2	C(PC[6a]MoC)(CHHS)(H)2	H(CCHS)	C(CHHP)(SMoC)(H)2	C(PC[6a]MoC)(CHHS)(H)2	H(CCHS)	108.9542	0.117	6	108.9542	0.014	6	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SNiC)(H)2	C(PC[6a]2Ni)(CHHS)(H)2	H(CCHS)	C(CHHP)(SNiC)(H)2	C(PC[6a]2Ni)(CHHS)(H)2	H(CCHS)	110.8502	2.077	5	110.8502	4.315	5	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SNiC)(H)2	C(PC[6a]CO)(CHHS)(H)2	H(CCHS)	C(CHHP)(SNiC)(H)2	C(PC[6a]CO)(CHHS)(H)2	H(CCHS)	107.2215	0.008	2	107.2215	0.000	2	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SNiC)(H)2	C(PC[6a]NiC)(CHHS)(H)2	H(CCHS)	C(CHHP)(SNiC)(H)2	C(PC[6a]NiC)(CHHS)(H)2	H(CCHS)	110.1495	2.473	8	110.1495	6.116	8	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SOsC)(H)2	C(PC[6a]2Os)(CHHS)(H)2	H(CCHS)	C(CHHP)(SOsC)(H)2	C(PC[6a]2Os)(CHHS)(H)2	H(CCHS)	109.3260	0.088	3	109.3260	0.008	3	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SPdC)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHS)	C(CHHP)(SPdC)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHS)	109.4797	0.350	6	109.4797	0.122	6	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SPtC)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	C(CHHP)(SPtC)(H)2	C(PC[6a]2Pt)(CHHS)(H)2	H(CCHS)	109.5272	0.517	13	109.5272	0.267	13	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(STcC)(H)2	C(PC[6a]2Tc)(CHHS)(H)2	H(CCHS)	C(CHHP)(STcC)(H)2	C(PC[6a]2Tc)(CHHS)(H)2	H(CCHS)	109.3560	0.444	4	109.3560	0.197	4	109.5659	1.616	59	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:S-3:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(SIr2)(H)2	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	C(CHHS)(SIr2)(H)2	C(SC[6a]OO)(CHHS)(H)2	H(CCHS)	108.6083	1.223	6	108.6083	1.496	6	108.6083	1.496	6	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:Se-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SeCW)(H)2	C(CSeHH)2(H)2	H(CSeCH)	C(CCHH)(SeCW)(H)2	C(CSeHH)2(H)2	H(CSeCH)	107.0287	0.976	3	107.0287	0.953	3	107.0287	0.953	3	109.1800	1.396	16801	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	C(CCHO)(CCH)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	108.6200	0.000	1	108.6200	0.000	1	109.5300	0.220	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	H(CClCC)	C(CCHO)(COO)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	H(CClCC)	109.7120	0.162	5	109.7120	0.026	5	109.5300	0.220	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCC)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CCC)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	107.9385	0.019	2	107.9385	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCC)(H)2	C(CCHH)2(ON)(H)	H(CCCH)	C(CCHO)(CCC)(H)2	C(CCHH)2(ON)(H)	H(CCCH)	106.8240	0.014	2	106.8240	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	109.0823	0.081	7	109.0823	0.007	7	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	109.4480	0.030	2	109.4480	0.001	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	108.4045	0.503	14	108.4045	0.253	14	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	108.3100	0.079	2	108.3100	0.006	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	108.8683	0.568	4	108.8683	0.322	4	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	108.6022	0.824	6	108.6022	0.678	6	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.6738	1.007	25	108.6738	1.015	25	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.6275	0.039	2	108.6275	0.002	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCCH)	109.7280	0.027	2	109.7280	0.001	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	108.9082	0.442	13	108.9082	0.196	13	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	109.4043	0.197	10	109.4043	0.039	10	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CCHH)2(OSi)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CCHH)2(OSi)(H)	H(CCCH)	108.9355	0.005	2	108.9355	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	H(CCCH)	108.4537	0.332	4	108.4537	0.110	4	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	H(CCCH)	107.8690	0.008	2	107.8690	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(H)2	C(CC[6a]HO)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCH)(H)2	C(CC[6a]HO)(CCHH)(OH)(H)	H(CCCH)	108.3925	0.032	2	108.3925	0.001	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	108.6990	0.059	2	108.6990	0.004	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCFF)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCFF)(CCHH)(OH)(H)	H(CCCH)	109.1855	0.005	2	109.1855	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	109.0018	0.241	4	109.0018	0.058	4	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	108.6710	0.362	4	108.6710	0.131	4	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	108.7827	0.204	7	108.7827	0.042	7	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	105.6397	3.350	4	105.6397	11.222	4	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	108.9173	0.224	6	108.9173	0.050	6	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)(CCO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.7097	0.476	8	108.7097	0.226	8	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHN)(H)2	C(CCHH)2(OSi)(H)	H(CCCH)	C(CCHO)(CHN)(H)2	C(CCHH)2(OSi)(H)	H(CCCH)	109.3685	0.016	2	109.3685	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CIrO)(H)2	C(CIrHH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CIrO)(H)2	C(CIrHH)(CCHH)(OC)(H)	H(CCCH)	110.0645	0.009	2	110.0645	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CNO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	109.0885	0.026	2	109.0885	0.001	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	C(CCHO)(CNO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	109.1330	0.007	2	109.1330	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(H)2	C(CCHH)(CH3)(ON)(H)	H(CCCH)	C(CCHO)(CNO)(H)2	C(CCHH)(CH3)(ON)(H)	H(CCCH)	108.9590	0.064	3	108.9590	0.004	3	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)(CNO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	109.0935	0.120	4	109.0935	0.014	4	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(H)2	C(CCHH)2(ON)(H)	H(CCCH)	C(CCHO)(CNO)(H)2	C(CCHH)2(ON)(H)	H(CCCH)	108.6610	0.021	2	108.6610	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	108.2615	0.009	2	108.2615	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	109.8442	1.597	9	109.8442	2.549	9	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	108.7675	0.086	2	108.7675	0.007	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	108.7265	1.165	13	108.7265	1.357	13	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	107.3610	0.062	2	107.3610	0.004	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.9201	0.471	8	108.9201	0.222	8	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.1870	0.024	2	108.1870	0.001	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCCH)	108.7403	0.083	4	108.7403	0.007	4	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	108.9699	0.387	9	108.9699	0.150	9	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)(CHHN)(OP)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)(CHHN)(OP)(H)	H(CCCH)	108.1780	0.018	2	108.1780	0.000	2	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)(COO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	109.1610	0.297	8	109.1610	0.088	8	108.7705	0.914	216	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(CNO)(H)2	C(CCHH)(CCHN)(SC)(H)	H(CCCH)	C(CCHS)(CNO)(H)2	C(CCHH)(CCHN)(SC)(H)	H(CCCH)	109.1930	0.004	2	109.1930	0.000	2	109.1930	0.000	2	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCO)(H)2	C(C[3]C[3]2S)(CCHH)(OH)(H)	H(CCCH)	C(CC[3]HO)(CCO)(H)2	C(C[3]C[3]2S)(CCHH)(OH)(H)	H(CCCH)	108.2890	0.122	2	108.2890	0.015	2	108.7975	0.368	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CC[6]C)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[3]HO)(CC[6]C)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(CCCH)	108.5405	0.064	2	108.5405	0.004	2	108.7975	0.368	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(COO)(H)2	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(CCCH)	C(CC[3]HO)(COO)(H)2	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(CCCH)	109.5630	0.016	2	109.5630	0.000	2	108.7975	0.368	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CCO)(H)2	C(C[4]C[4]2S)(CCHH)(OH)(H)	H(CCCH)	C(CC[4]HO)(CCO)(H)2	C(C[4]C[4]2S)(CCHH)(OH)(H)	H(CCCH)	108.7120	0.017	2	108.7120	0.000	2	108.5858	6.372	4	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CCO)(H)2	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[4]HO)(CCO)(H)2	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	H(CCCH)	108.4595	4.365	2	108.4595	19.053	2	108.5858	6.372	4	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6]HO)(CCH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5,6]HO)(CCH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	H(CCCH)	108.5665	0.086	2	108.5665	0.007	2	108.5665	0.007	2	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	H(CCCH)	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	H(CCCH)	108.5315	0.037	2	108.5315	0.001	2	108.5315	0.001	2	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCC)(H)2	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCC)(H)2	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(CCCH)	108.3004	0.485	7	108.3004	0.235	7	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCH)(H)2	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCH)(H)2	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	H(CCCH)	109.7035	0.026	2	109.7035	0.001	2	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCH)(H)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCH)(H)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	H(CCCH)	108.8695	0.095	4	108.8695	0.009	4	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCO)(H)2	C(C[5]C[5]2H)(CCHH)(OSi)(H)	H(CCCH)	C(CC[5]HO)(CCO)(H)2	C(C[5]C[5]2H)(CCHH)(OSi)(H)	H(CCCH)	108.7670	0.028	2	108.7670	0.001	2	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(CCCH)	109.1705	0.006	2	109.1705	0.000	2	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(CCCH)	108.4765	0.507	10	108.4765	0.257	10	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(CCCH)	109.8050	2.709	6	109.8050	7.341	6	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CC[6]C)(H)2	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CC[6]C)(H)2	C(C[5]C[5]2H)(CCHH)(OC)(H)	H(CCCH)	108.2790	0.000	1	108.2790	0.000	1	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CC[6a]O)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CC[6a]O)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	108.8005	0.034	4	108.8005	0.001	4	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	109.7970	1.939	4	109.7970	3.758	4	108.9316	1.611	42	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:S-2:H-1:	C-4:	C(CC[5]HS)(CC[6a]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(SS)(H)	H(CCCH)	C(CC[5]HS)(CC[6a]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(SS)(H)	H(CCCH)	108.6230	0.351	4	108.6230	0.123	4	108.6230	0.123	4	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6,6]-4:C-4:O-2:H-1:	C-4:	C(CC[6,6]HO)(CCH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6,6]HO)(CCH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	H(CCCH)	108.5520	1.054	8	108.5520	1.111	8	108.5520	1.111	8	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCC)(H)2	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(CCC)(H)2	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	H(CCCH)	108.4970	0.212	4	108.4970	0.045	4	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	H(CCCH)	108.4225	0.030	2	108.4225	0.001	2	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCC)(H)2	C(C[6]C[6]2C)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCC)(H)2	C(C[6]C[6]2C)(CCHH)(OH)(H)	H(CCCH)	108.4820	0.000	1	108.4820	0.000	1	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(CCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	H(CCCH)	108.4535	0.045	2	108.4535	0.002	2	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(CCCH)	108.6585	1.070	2	108.6585	1.145	2	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CC[5a]O)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CC[5a]O)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	H(CCCH)	108.9710	0.016	2	108.9710	0.000	2	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CNO)(H)2	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(CNO)(H)2	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	H(CCCH)	108.5695	0.070	2	108.5695	0.005	2	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(COO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(COO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	H(CCCH)	109.0700	0.021	2	109.0700	0.000	2	108.6329	0.135	17	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(CCHH)(CHHN)(NS)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(CCHH)(CHHN)(NS)(H)	H(CCHN)	108.2030	0.168	2	108.2030	0.028	2	108.5298	0.079	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NC)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NC)(H)	H(CCHN)	108.7970	0.021	2	108.7970	0.000	2	108.5298	0.079	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(NCS)(H)2	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	H(CCHN)	C(CCHN)(NCS)(H)2	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	H(CCHN)	108.5895	0.018	2	108.5895	0.000	2	108.5298	0.079	6	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CCCH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CCCH)(CHHN)(OC)(H)	H(CCHN)	109.1210	0.162	3	109.1210	0.026	3	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CCFH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CCFH)(CHHN)(OC)(H)	H(CCHN)	107.9218	1.520	8	107.9218	2.310	8	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCHN)	107.8215	1.384	4	107.8215	1.914	4	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CCHN)(CHHN)(OS)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CCHN)(CHHN)(OS)(H)	H(CCHN)	108.6385	0.006	2	108.6385	0.000	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OC)(H)	H(CCHN)	108.6822	0.680	4	108.6822	0.462	4	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OH)(H)	H(CCHN)	108.8653	0.234	7	108.8653	0.055	7	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CC[5,6,6]HH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CC[5,6,6]HH)(CHHN)(OH)(H)	H(CCHN)	108.9605	0.018	2	108.9605	0.000	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CC[5]HH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CC[5]HH)(CHHN)(OC)(H)	H(CCHN)	108.8870	0.018	2	108.8870	0.000	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CC[6a]C[4]O)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CC[6a]C[4]O)(CHHN)(OH)(H)	H(CCHN)	109.5375	0.012	2	109.5375	0.000	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	H(CCHN)	108.5810	0.034	2	108.5810	0.001	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OGa)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OGa)(H)	H(CCHN)	109.7903	0.053	8	109.7903	0.003	8	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	108.7248	0.878	6	108.7248	0.771	6	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OP)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OP)(H)	H(CCHN)	109.5077	0.926	3	109.5077	0.857	3	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OSi)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CHHN)(CH3)(OSi)(H)	H(CCHN)	110.2173	1.667	9	110.2173	2.780	9	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	109.0270	0.004	2	109.0270	0.000	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CHHN)(CHHS)(OGa)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CHHN)(CHHS)(OGa)(H)	H(CCHN)	109.3740	0.608	6	109.3740	0.369	6	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	108.6492	1.385	10	108.6492	1.917	10	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCHN)	108.8280	0.390	12	108.8280	0.152	12	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CCHO)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CCHO)(CHHN)(OH)(H)	H(CCHN)	109.2368	0.565	6	109.2368	0.319	6	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CC[5]HO)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CC[5]HO)(CHHN)(OH)(H)	H(CCHN)	108.1280	0.065	2	108.1280	0.004	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	H(CCHN)	109.2923	0.065	3	109.2923	0.004	3	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	109.5320	1.035	8	109.5320	1.071	8	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OP)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CHHN)(CH3)(OP)(H)	H(CCHN)	108.9030	0.055	4	108.9030	0.003	4	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	109.7272	0.813	6	109.7272	0.661	6	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.4850	0.439	35	109.4850	0.193	35	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCN)(H)2	C(CHHN)(CHHS)(OH)(H)	H(CCHN)	C(CCHO)(NCN)(H)2	C(CHHN)(CHHS)(OH)(H)	H(CCHN)	108.7550	0.027	2	108.7550	0.001	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCS)(H)2	C(CCCH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NCS)(H)2	C(CCCH)(CHHN)(OC)(H)	H(CCHN)	108.9515	0.285	4	108.9515	0.081	4	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCS)(H)2	C(CCHN)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCS)(H)2	C(CCHN)(CHHN)(OH)(H)	H(CCHN)	108.7426	0.217	5	108.7426	0.047	5	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NFeC)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	C(CCHO)(NFeC)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	109.2530	0.059	2	109.2530	0.004	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NHS)(H)2	C(CClHH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NHS)(H)2	C(CClHH)(CHHN)(OC)(H)	H(CCHN)	109.1350	0.000	1	109.1350	0.000	1	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NHS)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NHS)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.3290	0.100	2	109.3290	0.010	2	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NMnC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NMnC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.0019	0.370	8	109.0019	0.137	8	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NMoC)(H)2	C(CHHN)(CH3)(OMo)(H)	H(CCHN)	C(CCHO)(NMoC)(H)2	C(CHHN)(CH3)(OMo)(H)	H(CCHN)	110.4343	0.020	3	110.4343	0.000	3	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NNiC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NNiC)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.0565	0.097	15	109.0565	0.009	15	109.1422	0.763	198	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(NOO)(H)2	C(CCHO)(CHHN)(SC)(H)	H(CCHN)	C(CCHS)(NOO)(H)2	C(CCHO)(CHHN)(SC)(H)	H(CCHN)	108.9720	0.007	2	108.9720	0.000	2	108.9720	0.000	2	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6]HO)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	H(CCHN)	C(CC[5,6]HO)(NCC)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	H(CCHN)	108.2295	0.503	8	108.2295	0.253	8	108.2295	0.253	8	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-2:H-1:	C-4:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	H(CCHN)	109.2275	0.028	2	109.2275	0.001	2	109.2275	0.001	2	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	H(CCHN)	C(CC[5]HN)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	H(CCHN)	109.8375	0.022	2	109.8375	0.000	2	109.8375	0.000	2	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(NCC)(H)2	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	H(CCHN)	C(CC[5]HO)(NCC)(H)2	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	H(CCHN)	109.4520	0.177	4	109.4520	0.031	4	109.3088	0.044	8	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(NCH)(H)2	C(C[5]C[5]2H)(CHHN)(OH)(H)	H(CCHN)	C(CC[5]HO)(NCH)(H)2	C(C[5]C[5]2H)(CHHN)(OH)(H)	H(CCHN)	109.1655	0.132	4	109.1655	0.017	4	109.3088	0.044	8	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(NCC)(H)2	C(C[6]C[6]2H)(CHHN)(OH)(H)	H(CCHN)	C(CC[6]HO)(NCC)(H)2	C(C[6]C[6]2H)(CHHN)(OH)(H)	H(CCHN)	110.3155	0.541	2	110.3155	0.293	2	110.0900	0.299	3	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(NOO)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	H(CCHN)	C(CC[6]HO)(NOO)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	H(CCHN)	109.6390	0.000	1	109.6390	0.000	1	110.0900	0.299	3	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(SCO)(H)2	C(CHHO)(CHHS)(NC)(H)	H(CCHS)	C(CCHN)(SCO)(H)2	C(CHHO)(CHHS)(NC)(H)	H(CCHS)	109.5105	0.016	2	109.5105	0.000	2	109.5105	0.000	2	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SCO)(H)2	C(CCCH)(CHHS)(OH)(H)	H(CCHS)	C(CCHO)(SCO)(H)2	C(CCCH)(CHHS)(OH)(H)	H(CCHS)	109.1390	0.000	1	109.1390	0.000	1	108.4539	0.094	51	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SFe2)(H)2	C(CHHS)2(OC)(H)	H(CCHS)	C(CCHO)(SFe2)(H)2	C(CHHS)2(OC)(H)	H(CCHS)	108.5287	0.285	37	108.5287	0.081	37	108.4539	0.094	51	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SFe2)(H)2	C(CHHS)2(OH)(H)	H(CCHS)	C(CCHO)(SFe2)(H)2	C(CHHS)2(OH)(H)	H(CCHS)	108.3097	0.039	3	108.3097	0.001	3	108.4539	0.094	51	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SFe2)(H)2	C(CHHS)2(OP)(H)	H(CCHS)	C(CCHO)(SFe2)(H)2	C(CHHS)2(OP)(H)	H(CCHS)	108.1520	0.118	10	108.1520	0.014	10	108.4539	0.094	51	108.8905	0.842	591	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CC3)(CCC)(H)2	C(CCHH)2(CN)2	H(CCCH)	C(CC3)(CCC)(H)2	C(CCHH)2(CN)2	H(CCCH)	108.4383	0.123	4	108.4383	0.015	4	106.8688	3.108	12	107.0866	2.952	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CC3)(CCH)(H)2	C(CC[6a]CH)(CCHH)(CN)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[6a]CH)(CCHH)(CN)2	H(CCCH)	106.6360	0.953	2	106.6360	0.909	2	106.8688	3.108	12	107.0866	2.952	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CC3)(CCH)(H)2	C(CC[6a]C[6]H)(CCHH)(CN)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[6a]C[6]H)(CCHH)(CN)2	H(CCCH)	105.9002	1.878	6	105.9002	3.528	6	106.8688	3.108	12	107.0866	2.952	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:2:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(CCO)(H)2	C(CCHH)(CH3)(OC)2	H(CCCH)	C(CCOO)(CCO)(H)2	C(CCHH)(CH3)(OC)2	H(CCCH)	108.3930	0.457	2	108.3930	0.209	2	108.3930	0.209	2	107.0866	2.952	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CNO)(Br)(H)	C(CBr2C)(CBrCH)(NHS)(H)	H(CBrCC)	C(CCHN)(CNO)(Br)(H)	C(CBr2C)(CBrCH)(NHS)(H)	H(CBrCC)	107.8270	0.000	1	107.8270	0.000	1	107.4205	0.330	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COS)(Br)(H)	C(CBrCH)(CH3)(NCH)(H)	H(CBrCC)	C(CCHN)(COS)(Br)(H)	C(CBrCH)(CH3)(NCH)(H)	H(CBrCC)	107.0140	0.000	1	107.0140	0.000	1	107.4205	0.330	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:Br-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(CCH)(Br)(H)	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	H(CBrCC)	C(CC[6]HN)(CCH)(Br)(H)	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	H(CBrCC)	108.8755	0.671	2	108.8755	0.450	2	108.8755	0.450	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:Cl-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCH)(Cl)(H)	C(CClCH)(CH3)(NHS)(H)	H(CClCC)	C(CCHN)(CCH)(Cl)(H)	C(CClCH)(CH3)(NHS)(H)	H(CClCC)	108.0320	0.000	1	108.0320	0.000	1	108.0320	0.000	1	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:Cl-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(CN[5]O)(Cl)(H)	C(C[6]C[6]2H)(CClCH)(NCH)(H)	H(CClCC)	C(CC[6]HN)(CN[5]O)(Cl)(H)	C(C[6]C[6]2H)(CClCH)(NCH)(H)	H(CClCC)	109.1900	0.187	2	109.1900	0.035	2	109.1900	0.035	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(F)(H)	C(CCFH)(CCHH)(NCC)(H)	H(CCCF)	C(CCHN)(COO)(F)(H)	C(CCFH)(CCHH)(NCC)(H)	H(CCCF)	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	B-4:C-4:C-3:H-1:	C-4:	C(CBCH)(COO)(H)2	C(BC[5]ClH)(CCHH)(COO)(H)	H(CCCH)	C(CBCH)(COO)(H)2	C(BC[5]ClH)(CCHH)(COO)(H)	H(CCCH)	108.9260	0.171	4	108.9260	0.029	4	108.9260	0.029	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)(CC3)(CCC)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)(CC3)(CCC)(H)	H(CCCH)	108.3495	0.077	2	108.3495	0.006	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	109.7095	2.734	4	109.7095	7.475	4	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.6245	0.005	2	108.6245	0.000	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)(CH3)(CNS)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)(CH3)(CNS)(H)	H(CCCH)	107.8370	0.023	2	107.8370	0.001	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	109.1495	0.005	2	109.1495	0.000	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CCHO)(CSeN)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CCHO)(CSeN)(H)	H(CCCH)	107.4000	0.407	2	107.4000	0.166	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.7938	0.154	12	108.7938	0.024	12	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.9160	0.000	1	108.9160	0.000	1	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	108.7170	0.129	3	108.7170	0.017	3	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	108.6635	0.469	4	108.6635	0.220	4	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	108.5910	0.013	4	108.5910	0.000	4	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[5]CC)(CCHH)(CCO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[5]CC)(CCHH)(CCO)(H)	H(CCCH)	109.1220	0.017	2	109.1220	0.000	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[6,6]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[6,6]HH)(CCHH)(CCC)(H)	H(CCCH)	108.8805	0.028	2	108.8805	0.001	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CCCH)	109.2950	0.007	2	109.2950	0.000	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(CCN)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(CCN)(H)	H(CCCH)	108.9585	0.047	2	108.9585	0.002	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	H(CCCH)	107.9458	0.703	4	107.9458	0.494	4	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)(CCHS)(COO)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)(CCHS)(COO)(H)	H(CCCH)	110.9880	2.117	2	110.9880	4.482	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	109.1120	0.260	2	109.1120	0.068	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	109.6546	0.630	5	109.6546	0.396	5	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CC[3]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CC[3]HH)(CCHH)(CCC)(H)	H(CCCH)	108.6450	0.011	2	108.6450	0.000	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CC[5]CH)(CCHH)(CCO)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CC[5]CH)(CCHH)(CCO)(H)	H(CCCH)	108.5602	0.389	4	108.5602	0.151	4	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CCCH)	108.3690	0.000	1	108.3690	0.000	1	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CNO)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CNO)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	H(CCCH)	108.9715	0.026	2	108.9715	0.001	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	109.4553	1.709	18	109.4553	2.921	18	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	109.2603	0.105	3	109.2603	0.011	3	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	108.8897	0.161	12	108.8897	0.026	12	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)2(COO)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)2(COO)(H)	H(CCCH)	109.9375	1.540	4	109.9375	2.372	4	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[5a]CH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[5a]CH)(CCHH)(COO)(H)	H(CCCH)	108.6495	0.023	2	108.6495	0.001	2	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[6a]CC)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[6a]CC)(CCHH)(COO)(H)	H(CCCH)	108.8885	0.838	4	108.8885	0.702	4	109.0003	1.162	111	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCC)(H)2	C(CC[5]HN)(CCHH)(NOO)(H)	H(CCCH)	C(CCHN)(CCC)(H)2	C(CC[5]HN)(CCHH)(NOO)(H)	H(CCCH)	109.0710	0.000	1	109.0710	0.000	1	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCC)(H)2	C(CC[5a]CH)(CCHH)(NOO)(H)	H(CCCH)	C(CCHN)(CCC)(H)2	C(CC[5a]CH)(CCHH)(NOO)(H)	H(CCCH)	108.7810	0.038	2	108.7810	0.001	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCH)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	C(CCHN)(CCH)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	108.7000	0.007	2	108.7000	0.000	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCO)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHN)(CCO)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	109.1195	0.026	2	109.1195	0.001	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCO)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	C(CCHN)(CCO)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	108.9150	0.008	2	108.9150	0.000	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCP)(H)2	C(CC[5]HN)(CCHH)(NOO)(H)	H(CCCH)	C(CCHN)(CCP)(H)2	C(CC[5]HN)(CCHH)(NOO)(H)	H(CCCH)	109.0660	0.038	2	109.0660	0.001	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHO)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	C(CCHN)(CHO)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	109.2442	0.095	6	109.2442	0.009	6	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	109.1980	0.186	4	109.1980	0.035	4	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(CF3)(NCH)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(CF3)(NCH)(H)	H(CCCH)	109.5984	0.233	8	109.5984	0.054	8	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	109.2686	0.102	5	109.2686	0.010	5	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)2(NCC)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)2(NCC)(H)	H(CCCH)	109.1555	0.035	2	109.1555	0.001	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CCCH)	108.6069	0.324	7	108.6069	0.105	7	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	109.3820	0.027	2	109.3820	0.001	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CC3)(NHS)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CC3)(NHS)(H)	H(CCCH)	108.9756	0.327	8	108.9756	0.107	8	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCC)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCC)(H)	H(CCCH)	108.6752	3.226	6	108.6752	10.405	6	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NOO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NOO)(H)	H(CCCH)	108.8345	0.021	2	108.8345	0.000	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CCHO)(NCC)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CCHO)(NCC)(H)	H(CCCH)	108.2535	2.082	2	108.2535	4.337	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CF3)(NCH)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CF3)(NCH)(H)	H(CCCH)	109.3562	0.102	5	109.3562	0.010	5	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CF3)(NHN)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CF3)(NHN)(H)	H(CCCH)	109.7280	0.000	1	109.7280	0.000	1	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	108.0585	0.282	4	108.0585	0.080	4	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CC[6a]HN)(CCHH)(NCC)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CC[6a]HN)(CCHH)(NCC)(H)	H(CCCH)	110.2075	1.752	2	110.2075	3.068	2	109.0418	1.033	75	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(CHH)(H)2	C(CCHH)2(SRhC)(H)	H(CCCH)	C(CCHS)(CHH)(H)2	C(CCHH)2(SRhC)(H)	H(CCCH)	108.6745	0.288	2	108.6745	0.083	2	108.6745	0.083	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CCH)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHN)(CCH)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.6535	0.021	2	108.6535	0.000	2	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CHH)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHH)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	109.9370	0.018	2	109.9370	0.000	2	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	109.2353	0.288	6	109.2353	0.083	6	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	109.1770	0.638	20	109.1770	0.407	20	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(CCCH)	108.7745	2.260	6	108.7745	5.107	6	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	110.0880	3.284	2	110.0880	10.783	2	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	107.8550	0.519	3	107.8550	0.269	3	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.7994	2.119	29	108.7994	4.490	29	108.9672	2.629	70	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-4:C-3:H-1:	C-4:	C(CCHS)(COO)(H)2	C(CCHH)(SO3)(COO)(H)	H(CCCH)	C(CCHS)(COO)(H)2	C(CCHH)(SO3)(COO)(H)	H(CCCH)	109.3738	0.143	6	109.3738	0.021	6	109.3738	0.021	6	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C-4:Si-4:C-3:O-1:	C-4:	C(CSiCO)(CCH)(H)2	C(CCHH)(SiC3)(COO)(O)	H(CCCH)	C(CSiCO)(CCH)(H)2	C(CCHH)(SiC3)(COO)(O)	H(CCCH)	108.8770	0.037	2	108.8770	0.001	2	108.8770	0.001	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:	C(CC[3]HN)(CCH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	H(CCCH)	C(CC[3]HN)(CCH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	H(CCCH)	108.3240	0.643	2	108.3240	0.414	2	108.3240	0.414	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[3x6]-4:C-4:C-3:H-1:	C-4:	C(CC[3x6]CH)(COO)(H)2	C(C[3x6]C[6,6]3)(CCHH)(COO)(H)	H(CCCH)	C(CC[3x6]CH)(COO)(H)2	C(C[3x6]C[6,6]3)(CCHH)(COO)(H)	H(CCCH)	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[3x6]-4:C-4:N-3:H-1:	C-4:	C(CC[3x6]HN)(CCH)(H)2	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	H(CCCH)	C(CC[3x6]HN)(CCH)(H)2	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	H(CCCH)	109.0598	0.118	4	109.0598	0.014	4	109.0598	0.014	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCC)(H)2	C(C[5]C[5]2H)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CCC)(H)2	C(C[5]C[5]2H)(CCHH)(COO)(H)	H(CCCH)	108.4050	0.064	4	108.4050	0.004	4	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]2H)(CCHH)(CCO)(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]2H)(CCHH)(CCO)(H)	H(CCCH)	110.3050	2.647	4	110.3050	7.007	4	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	H(CCCH)	108.5775	0.493	2	108.5775	0.243	2	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CC[3]O)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CC[3]O)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(CCCH)	108.4765	0.026	2	108.4765	0.001	2	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CC[5a]O)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CC[5a]O)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	H(CCCH)	109.3700	0.000	1	109.3700	0.000	1	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	H(CCCH)	109.2430	0.313	4	109.2430	0.098	4	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(CCCH)	108.9825	0.049	4	108.9825	0.002	4	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CNO)(H)2	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CNO)(H)2	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	H(CCCH)	108.2185	0.021	2	108.2185	0.000	2	109.0286	1.468	23	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	H(CCCH)	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	H(CCCH)	107.9795	1.613	6	107.9795	2.601	6	108.4346	4.109	11	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	H(CCCH)	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	H(CCCH)	108.9808	2.518	5	108.9808	6.339	5	108.4346	4.109	11	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCC)(H)2	C(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6]CH)(CCC)(H)2	C(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	H(CCCH)	108.8020	0.048	2	108.8020	0.002	2	108.5657	0.169	3	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	H(CCCH)	108.0930	0.000	1	108.0930	0.000	1	108.5657	0.169	3	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(COO)(H)2	C(C[6]C[6]2H)(CCHH)(NOO)(H)	H(CCCH)	C(CC[6]HN)(COO)(H)2	C(C[6]C[6]2H)(CCHH)(NOO)(H)	H(CCCH)	109.1990	0.007	2	109.1990	0.000	2	109.1990	0.000	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CCN)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CCN)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	107.9805	0.006	2	107.9805	0.000	2	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CCO)(H)2	C(NCoCH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CCO)(H)2	C(NCoCH)(CCHH)(COO)(H)	H(CCCH)	108.6110	0.006	2	108.6110	0.000	2	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	108.8725	0.029	2	108.8725	0.001	2	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(NCoCH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(NCoCH)(CCHH)(COO)(H)	H(CCCH)	108.5323	0.273	20	108.5323	0.074	20	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(NCuHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(NCuHH)(CCHH)(COO)(H)	H(CCCH)	110.6540	0.479	2	110.6540	0.230	2	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(NFeCH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(NFeCH)(CCHH)(COO)(H)	H(CCCH)	107.8067	0.028	4	107.8067	0.001	4	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(NNiCH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(NNiCH)(CCHH)(COO)(H)	H(CCCH)	107.7160	0.000	1	107.7160	0.000	1	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(COO)(H)2	C(NReHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(NReHH)(CCHH)(COO)(H)	H(CCCH)	108.3255	0.023	2	108.3255	0.001	2	108.5279	0.422	35	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[6]-4:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2H)(CCHH)(COO)(H)	H(CCCH)	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2H)(CCHH)(COO)(H)	H(CCCH)	108.5240	0.044	2	108.5240	0.002	2	108.0433	0.309	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	N[6]-4:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2Ni)(CCHH)(COO)(H)	H(CCCH)	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2Ni)(CCHH)(COO)(H)	H(CCCH)	107.5625	0.018	2	107.5625	0.000	2	108.0433	0.309	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(CNO)(H)2	C(PC[6a]2O)(CCHH)(CNO)(H)	H(CCCH)	C(CCHP)(CNO)(H)2	C(PC[6a]2O)(CCHH)(CNO)(H)	H(CCCH)	108.8565	0.039	2	108.8565	0.002	2	108.8565	0.002	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CCHH)(CHHN)(CNO)(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CCHH)(CHHN)(CNO)(H)	H(CCHN)	109.4465	0.015	2	109.4465	0.000	2	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(CNO)(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(CNO)(H)	H(CCHN)	108.7525	0.172	2	108.7525	0.030	2	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	H(CCHN)	108.4240	0.000	1	108.4240	0.000	1	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CHHN)(CF3)(CNO)(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CHHN)(CF3)(CNO)(H)	H(CCHN)	109.7105	0.082	6	109.7105	0.007	6	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NHS)(H)2	C(CCHH)(CHHN)(CCN)(H)	H(CCHN)	C(CCCH)(NHS)(H)2	C(CCHH)(CHHN)(CCN)(H)	H(CCHN)	109.8645	0.026	2	109.8645	0.001	2	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NNiC)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	H(CCHN)	C(CCCH)(NNiC)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	H(CCHN)	108.8370	0.055	2	108.8370	0.003	2	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CCH)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CCH)(H)	H(CCHN)	109.2400	0.008	2	109.2400	0.000	2	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(COO)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(COO)(H)	H(CCHN)	108.6203	0.073	3	108.6203	0.005	3	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CCHN)(CHHN)(CCH)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CCHN)(CHHN)(CCH)(H)	H(CCHN)	109.8810	0.047	2	109.8810	0.002	2	109.2996	0.268	22	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(CCCH)(CHHN)(NCS)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(CCCH)(CHHN)(NCS)(H)	H(CCHN)	108.8160	0.202	4	108.8160	0.041	4	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(CHHN)(CC3)(NCH)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(CHHN)(CC3)(NCH)(H)	H(CCHN)	109.4130	0.035	2	109.4130	0.001	2	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	108.2350	0.062	2	108.2350	0.004	2	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(CHHN)(CHHO)(NCC)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(CHHN)(CHHO)(NCC)(H)	H(CCHN)	108.6805	0.030	2	108.6805	0.001	2	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCC)(H)2	C(CHHN)2(NCH)(H)	H(CCHN)	C(CCHN)(NCC)(H)2	C(CHHN)2(NCH)(H)	H(CCHN)	108.4989	0.859	8	108.4989	0.738	8	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	H(CCHN)	108.9510	0.644	14	108.9510	0.415	14	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NHS)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NHS)(H)	H(CCHN)	109.0645	0.434	4	109.0645	0.188	4	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCHN)	108.8423	0.118	6	108.8423	0.014	6	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	H(CCHN)	108.9888	0.300	27	108.9888	0.090	27	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	108.6952	0.697	31	108.6952	0.485	31	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CHHN)(CHHO)(NCH)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CHHN)(CHHO)(NCH)(H)	H(CCHN)	109.4005	0.334	2	109.4005	0.112	2	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCS)(H)2	C(CCCH)(CHHN)(NCS)(H)	H(CCHN)	C(CCHN)(NCS)(H)2	C(CCCH)(CHHN)(NCS)(H)	H(CCHN)	108.9385	0.049	2	108.9385	0.002	2	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NHN)(H)2	C(CCHN)(CHHN)(NHN)(H)	H(CCHN)	C(CCHN)(NHN)(H)2	C(CCHN)(CHHN)(NHN)(H)	H(CCHN)	109.1340	0.016	2	109.1340	0.000	2	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NHN)(H)2	C(CHHN)2(NHN)(H)	H(CCHN)	C(CCHN)(NHN)(H)2	C(CHHN)2(NHN)(H)	H(CCHN)	108.8010	0.000	1	108.8010	0.000	1	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NNiC)(H)2	C(CC[5a]HH)(CHHN)(NNiC)(H)	H(CCHN)	C(CCHN)(NNiC)(H)2	C(CC[5a]HH)(CHHN)(NNiC)(H)	H(CCHN)	110.4922	0.189	6	110.4922	0.036	6	108.9335	0.435	113	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(NCoC)(H)2	C(CHHN)2(OCoB)(H)	H(CCHN)	C(CCHO)(NCoC)(H)2	C(CHHN)2(OCoB)(H)	H(CCHN)	109.7332	0.463	8	109.7332	0.214	8	110.0460	1.035	54	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(NCuC)(H)2	C(CHHN)2(OCu2)(H)	H(CCHN)	C(CCHO)(NCuC)(H)2	C(CHHN)2(OCu2)(H)	H(CCHN)	110.0281	0.426	15	110.0281	0.181	15	110.0460	1.035	54	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(NFeC)(H)2	C(CHHN)2(OFe2)(H)	H(CCHN)	C(CCHO)(NFeC)(H)2	C(CHHN)2(OFe2)(H)	H(CCHN)	110.2736	1.574	20	110.2736	2.477	20	110.0460	1.035	54	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(NNiC)(H)2	C(CHHN)2(ONi2)(H)	H(CCHN)	C(CCHO)(NNiC)(H)2	C(CHHN)2(ONi2)(H)	H(CCHN)	109.8841	0.404	11	109.8841	0.164	11	110.0460	1.035	54	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C-4:S-4:C-3:H-1:	C-4:	C(CCHS)(NCC)(H)2	C(CHHN)(SCOO)(CCH)(H)	H(CCHN)	C(CCHS)(NCC)(H)2	C(CHHN)(SCOO)(CCH)(H)	H(CCHN)	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	H(CCHN)	108.9635	0.018	2	108.9635	0.000	2	109.2730	0.129	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2N)(CHHN)(CCH)(H)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2N)(CHHN)(CCH)(H)	H(CCHN)	109.5825	0.059	2	109.5825	0.003	2	109.2730	0.129	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	H(CCHN)	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	H(CCHN)	109.6686	0.087	7	109.6686	0.007	7	109.4922	0.097	15	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCH)(H)	H(CCHN)	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCH)(H)	H(CCHN)	109.4805	0.289	6	109.4805	0.084	6	109.4922	0.097	15	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCO)(H)	H(CCHN)	C(CC[6]CH)(NOO)(H)2	C(C[6]C[6]2H)(CHHN)(CCO)(H)	H(CCHN)	108.9100	0.028	2	108.9100	0.001	2	109.4922	0.097	15	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(NOO)(H)2	C(NCoCH)(CHHN)(COO)(H)	H(CCHN)	C(CCHN)(NOO)(H)2	C(NCoCH)(CHHN)(COO)(H)	H(CCHN)	109.9100	0.047	2	109.9100	0.002	2	109.9100	0.002	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(OFe2)(H)2	C(CCCH)(CHHO)(NFeC)(H)	H(CCHO)	C(CCHN)(OFe2)(H)2	C(CCCH)(CHHO)(NFeC)(H)	H(CCHO)	110.0437	0.167	4	110.0437	0.028	4	110.0437	0.028	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(OAl2)(H)2	C(CCHH)(CHHO)(OAl2)(H)	H(CCHO)	C(CCHO)(OAl2)(H)2	C(CCHH)(CHHO)(OAl2)(H)	H(CCHO)	110.3238	0.057	4	110.3238	0.003	4	110.3238	0.003	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:O-3:H-1:H-1:	C[5]-4:C-4:O-3:H-1:	C-4:	C(CC[5]HO)(OCoC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	H(CCHO)	C(CC[5]HO)(OCoC)(H)2	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	H(CCHO)	110.3310	0.019	4	110.3310	0.000	4	110.3310	0.000	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(SFe2)(H)2	C(CHHS)2(CNO)(H)	H(CCHS)	C(CCCH)(SFe2)(H)2	C(CHHS)2(CNO)(H)	H(CCHS)	108.0673	0.024	3	108.0673	0.001	3	108.0673	0.001	3	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(SCO)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	H(CCHS)	C(CCHN)(SCO)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	H(CCHS)	109.3860	0.024	2	109.3860	0.001	2	109.3860	0.001	2	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(SFe2)(H)2	C(CCHH)(CHHS)(SFe2)(H)	H(CCHS)	C(CCHS)(SFe2)(H)2	C(CCHH)(CHHS)(SFe2)(H)	H(CCHS)	109.1797	0.192	4	109.1797	0.037	4	109.1797	0.037	4	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SIrC)(H)2	C(NIrHH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SIrC)(H)2	C(NIrHH)(CHHS)(COO)(H)	H(CCHS)	117.2740	3.975	2	117.2740	15.803	2	109.8344	3.849	37	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SPd2)(H)2	C(NPdHH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SPd2)(H)2	C(NPdHH)(CHHS)(COO)(H)	H(CCHS)	109.6180	0.715	4	109.6180	0.511	4	109.8344	3.849	37	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:1:	4:	C-4:S-3:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(SReC)(H)2	C(NReHH)(CHHS)(COO)(H)	H(CCHS)	C(CCHN)(SReC)(H)2	C(NReHH)(CHHS)(COO)(H)	H(CCHS)	109.3823	0.366	31	109.3823	0.134	31	109.8344	3.849	37	109.1273	1.349	634	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCC)(H)2	C(CCHH)(CFFH)(COO)(OH)	H(CCCH)	C(CCCO)(CCC)(H)2	C(CCHH)(CFFH)(COO)(OH)	H(CCCH)	108.9055	0.015	2	108.9055	0.000	2	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCO)(H)2	C(CCHH)(CF3)(CCH)(OH)	H(CCCH)	C(CCCO)(CCO)(H)2	C(CCHH)(CF3)(CCH)(OH)	H(CCCH)	108.7520	0.107	2	108.7520	0.012	2	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCO)(H)2	C(CC[6a]CH)(CCHH)(COO)(OH)	H(CCCH)	C(CCCO)(CCO)(H)2	C(CC[6a]CH)(CCHH)(COO)(OH)	H(CCCH)	108.4953	0.161	6	108.4953	0.026	6	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CCCH)(CCHH)(COO)(OH)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCCH)(CCHH)(COO)(OH)	H(CCCH)	109.4935	0.015	2	109.4935	0.000	2	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OAl)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OAl)	H(CCCH)	109.5943	2.060	8	109.5943	4.244	8	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OFe)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OFe)	H(CCCH)	108.8790	1.810	4	108.8790	3.275	4	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OH)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OH)	H(CCCH)	108.8242	0.537	112	108.8242	0.288	112	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OMo)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OMo)	H(CCCH)	108.6854	0.482	28	108.6854	0.232	28	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CC[5a]CH)(CCHH)(COO)(OSi)	H(CCCH)	C(CCCO)(COO)(H)2	C(CC[5a]CH)(CCHH)(COO)(OSi)	H(CCCH)	108.4415	0.032	2	108.4415	0.001	2	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CC[6a]HH)(CCHH)(COO)(OH)	H(CCCH)	C(CCCO)(COO)(H)2	C(CC[6a]HH)(CCHH)(COO)(OH)	H(CCCH)	108.7832	0.168	4	108.7832	0.028	4	108.8298	0.504	170	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(NHS)(H)2	C(CHHN)(CH3)(CCH)(OH)	H(CCHN)	C(CCCO)(NHS)(H)2	C(CHHN)(CH3)(CCH)(OH)	H(CCHN)	110.0365	0.011	2	110.0365	0.000	2	110.0365	0.000	2	108.8438	0.515	172	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCC)(H)2	C(CCHH)(CH3)(COO)2	H(CCCH)	C(CC3)(CCC)(H)2	C(CCHH)(CH3)(COO)2	H(CCCH)	107.2682	0.627	4	107.2682	0.393	4	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCC)(H)2	C(CCHH)(CHHN)(CCH)(COO)	H(CCCH)	C(CC3)(CCC)(H)2	C(CCHH)(CHHN)(CCH)(COO)	H(CCCH)	108.1838	0.243	4	108.1838	0.059	4	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCC)(H)2	C(CCHH)(CHHO)(CCH)(COO)	H(CCCH)	C(CC3)(CCC)(H)2	C(CCHH)(CHHO)(CCH)(COO)	H(CCCH)	108.1590	0.006	2	108.1590	0.000	2	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CH3)(CCC)(COO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CH3)(CCC)(COO)	H(CCCH)	107.8205	0.005	2	107.8205	0.000	2	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)2(COO)2	H(CCCH)	108.8068	0.456	18	108.8068	0.207	18	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CCO)(COO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CCO)(COO)	H(CCCH)	109.1840	0.013	2	109.1840	0.000	2	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CC[5a]HH)(CCHH)(COO)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[5a]HH)(CCHH)(COO)2	H(CCCH)	108.1690	0.000	1	108.1690	0.000	1	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CCO)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CCCH)	C(CC3)(CCO)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CCCH)	108.7685	0.015	2	108.7685	0.000	2	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(COO)(H)2	C(CCHH)2(CCH)(COO)	H(CCCH)	C(CC3)(COO)(H)2	C(CCHH)2(CCH)(COO)	H(CCCH)	108.8960	0.035	2	108.8960	0.001	2	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(COO)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CCCH)	C(CC3)(COO)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CCCH)	110.1070	1.157	2	110.1070	1.338	2	108.5736	0.579	39	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCH)(H)2	C(CCHH)(CF3)(COO)(NHH)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CCHH)(CF3)(COO)(NHH)	H(CCCH)	109.4930	0.016	2	109.4930	0.000	2	108.5306	1.190	14	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCH)(H)2	C(CCHH)2(CCH)(NHS)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CCHH)2(CCH)(NHS)	H(CCCH)	108.8545	0.069	2	108.8545	0.005	2	108.5306	1.190	14	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NOO)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NOO)	H(CCCH)	106.5585	2.122	2	106.5585	4.503	2	108.5306	1.190	14	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCC)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCC)	H(CCCH)	109.0190	0.020	4	109.0190	0.000	4	108.5306	1.190	14	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCH)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCH)	H(CCCH)	108.3852	0.167	4	108.3852	0.028	4	108.5306	1.190	14	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-3:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OAlU)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OAlU)(COO)	H(CCCH)	108.3260	0.006	2	108.3260	0.000	2	108.3596	0.361	25	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-3:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OCo2)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OCo2)(COO)	H(CCCH)	109.0380	0.457	4	109.0380	0.209	4	108.3596	0.361	25	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-3:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OCuH)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OCuH)(COO)	H(CCCH)	108.2877	0.562	3	108.2877	0.315	3	108.3596	0.361	25	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-3:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OMnH)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OMnH)(COO)	H(CCCH)	108.0965	0.635	12	108.0965	0.403	12	108.3596	0.361	25	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-3:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(ONiH)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(ONiH)(COO)	H(CCCH)	108.5410	0.229	4	108.5410	0.053	4	108.3596	0.361	25	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(NOO)(H)2	C(CHHN)(CF3)(CCH)(NHS)	H(CCHN)	C(CCCN)(NOO)(H)2	C(CHHN)(CF3)(CCH)(NHS)	H(CCHN)	108.7270	0.070	3	108.7270	0.005	3	108.7270	0.005	3	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:N-3:	C-4:	C(CCNN)(NCC)(H)2	C(CHHN)2(NOO)2	H(CCHN)	C(CCNN)(NCC)(H)2	C(CHHN)2(NOO)2	H(CCHN)	108.7860	0.139	8	108.7860	0.019	8	108.7860	0.019	8	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:C-3:C-3:	C-4:	C(CCCN)(NCuC)(H)2	C(CHHN)(NCHH)(CHN)2	H(CCHN)	C(CCCN)(NCuC)(H)2	C(CHHN)(NCHH)(CHN)2	H(CCHN)	105.0740	0.318	2	105.0740	0.101	2	105.0740	0.101	2	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:N-3:C-3:	C-4:	C(CCCN)(OCoH)(H)2	C(CHHO)2(NCoC)(CHO)	H(CCHO)	C(CCCN)(OCoH)(H)2	C(CHHO)2(NCoC)(CHO)	H(CCHO)	109.7685	0.008	2	109.7685	0.000	2	109.7685	0.000	2	108.4832	0.811	93	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:4:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OCu2)(H)2	C(CHHO)2(NCuC)(CH3)	H(CCHO)	C(CCCN)(OCu2)(H)2	C(CHHO)2(NCuC)(CH3)	H(CCHO)	109.6317	0.119	4	109.6317	0.014	4	109.1380	0.145	27	109.1380	0.145	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:4:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OFe2)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	C(CCCN)(OFe2)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	108.8206	0.305	7	108.8206	0.093	7	109.1380	0.145	27	109.1380	0.145	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:4:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(OFeH)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	C(CCCN)(OFeH)(H)2	C(CHHO)2(NCoC)(CH3)	H(CCHO)	108.7555	0.087	2	108.7555	0.008	2	109.1380	0.145	27	109.1380	0.145	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:3:4:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(ONiH)(H)2	C(CHHO)2(NNiC)(CH3)	H(CCHO)	C(CCCN)(ONiH)(H)2	C(CHHO)2(NNiC)(CH3)	H(CCHO)	109.2102	0.294	14	109.2102	0.087	14	109.1380	0.145	27	109.1380	0.145	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(Br)(H)	C(CBrCH)(CCHH)(CH3)(H)	H(CBrCC)	C(CCCH)(CCO)(Br)(H)	C(CBrCH)(CCHH)(CH3)(H)	H(CBrCC)	105.9110	0.000	1	105.9110	0.000	1	107.0485	2.588	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(Br)(H)	C(CBrCH)2(CH3)(H)	H(CBrCC)	C(CCCH)(CCO)(Br)(H)	C(CBrCH)2(CH3)(H)	H(CBrCC)	108.1860	0.000	1	108.1860	0.000	1	107.0485	2.588	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCCH)(CCHH)(CCHO)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCCH)(CCHH)(CCHO)(H)	H(CCCH)	108.4155	0.089	4	108.4155	0.008	4	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.6940	0.453	3	108.6940	0.205	3	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.5804	0.782	16	108.5804	0.612	16	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	C(CCCH)(CCC)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	108.9540	0.006	2	108.9540	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	108.6965	0.060	2	108.6965	0.004	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	109.4447	0.413	4	109.4447	0.171	4	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CCHS)(CH3)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CCHS)(CH3)(H)	H(CCCH)	108.6930	0.028	2	108.6930	0.001	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.6750	0.108	3	108.6750	0.012	3	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	108.9360	0.012	4	108.9360	0.000	4	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.4661	0.363	10	108.4661	0.132	10	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	H(CCCH)	109.1830	0.000	1	109.1830	0.000	1	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CCCH)	C(CCCH)(CCH)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CCCH)	109.1670	0.000	1	109.1670	0.000	1	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.0730	0.614	4	108.0730	0.377	4	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CBrCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CBrCH)(CCHH)(CH3)(H)	H(CCCH)	106.9830	0.957	2	106.9830	0.917	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)(CC3)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)(CC3)(H)	H(CCCH)	108.2990	0.028	4	108.2990	0.001	4	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)(CH3)(H)	H(CCCH)	109.0565	0.037	2	109.0565	0.001	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	108.4900	0.025	2	108.4900	0.001	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	107.9795	0.019	2	107.9795	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.2980	0.398	7	108.2980	0.159	7	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	109.3667	2.111	16	109.3667	4.455	16	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	108.9180	0.014	2	108.9180	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CCCH)	108.2678	0.794	4	108.2678	0.631	4	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(H)2	C(CSiCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCO)(H)2	C(CSiCH)(CCHH)2(H)	H(CCCH)	108.4310	0.018	2	108.4310	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CClC)(H)2	C(CCHH)(CFHH)(CH3)(H)	H(CCCH)	C(CCCH)(CClC)(H)2	C(CCHH)(CFHH)(CH3)(H)	H(CCCH)	108.5110	0.076	2	108.5110	0.006	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.5530	0.024	2	108.5530	0.001	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	107.7910	0.006	2	107.7910	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.5615	0.045	2	108.5615	0.002	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	H(CCCH)	C(CCCH)(CNO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	H(CCCH)	109.0420	0.283	21	109.0420	0.080	21	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(H)2	C(CCHH)(CCl3)(CH3)(H)	H(CCCH)	C(CCCH)(CNO)(H)2	C(CCHH)(CCl3)(CH3)(H)	H(CCCH)	109.0530	0.025	2	109.0530	0.001	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CNO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	109.0998	0.739	12	109.0998	0.546	12	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CNO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	109.0084	0.517	10	109.0084	0.267	10	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CNO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CCCH)	109.5510	0.000	1	109.5510	0.000	1	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCCN)(CCHH)2(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCCN)(CCHH)2(H)	H(CCCH)	108.4910	1.860	2	108.4910	3.458	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CCHN)(CH3)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CCHN)(CH3)(H)	H(CCCH)	108.9893	0.252	6	108.9893	0.063	6	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	H(CCCH)	108.4955	0.424	12	108.4955	0.179	12	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.9109	0.220	8	108.9109	0.048	8	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	109.0441	0.407	7	109.0441	0.165	7	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	108.3595	0.023	2	108.3595	0.001	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)2(CF3)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)2(CF3)(H)	H(CCCH)	111.2632	1.396	4	111.2632	1.948	4	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	109.0990	0.243	6	109.0990	0.059	6	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	108.7598	0.480	40	108.7598	0.230	40	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	H(CCCH)	108.6750	0.016	2	108.6750	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	H(CCCH)	108.7660	0.000	1	108.7660	0.000	1	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[6]CH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[6]CH)(CCHH)(CH3)(H)	H(CCCH)	107.6835	2.105	2	107.6835	4.431	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[6a]CC)(CCHH)2(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[6a]CC)(CCHH)2(H)	H(CCCH)	109.0745	0.069	2	109.0745	0.005	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CCCH)	109.1725	0.021	2	109.1725	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	H(CCCH)	108.8055	0.022	2	108.8055	0.000	2	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(COO)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CCCH)	108.9353	0.157	6	108.9353	0.025	6	108.8155	0.705	257	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CCH)(H)2	C(CCHH)2(NH3)(H)	H(CCCH)	C(CCHN)(CCH)(H)2	C(CCHH)2(NH3)(H)	H(CCCH)	109.1530	0.014	2	109.1530	0.000	2	108.8079	2.450	10	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(CCCH)	C(CCHN)(CHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(CCCH)	108.9390	0.048	2	108.9390	0.002	2	108.8079	2.450	10	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CCHH)2(NCCH)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CCHH)2(NCCH)(H)	H(CCCH)	106.5325	1.848	2	106.5325	3.414	2	108.8079	2.450	10	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CNO)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	H(CCCH)	C(CCHN)(CNO)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	H(CCCH)	109.8265	0.005	2	109.8265	0.000	2	108.8079	2.450	10	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCCH)(H)	H(CCCH)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCCH)(H)	H(CCCH)	109.5885	2.170	2	109.5885	4.709	2	108.8079	2.450	10	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:Si-4:H-1:	C-4:	C(CSiCH)(COO)(H)2	C(CN[5]CH)(CCHH)(SiC3)(H)	H(CCCH)	C(CSiCH)(COO)(H)2	C(CN[5]CH)(CCHH)(SiC3)(H)	H(CCCH)	108.4385	0.052	2	108.4385	0.003	2	108.4385	0.003	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(CCH)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CCHS)(CCH)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	108.5778	0.061	4	108.5778	0.004	4	108.5778	0.004	4	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(COO)(H)2	C(C[3]C[3]2C)(CCHH)2(H)	H(CCCH)	C(CC[3]CH)(COO)(H)2	C(C[3]C[3]2C)(CCHH)2(H)	H(CCCH)	108.4433	0.079	4	108.4433	0.006	4	108.4433	0.006	4	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x6]CH)(COO)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	H(CCCH)	C(CC[3x6]CH)(COO)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	H(CCCH)	108.2095	0.005	2	108.2095	0.000	2	108.2095	0.000	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(CCO)(H)2	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,5,6]CH)(CCO)(H)2	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	H(CCCH)	107.7302	0.431	6	107.7302	0.186	6	107.3925	0.318	11	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5,6]CH)(CCO)(H)2	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,5,6]CH)(CCO)(H)2	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	H(CCCH)	106.9874	0.432	5	106.9874	0.186	5	107.3925	0.318	11	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(CCH)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,5]CH)(CCH)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	108.4900	0.016	2	108.4900	0.000	2	109.4095	0.565	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(CCO)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,5]CH)(CCO)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	H(CCCH)	109.8692	0.310	4	109.8692	0.096	4	109.4095	0.565	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCC)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CCC)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	H(CCCH)	109.0705	0.062	2	109.0705	0.004	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.5200	0.107	2	108.5200	0.012	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	H(CCCH)	108.5980	0.000	1	108.5980	0.000	1	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	108.7445	0.063	2	108.7445	0.004	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(CCCH)	106.9718	2.510	4	106.9718	6.299	4	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	H(CCCH)	107.7650	0.011	2	107.7650	0.000	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	H(CCCH)	109.2245	0.011	2	109.2245	0.000	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(CCCH)	109.1407	0.173	4	109.1407	0.030	4	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)2(H)	H(CCCH)	108.9805	0.028	2	108.9805	0.001	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	109.0595	0.075	6	109.0595	0.006	6	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.2243	0.365	6	108.2243	0.133	6	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	H(CCCH)	109.3180	0.025	2	109.3180	0.001	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	H(CCCH)	108.3550	0.047	2	108.3550	0.002	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]O)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	109.7370	0.000	1	109.7370	0.000	1	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]O)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]O)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	107.2430	0.044	2	107.2430	0.002	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5a]O)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	H(CCCH)	C(CC[5]CH)(CC[5a]O)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	H(CCCH)	108.9110	0.000	1	108.9110	0.000	1	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5a]O)(H)2	C(C[5]C[5]2C)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5a]O)(H)2	C(C[5]C[5]2C)(CCHH)(CH3)(H)	H(CCCH)	108.8870	0.025	2	108.8870	0.001	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	H(CCCH)	108.6960	0.279	4	108.6960	0.078	4	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[5]CH)(CC[6a]O)(H)2	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	H(CCCH)	109.0265	0.008	2	109.0265	0.000	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CNO)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	H(CCCH)	C(CC[5]CH)(CNO)(H)2	C(C[5]C[5]2C)(CCHH)(CF3)(H)	H(CCCH)	109.1629	0.173	11	109.1629	0.030	11	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(COO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.3365	0.212	6	108.3365	0.045	6	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	H(CCCH)	C(CC[5]CH)(COO)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	H(CCCH)	108.9250	0.000	1	108.9250	0.000	1	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)(H)2	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[5]CH)(COO)(H)2	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	H(CCCH)	109.3400	2.444	2	109.3400	5.972	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(COO)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCCH)	109.2345	0.008	2	109.2345	0.000	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	H(CCCH)	C(CC[5]CH)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	H(CCCH)	109.2180	0.058	2	109.2180	0.003	2	108.7092	0.776	73	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	C-4:	C(CC[5]HN)(CNO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(CCCH)	C(CC[5]HN)(CNO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(CCCH)	109.3605	0.059	2	109.3605	0.003	2	108.9605	0.143	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	C-4:	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(CCCH)	C(CC[5]HN)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(CCCH)	108.7605	0.279	4	108.7605	0.078	4	108.9605	0.143	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[5]2H)(CCO)(H)2	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	H(CCCH)	C(CC[5]2H)(CCO)(H)2	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	H(CCCH)	108.4510	0.004	2	108.4510	0.000	2	108.4510	0.000	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[5]C[6]H)(CCO)(H)2	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[5]C[6]H)(CCO)(H)2	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.6320	0.000	1	108.6320	0.000	1	108.6488	0.030	5	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[5]C[6]H)(CCO)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[5]C[6]H)(CCO)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.6530	0.201	4	108.6530	0.040	4	108.6488	0.030	5	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HP)(CC[6a]O)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	C(CC[5]HP)(CC[6a]O)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	108.9115	0.009	2	108.9115	0.000	2	108.9115	0.000	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:Si-4:C-4:H-1:	C-4:	C(CC[5]SiH)(CC[5]O)(H)2	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	H(CCCH)	C(CC[5]SiH)(CC[5]O)(H)2	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	H(CCCH)	110.2445	2.087	2	110.2445	4.354	2	110.2445	4.354	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCO)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCO)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	108.5405	0.051	4	108.5405	0.003	4	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCO)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCO)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	108.6353	0.348	3	108.6353	0.121	3	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCO)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	C(CC[6]CH)(CCO)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	108.3363	0.985	3	108.3363	0.971	3	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CC[5a]O)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CC[5a]O)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	108.6700	0.028	2	108.6700	0.001	2	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CNO)(H)2	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CNO)(H)2	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	H(CCCH)	109.3105	0.036	2	109.3105	0.001	2	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	109.3440	0.010	2	109.3440	0.000	2	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	109.5100	0.008	2	109.5100	0.000	2	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	H(CCCH)	109.7760	0.782	2	109.7760	0.612	2	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	H(CCCH)	108.8520	0.007	2	108.8520	0.000	2	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.4590	0.000	1	108.4590	0.000	1	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.9852	0.070	4	108.9852	0.005	4	108.9038	0.302	27	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[6]2H)(CCO)(H)2	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6]2H)(CCO)(H)2	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	107.5763	0.052	4	107.5763	0.003	4	107.5763	0.003	4	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CN[6]CH)(COO)(H)2	C(N[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	109.0355	0.023	2	109.0355	0.001	2	109.0355	0.001	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CCO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCCH)	C(CCHP)(CCO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCCH)	108.5675	0.057	2	108.5675	0.003	2	108.9744	0.093	16	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CCO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	C(CCHP)(CCO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	108.8448	0.255	4	108.8448	0.065	4	108.9744	0.093	16	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CNO)(H)2	C(PC[6a]2O)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)(CNO)(H)2	C(PC[6a]2O)(CCHH)(CH3)(H)	H(CCCH)	109.2185	0.026	2	109.2185	0.001	2	108.9744	0.093	16	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(COO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCCH)	C(CCHP)(COO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCCH)	108.8727	0.267	4	108.8727	0.071	4	108.9744	0.093	16	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(COO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	C(CCHP)(COO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	109.2873	0.107	4	109.2873	0.011	4	108.9744	0.093	16	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	P-4:P-4:C-4:H-1:	C-4:	C(CHPP)(CCO)(H)2	C(PC[6a]2O)2(CCHH)(H)	H(CCCH)	C(CHPP)(CCO)(H)2	C(PC[6a]2O)2(CCHH)(H)	H(CCCH)	108.9160	0.004	2	108.9160	0.000	2	108.9160	0.000	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	S-4:S-4:C-4:H-1:	C-4:	C(CHSS)(CCH)(H)2	C(SC[6a]OO)2(CCHH)(H)	H(CCCH)	C(CHSS)(CCH)(H)2	C(SC[6a]OO)2(CCHH)(H)	H(CCCH)	108.0160	0.021	2	108.0160	0.000	2	108.3325	0.072	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	S-4:S-4:C-4:H-1:	C-4:	C(CHSS)(CCN)(H)2	C(SC[6a]OO)2(CCHH)(H)	H(CCCH)	C(CHSS)(CCN)(H)2	C(SC[6a]OO)2(CCHH)(H)	H(CCCH)	108.4907	0.142	4	108.4907	0.020	4	108.3325	0.072	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	Si-4:Si-4:C-4:H-1:	C-4:	C(CSi2H)(CHO)(H)2	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	H(CCCH)	C(CSi2H)(CHO)(H)2	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	H(CCCH)	108.4870	0.013	2	108.4870	0.000	2	108.4870	0.000	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(NCS)(H)2	C(CC[6a]HO)(CHHN)(CH3)(Br)	H(CCHN)	C(CBrCC)(NCS)(H)2	C(CC[6a]HO)(CHHN)(CH3)(Br)	H(CCHN)	109.1428	0.149	4	109.1428	0.022	4	109.1428	0.022	4	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(NCoC)(H)2	C(CHHN)3(Cl)	H(CCHN)	C(CClCC)(NCoC)(H)2	C(CHHN)3(Cl)	H(CCHN)	100.0697	7.620	2	100.0697	58.066	2	100.0697	58.066	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NAlC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NAlC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.8319	0.354	10	108.8319	0.126	10	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CCCH)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CCCH)(CHHN)(CH3)(H)	H(CCHN)	108.7720	0.000	1	108.7720	0.000	1	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHN)	108.6555	0.021	2	108.6555	0.000	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	H(CCHN)	108.3298	0.431	9	108.3298	0.186	9	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	H(CCHN)	108.8948	0.107	4	108.8948	0.011	4	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NCC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.7504	0.243	85	108.7504	0.059	85	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	H(CCHN)	108.4500	0.000	1	108.4500	0.000	1	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CC[6a]HN)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CC[6a]HN)(CHHN)(CH3)(H)	H(CCHN)	108.2515	0.015	2	108.2515	0.000	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CC[6a]HO)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CC[6a]HO)(CHHN)(CH3)(H)	H(CCHN)	109.2400	0.020	2	109.2400	0.000	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.9596	0.678	29	108.9596	0.460	29	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCN)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NCN)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.9639	0.302	10	108.9639	0.091	10	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NCP)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.4705	0.547	62	108.4705	0.299	62	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCS)(H)2	C(CCHO)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCS)(H)2	C(CCHO)(CHHN)(CH3)(H)	H(CCHN)	108.2955	0.074	2	108.2955	0.006	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NCS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.0634	0.058	7	109.0634	0.003	7	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCuC)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CCHN)	C(CCCH)(NCuC)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CCHN)	109.1523	0.111	8	109.1523	0.012	8	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCuC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NCuC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.6937	0.311	4	108.6937	0.097	4	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NHS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NHS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.0531	0.208	9	109.0531	0.043	9	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	H(CCHN)	109.3685	0.511	30	109.3685	0.261	30	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CCHH)(CCNP)(CHHN)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CCHH)(CCNP)(CHHN)(H)	H(CCHN)	109.1920	0.018	2	109.1920	0.000	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCHN)	109.1123	0.042	4	109.1123	0.002	4	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCHN)	108.7990	0.027	2	108.7990	0.001	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NOO)(H)2	C(CC[6a]CN)(CHHN)(CC3)(H)	H(CCHN)	C(CCCH)(NOO)(H)2	C(CC[6a]CN)(CHHN)(CC3)(H)	H(CCHN)	108.7410	0.007	2	108.7410	0.000	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NPS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NPS)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.0960	0.033	2	108.0960	0.001	2	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NPdC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NPdC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.8350	0.027	8	108.8350	0.001	8	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NPtC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NPtC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	109.0794	0.309	9	109.0794	0.095	9	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NSnC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NSnC)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.6937	0.382	4	108.6937	0.146	4	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NTcC)(H)2	C(CCHH)(CHHN)2(H)	H(CCHN)	C(CCCH)(NTcC)(H)2	C(CCHH)(CHHN)2(H)	H(CCHN)	108.5832	1.556	4	108.5832	2.420	4	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NTcC)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CCHN)	C(CCCH)(NTcC)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CCHN)	110.0362	2.149	4	110.0362	4.618	4	108.8211	0.322	318	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCHH)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCHH)(H)	H(CCHN)	109.1930	0.000	1	109.1930	0.000	1	109.1916	0.016	5	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(NHH)(H)2	C(CCHN)(CHHN)(NH3)(H)	H(CCHN)	C(CCHN)(NHH)(H)2	C(CCHN)(CHHN)(NH3)(H)	H(CCHN)	109.0695	0.019	2	109.0695	0.000	2	109.1916	0.016	5	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(NHH)(H)2	C(CHHN)(CH3)(NH3)(H)	H(CCHN)	C(CCHN)(NHH)(H)2	C(CHHN)(CH3)(NH3)(H)	H(CCHN)	109.3130	0.072	2	109.3130	0.005	2	109.1916	0.016	5	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(NCH)(H)2	C(CHHN)(NCHH)(CH3)(H)	H(CCHN)	C(CCHN)(NCH)(H)2	C(CHHN)(NCHH)(CH3)(H)	H(CCHN)	108.6698	1.448	12	108.6698	2.098	12	108.6698	2.098	12	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	H(CCHN)	111.6490	0.325	2	111.6490	0.106	2	109.9073	1.912	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	H(CCHN)	108.7405	0.030	2	108.7405	0.001	2	109.9073	1.912	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	H(CCHN)	109.3325	0.016	2	109.3325	0.000	2	109.9073	1.912	6	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	H(CCHN)	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	H(CCHN)	108.4370	0.764	2	108.4370	0.583	2	108.8555	0.137	10	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	H(CCHN)	C(CC[5]2H)(NOO)(H)2	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	H(CCHN)	108.9601	0.173	8	108.9601	0.030	8	108.8555	0.137	10	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(NHH)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[6]CH)(NHH)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	H(CCHN)	109.1355	0.037	2	109.1355	0.001	2	109.1355	0.001	2	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(OFe2)(H)2	C(NFeCC)(CHHO)(CH3)(H)	H(CCHO)	C(CCHN)(OFe2)(H)2	C(NFeCC)(CHHO)(CH3)(H)	H(CCHO)	110.3630	0.004	2	110.3630	0.000	2	110.1804	0.017	17	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(OFe2)(H)2	C(NFeCH)(CCHH)(CHHO)(H)	H(CCHO)	C(CCHN)(OFe2)(H)2	C(NFeCH)(CCHH)(CHHO)(H)	H(CCHO)	110.1560	0.117	15	110.1560	0.014	15	110.1804	0.017	17	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SCO)(H)2	C(CCHH)2(CHHS)(H)	H(CCHS)	C(CCCH)(SCO)(H)2	C(CCHH)2(CHHS)(H)	H(CCHS)	109.2730	0.024	2	109.2730	0.001	2	108.3901	0.263	22	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SFe2)(H)2	C(CCCH)(CHHS)2(H)	H(CCHS)	C(CCCH)(SFe2)(H)2	C(CCCH)(CHHS)2(H)	H(CCHS)	107.9453	0.319	10	107.9453	0.102	10	108.3901	0.263	22	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SPdC)(H)2	C(CHHS)(CH3)2(H)	H(CCHS)	C(CCCH)(SPdC)(H)2	C(CHHS)(CH3)2(H)	H(CCHS)	108.6584	0.197	10	108.6584	0.039	10	108.3901	0.263	22	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:S-3:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(SPdC)(H)2	C(C[5]C[5]2Fe)(NPdCC)(CHHS)(H)	H(CCHS)	C(CC[5]HN)(SPdC)(H)2	C(C[5]C[5]2Fe)(NPdCC)(CHHS)(H)	H(CCHS)	109.7707	0.038	4	109.7707	0.001	4	109.7707	0.001	4	108.7949	0.860	849	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(CN)	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(CN)	H(CCCH)	108.0475	0.005	2	108.0475	0.000	2	107.9560	0.011	4	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(CCO)(H)2	C(CCHH)(CH3)2(CN)	H(CCCH)	C(CC3)(CCO)(H)2	C(CCHH)(CH3)2(CN)	H(CCCH)	107.8645	0.013	2	107.8645	0.000	2	107.9560	0.011	4	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCH)(H)2	C(CCCH)2(CCHH)(OH)	H(CCCH)	C(CCCO)(CCH)(H)2	C(CCCH)2(CCHH)(OH)	H(CCCH)	107.9030	0.017	3	107.9030	0.000	3	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	H(CCCH)	C(CCCO)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	H(CCCH)	107.4715	0.012	2	107.4715	0.000	2	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCH)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	C(CCCO)(CCH)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	108.4920	0.047	2	108.4920	0.002	2	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCH)(H)2	C(CC[6]CH)(CCHH)2(OH)	H(CCCH)	C(CCCO)(CCH)(H)2	C(CC[6]CH)(CCHH)2(OH)	H(CCCH)	108.5102	0.185	4	108.5102	0.034	4	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OAl)	H(CCCH)	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OAl)	H(CCCH)	108.4456	0.532	19	108.4456	0.283	19	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	108.1431	0.181	8	108.1431	0.033	8	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OPd)	H(CCCH)	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OPd)	H(CCCH)	108.8315	0.033	2	108.8315	0.001	2	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OZn)	H(CCCH)	C(CCCO)(CCN)(H)2	C(CCHH)(CF3)2(OZn)	H(CCCH)	108.3187	0.179	4	108.3187	0.032	4	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCN)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	C(CCCO)(CCN)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	108.1248	0.085	5	108.1248	0.007	5	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCO)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	C(CCCO)(CCO)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	108.3330	0.356	4	108.3330	0.127	4	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCO)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	C(CCCO)(CCO)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	108.7479	0.677	8	108.7479	0.459	8	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CNO)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	C(CCCO)(CNO)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	107.9510	0.006	2	107.9510	0.000	2	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CNiC)(H)2	C(CCHH)(CH3)2(ONi)	H(CCCH)	C(CCCO)(CNiC)(H)2	C(CCHH)(CH3)2(ONi)	H(CCCH)	108.8615	0.329	2	108.8615	0.108	2	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	108.7570	0.019	4	108.7570	0.000	4	108.3887	0.227	69	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(CNO)(H)2	C(CCHH)(CH3)2(SCo)	H(CCCH)	C(CCCS)(CNO)(H)2	C(CCHH)(CH3)2(SCo)	H(CCCH)	107.0980	0.819	2	107.0980	0.670	2	107.0980	0.670	2	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NC)	H(CCHN)	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NC)	H(CCHN)	108.9313	0.066	3	108.9313	0.004	3	108.9313	0.004	3	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CF3)2(OH)	H(CCHN)	C(CCCO)(NCC)(H)2	C(CHHN)(CF3)2(OH)	H(CCHN)	109.9020	0.215	5	109.9020	0.046	5	108.7253	0.588	49	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OGe)	H(CCHN)	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OGe)	H(CCHN)	109.5097	0.047	4	109.5097	0.002	4	108.7253	0.588	49	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	H(CCHN)	C(CCCO)(NCC)(H)2	C(CHHN)(CH3)2(OH)	H(CCHN)	108.2170	0.518	28	108.2170	0.268	28	108.7253	0.588	49	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NCC)(H)2	C(CHHN)(CHHO)2(OH)	H(CCHN)	C(CCCO)(NCC)(H)2	C(CHHN)(CHHO)2(OH)	H(CCHN)	108.4380	0.016	2	108.4380	0.000	2	108.7253	0.588	49	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NCH)(H)2	C(CHHN)(CH3)2(OH)	H(CCHN)	C(CCCO)(NCH)(H)2	C(CHHN)(CH3)2(OH)	H(CCHN)	109.1100	0.021	2	109.1100	0.000	2	108.7253	0.588	49	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NCH)(H)2	C(CHHN)3(OSn)	H(CCHN)	C(CCCO)(NCH)(H)2	C(CHHN)3(OSn)	H(CCHN)	109.3522	0.281	8	109.3522	0.079	8	108.7253	0.588	49	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(NCC)(H)2	C(CHHN)(CH3)2(SGe)	H(CCHN)	C(CCCS)(NCC)(H)2	C(CHHN)(CH3)2(SGe)	H(CCHN)	108.3814	0.062	10	108.3814	0.004	10	108.7265	0.247	19	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(NCH)(H)2	C(CHHN)(CH3)2(SC)	H(CCHN)	C(CCCS)(NCH)(H)2	C(CHHN)(CH3)2(SC)	H(CCHN)	108.6375	0.052	4	108.6375	0.003	4	108.7265	0.247	19	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(NCoC)(H)2	C(CHHN)(CH3)2(SCo)	H(CCHN)	C(CCCS)(NCoC)(H)2	C(CHHN)(CH3)2(SCo)	H(CCHN)	109.4880	0.261	5	109.4880	0.068	5	108.7265	0.247	19	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:N-3:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	H(CCHN)	C(CC[5]CO)(NOO)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	H(CCHN)	109.7250	0.014	2	109.7250	0.000	2	109.7250	0.000	2	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(OLiC)(H)2	C(CHHO)(CH3)2(OLi)	H(CCHO)	C(CCCO)(OLiC)(H)2	C(CHHO)(CH3)2(OLi)	H(CCHO)	109.9335	0.008	2	109.9335	0.000	2	109.9335	0.000	2	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OGe)	H(CCHP)	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OGe)	H(CCHP)	109.2254	0.079	7	109.2254	0.006	7	108.9167	0.098	16	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	108.3850	0.000	1	108.3850	0.000	1	108.9167	0.098	16	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(PCC)(H)2	C(CHHP)(CH3)2(OB)	H(CCHP)	C(CCCO)(PCC)(H)2	C(CHHP)(CH3)2(OB)	H(CCHP)	108.7130	0.146	8	108.7130	0.021	8	108.9167	0.098	16	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(SReC)(H)2	C(CHHS)(CH3)2(SRe)	H(CCHS)	C(CCCS)(SReC)(H)2	C(CHHS)(CH3)2(SRe)	H(CCHS)	109.6178	0.460	16	109.6178	0.212	16	109.6178	0.212	16	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:2:	4:	C-4:S-3:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(COPP)(SCC)(H)2	C(CHHS)(PO3)2(OH)	H(CCHS)	C(COPP)(SCC)(H)2	C(CHHS)(PO3)2(OH)	H(CCHS)	113.1300	0.963	2	113.1300	0.928	2	113.1300	0.928	2	108.7343	0.694	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CCC)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	C(CC3)(CCC)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	107.5383	0.476	4	107.5383	0.227	4	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(COO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(COO)	H(CCCH)	108.7750	0.041	2	108.7750	0.002	2	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CH3)2(CCH)	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CH3)2(CCH)	H(CCCH)	108.9074	0.325	24	108.9074	0.106	24	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CH3)2(CCO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CH3)2(CCO)	H(CCCH)	109.1475	0.009	2	109.1475	0.000	2	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)2(CH3)(CNO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)2(CH3)(CNO)	H(CCCH)	108.2725	0.022	2	108.2725	0.000	2	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CCO)(H)2	C(CCHH)(CH3)2(CCO)	H(CCCH)	C(CC3)(CCO)(H)2	C(CCHH)(CH3)2(CCO)	H(CCCH)	108.8375	0.012	2	108.8375	0.000	2	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CHH)(H)2	C(CC[6]HO)(CCHH)2(CCS)	H(CCCH)	C(CC3)(CHH)(H)2	C(CC[6]HO)(CCHH)2(CCS)	H(CCCH)	112.2270	2.037	4	112.2270	4.149	4	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(COO)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	C(CC3)(COO)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	108.5175	0.022	2	108.5175	0.000	2	109.0462	1.649	42	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCH)(H)2	C(CCCH)(CCHH)2(NHS)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CCCH)(CCHH)2(NHS)	H(CCCH)	108.9320	0.000	1	108.9320	0.000	1	108.5639	0.217	13	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCH)(H)2	C(CCHH)(CF3)(CH3)(NHS)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CCHH)(CF3)(CH3)(NHS)	H(CCCH)	108.9820	0.034	2	108.9820	0.001	2	108.5639	0.217	13	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCO)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	C(CCCN)(CCO)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	108.5024	0.561	7	108.5024	0.315	7	108.5639	0.217	13	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(COO)(H)2	C(CCHH)2(CH3)(NCH)	H(CCCH)	C(CCCN)(COO)(H)2	C(CCHH)2(CH3)(NCH)	H(CCCH)	108.3060	0.028	3	108.3060	0.001	3	108.5639	0.217	13	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(CCH)(H)2	C(CCHH)(CH3)(NH3)(COO)	H(CCCH)	C(CCCN)(CCH)(H)2	C(CCHH)(CH3)(NH3)(COO)	H(CCCH)	108.7350	0.076	4	108.7350	0.006	4	108.6256	0.025	8	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(COO)(H)2	C(CCHH)(CH3)(NH3)(COO)	H(CCCH)	C(CCCN)(COO)(H)2	C(CCHH)(CH3)(NH3)(COO)	H(CCCH)	108.5162	0.145	4	108.5162	0.021	4	108.6256	0.025	8	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-4:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OCo3)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OCo3)(COO)	H(CCCH)	109.6103	0.257	3	109.6103	0.066	3	109.7475	0.024	23	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-4:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OFe3)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OFe3)(COO)	H(CCCH)	109.9120	0.098	4	109.9120	0.010	4	109.7475	0.024	23	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-4:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OMg3)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OMg3)(COO)	H(CCCH)	109.8030	0.065	4	109.8030	0.004	4	109.7475	0.024	23	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-4:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OMn3)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OMn3)(COO)	H(CCCH)	109.7465	0.081	4	109.7465	0.007	4	109.7475	0.024	23	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-4:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(ONi3)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(ONi3)(COO)	H(CCCH)	109.7147	0.176	4	109.7147	0.031	4	109.7475	0.024	23	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:O-4:C-3:	C-4:	C(CCCO)(COO)(H)2	C(CCHH)2(OZn3)(COO)	H(CCCH)	C(CCCO)(COO)(H)2	C(CCHH)2(OZn3)(COO)	H(CCCH)	109.6642	0.112	4	109.6642	0.012	4	109.7475	0.024	23	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(NCH)(H)2	C(CHHN)(CH3)2(CHN)	H(CCHN)	C(CC3)(NCH)(H)2	C(CHHN)(CH3)2(CHN)	H(CCHN)	109.0697	0.053	3	109.0697	0.003	3	109.2520	0.064	5	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(NHS)(H)2	C(CHHN)(CH3)2(CNO)	H(CCHN)	C(CC3)(NHS)(H)2	C(CHHN)(CH3)2(CNO)	H(CCHN)	109.5255	0.013	2	109.5255	0.000	2	109.2520	0.064	5	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NCC)(H)2	C(CHHN)2(CH3)(NOO)	H(CCHN)	C(CCCN)(NCC)(H)2	C(CHHN)2(CH3)(NOO)	H(CCHN)	108.0192	1.467	4	108.0192	2.153	4	106.7191	46.229	14	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NCH)	H(CCHN)	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NCH)	H(CCHN)	109.1538	0.089	6	109.1538	0.008	6	106.7191	46.229	14	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NHH)	H(CCHN)	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NHH)	H(CCHN)	108.9260	0.007	2	108.9260	0.000	2	106.7191	46.229	14	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NCoC)(H)2	C(CHHN)3(NCN)	H(CCHN)	C(CCCN)(NCoC)(H)2	C(CHHN)3(NCN)	H(CCHN)	94.6075	15.781	2	94.6075	249.024	2	106.7191	46.229	14	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:O-3:	C-4:	C(CCCO)(NCC)(H)2	C(CHHN)3(OZn2)	H(CCHN)	C(CCCO)(NCC)(H)2	C(CHHN)3(OZn2)	H(CCHN)	108.5899	0.414	16	108.5899	0.171	16	108.5899	0.171	16	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OCo2)(H)2	C(CHHO)3(NCoC)	H(CCHO)	C(CCCN)(OCo2)(H)2	C(CHHO)3(NCoC)	H(CCHO)	109.4477	0.071	4	109.4477	0.005	4	109.5148	0.157	44	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OCoH)(H)2	C(CHHO)3(NCoC)	H(CCHO)	C(CCCN)(OCoH)(H)2	C(CHHO)3(NCoC)	H(CCHO)	109.7300	0.038	2	109.7300	0.001	2	109.5148	0.157	44	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OCuH)(H)2	C(CHHO)3(NCuC)	H(CCHO)	C(CCCN)(OCuH)(H)2	C(CHHO)3(NCuC)	H(CCHO)	110.0208	0.204	6	110.0208	0.042	6	109.5148	0.157	44	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(ONiH)(H)2	C(CCHH)(CHHO)2(NNiC)	H(CCHO)	C(CCCN)(ONiH)(H)2	C(CCHH)(CHHO)2(NNiC)	H(CCHO)	109.1135	0.061	4	109.1135	0.004	4	109.5148	0.157	44	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(ONiH)(H)2	C(CHHO)3(NNiC)	H(CCHO)	C(CCCN)(ONiH)(H)2	C(CHHO)3(NNiC)	H(CCHO)	109.5643	0.400	18	109.5643	0.160	18	109.5148	0.157	44	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OZnH)(H)2	C(CHHO)3(NCH)	H(CCHO)	C(CCCN)(OZnH)(H)2	C(CHHO)3(NCH)	H(CCHO)	108.9490	0.142	4	108.9490	0.020	4	109.5148	0.157	44	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:3:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(OZnH)(H)2	C(CHHO)3(NZnC)	H(CCHO)	C(CCCN)(OZnH)(H)2	C(CHHO)3(NZnC)	H(CCHO)	109.4780	0.152	6	109.4780	0.023	6	109.5148	0.157	44	108.9751	4.789	165	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(Br)(H)	C(CBrCH)(CC3)(CH3)2	H(CBrCC)	C(CC3)(CCO)(Br)(H)	C(CBrCH)(CC3)(CH3)2	H(CBrCC)	107.5490	0.000	1	107.5490	0.000	1	107.6373	0.533	4	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(Br)(H)	C(CBrCH)(CCHH)(CH3)2	H(CBrCC)	C(CC3)(CCO)(Br)(H)	C(CBrCH)(CCHH)(CH3)2	H(CBrCC)	107.6840	1.260	2	107.6840	1.588	2	107.6373	0.533	4	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:Br-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(Br)(H)	C(CBrCH)(CH3)3	H(CBrCC)	C(CC3)(CCO)(Br)(H)	C(CBrCH)(CH3)3	H(CBrCC)	107.6320	0.000	1	107.6320	0.000	1	107.6373	0.533	4	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCC)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC3)(CCC)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.8045	0.012	2	107.8045	0.000	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCC)(H)2	C(CCo2C)(CCHH)(CH3)2	H(CCCH)	C(CC3)(CCC)(H)2	C(CCo2C)(CCHH)(CH3)2	H(CCCH)	107.9060	0.118	6	107.9060	0.014	6	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCC)(H)2	C(CN[5a]HH)(CCHH)(CH3)2	H(CCCH)	C(CC3)(CCC)(H)2	C(CN[5a]HH)(CCHH)(CH3)2	H(CCCH)	106.9812	0.052	5	106.9812	0.003	5	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CC3)(CH3)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CC3)(CH3)2	H(CCCH)	108.8130	0.013	2	108.8130	0.000	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)2	H(CCCH)	108.3820	0.373	8	108.3820	0.139	8	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCCH)	107.8360	0.000	1	107.8360	0.000	1	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCCH)	108.3730	0.028	2	108.3730	0.001	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	108.9145	0.029	2	108.9145	0.001	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	H(CCCH)	108.0830	0.164	4	108.0830	0.027	4	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CCCH)	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CCCH)	108.3483	0.071	4	108.3483	0.005	4	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCN)(H)2	C(CPdHH)(CCHH)(CH3)2	H(CCCH)	C(CC3)(CCN)(H)2	C(CPdHH)(CCHH)(CH3)2	H(CCCH)	107.9900	0.000	1	107.9900	0.000	1	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC3)(CCO)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.3517	0.672	4	108.3517	0.452	4	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CC3)(CCO)(H)2	C(CCHH)2(CH3)2	H(CCCH)	109.0580	0.376	2	109.0580	0.142	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(H)2	C(CFeCH)(CCHH)(CH3)2	H(CCCH)	C(CC3)(CCO)(H)2	C(CFeCH)(CCHH)(CH3)2	H(CCCH)	109.0330	0.010	2	109.0330	0.000	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CNO)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC3)(CNO)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.2204	0.493	10	108.2204	0.243	10	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CNO)(H)2	C(CCHH)(CHHS)(CH3)2	H(CCCH)	C(CC3)(CNO)(H)2	C(CCHH)(CHHS)(CH3)2	H(CCCH)	109.1570	0.000	1	109.1570	0.000	1	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CNO)(H)2	C(CPdHH)(CCHH)(CH3)2	H(CCCH)	C(CC3)(CNO)(H)2	C(CPdHH)(CCHH)(CH3)2	H(CCCH)	107.3435	0.009	2	107.3435	0.000	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC3)(COO)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.8676	0.329	19	108.8676	0.108	19	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CC3)(COO)(H)2	C(CCHH)2(CH3)2	H(CCCH)	108.5819	0.298	29	108.5819	0.089	29	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)(H)2	C(CC[6a]HH)(CCHH)(CH3)2	H(CCCH)	C(CC3)(COO)(H)2	C(CC[6a]HH)(CCHH)(CH3)2	H(CCCH)	108.8630	0.045	2	108.8630	0.002	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COW)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC3)(COW)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.5180	0.059	2	107.5180	0.004	2	108.4047	0.323	110	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CCO)(H)2	C(CCHH)(CH3)2(NH3)	H(CCCH)	C(CCCN)(CCO)(H)2	C(CCHH)(CH3)2(NH3)	H(CCCH)	108.1455	0.015	2	108.1455	0.000	2	108.1455	0.000	2	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(CCHH)(NCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(CCHH)(NCHH)(CH3)2	H(CCCH)	107.7346	0.859	14	107.7346	0.739	14	107.7546	0.568	18	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(CCO)(H)2	C(CCHH)(NCHH)(CH3)2	H(CCCH)	C(CCCN)(CCO)(H)2	C(CCHH)(NCHH)(CH3)2	H(CCCH)	107.7455	0.019	2	107.7455	0.000	2	107.7546	0.568	18	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(CCO)(H)2	C(CCHH)(NHHN)(CH3)2	H(CCCH)	C(CCCN)(CCO)(H)2	C(CCHH)(NHHN)(CH3)2	H(CCCH)	107.9035	0.026	2	107.9035	0.001	2	107.7546	0.568	18	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(CCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	H(CCCH)	C(CC[3]CC)(CCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	H(CCCH)	108.7552	0.156	6	108.7552	0.024	6	108.7552	0.024	6	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCH)(H)2	C(C[5]C[5]2Ni)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCH)(H)2	C(C[5]C[5]2Ni)(CCHH)(CH3)2	H(CCCH)	108.9173	0.404	12	108.9173	0.164	12	108.8899	0.267	24	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCO)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCO)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	H(CCCH)	108.3055	0.208	4	108.3055	0.043	4	108.8899	0.267	24	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CC[6a]N)(H)2	C(C[5]C[5]2Cr)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CC[6a]N)(H)2	C(C[5]C[5]2Cr)(CCHH)(CH3)2	H(CCCH)	108.5750	0.011	2	108.5750	0.000	2	108.8899	0.267	24	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CC[6a]N)(H)2	C(C[5]C[5]2Zr)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CC[6a]N)(H)2	C(C[5]C[5]2Zr)(CCHH)(CH3)2	H(CCCH)	108.6335	0.019	2	108.6335	0.000	2	108.8899	0.267	24	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CNO)(H)2	C(C[5]C[5]2Ti)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CNO)(H)2	C(C[5]C[5]2Ti)(CCHH)(CH3)2	H(CCCH)	109.6778	0.094	4	109.6778	0.009	4	108.8899	0.267	24	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CC[6]O)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	H(CCCH)	C(CC[6]CC)(CC[6]O)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	H(CCCH)	107.1390	0.256	2	107.1390	0.066	2	107.1390	0.066	2	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(CCO)(H)2	C(GeClTe2)(CCHH)(CH3)2	H(CCCH)	C(CGeCC)(CCO)(H)2	C(GeClTe2)(CCHH)(CH3)2	H(CCCH)	108.4970	0.011	2	108.4970	0.000	2	108.5238	0.147	12	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(COO)(H)2	C(GeC[6a]3)(CCHH)(CH3)2	H(CCCH)	C(CGeCC)(COO)(H)2	C(GeC[6a]3)(CCHH)(CH3)2	H(CCCH)	108.5257	0.547	6	108.5257	0.299	6	108.5238	0.147	12	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	Ge-4:C-4:C-4:C-4:	C-4:	C(CGeCC)(COO)(H)2	C(GeCl3)(CCHH)(CH3)2	H(CCCH)	C(CGeCC)(COO)(H)2	C(GeCl3)(CCHH)(CH3)2	H(CCCH)	108.5345	0.198	4	108.5345	0.039	4	108.5238	0.147	12	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	Ge[4]-4:C-4:C-4:C-4:	C-4:	C(CGe[4]CC)(CCO)(H)2	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	H(CCCH)	C(CGe[4]CC)(CCO)(H)2	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	H(CCCH)	108.6415	0.012	2	108.6415	0.000	2	108.6415	0.000	2	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NCoCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NCoCH)(CCHH)(CH3)2	H(CCCH)	107.8019	0.146	8	107.8019	0.021	8	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NCuCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NCuCH)(CCHH)(CH3)2	H(CCCH)	107.3380	0.413	21	107.3380	0.170	21	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NCuHH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NCuHH)(CCHH)(CH3)2	H(CCCH)	107.8355	0.028	2	107.8355	0.001	2	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NNiCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NNiCH)(CCHH)(CH3)2	H(CCCH)	107.4063	0.536	43	107.4063	0.287	43	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NNiHH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NNiHH)(CCHH)(CH3)2	H(CCCH)	108.0080	0.413	4	108.0080	0.171	4	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NPdHH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NPdHH)(CCHH)(CH3)2	H(CCCH)	108.2605	0.645	6	108.2605	0.416	6	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NPtHH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NPtHH)(CCHH)(CH3)2	H(CCCH)	108.3750	0.052	2	108.3750	0.003	2	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NRhHH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NRhHH)(CCHH)(CH3)2	H(CCCH)	108.2970	0.017	2	108.2970	0.000	2	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCN)(H)2	C(NZnCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCN)(H)2	C(NZnCH)(CCHH)(CH3)2	H(CCCH)	107.4753	0.175	7	107.4753	0.031	7	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCO)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCO)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	H(CCCH)	108.5743	1.863	4	108.5743	3.472	4	107.5982	0.425	99	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCC)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(CC3)(NCC)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.2458	0.293	8	108.2458	0.086	8	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCC)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHN)	C(CC3)(NCC)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHN)	107.7515	0.572	2	107.7515	0.327	2	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCC)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(CC3)(NCC)(H)2	C(CHHN)3(CH3)	H(CCHN)	109.1955	0.006	2	109.1955	0.000	2	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCC)(H)2	C(CN[4]HH)(CHHN)(CH3)2	H(CCHN)	C(CC3)(NCC)(H)2	C(CN[4]HH)(CHHN)(CH3)2	H(CCHN)	108.1983	1.555	6	108.1983	2.420	6	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCH)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(CC3)(NCH)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.5070	0.058	3	108.5070	0.003	3	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.7229	0.299	20	108.7229	0.090	20	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCH)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(CC3)(NCH)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.2601	0.618	28	108.2601	0.382	28	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCH)(H)2	C(CHHN)4	H(CCHN)	C(CC3)(NCH)(H)2	C(CHHN)4	H(CCHN)	108.8612	0.133	5	108.8612	0.018	5	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCS)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCHN)	C(CC3)(NCS)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCHN)	108.5700	0.011	2	108.5700	0.000	2	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCS)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHN)	C(CC3)(NCS)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHN)	108.6515	0.284	6	108.6515	0.081	6	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NCV)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(CC3)(NCV)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.6335	0.173	4	108.6335	0.030	4	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NHH)(H)2	C(CHHN)(CHHS)2(CH3)	H(CCHN)	C(CC3)(NHH)(H)2	C(CHHN)(CHHS)2(CH3)	H(CCHN)	108.0625	0.077	2	108.0625	0.006	2	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NHN)(H)2	C(CHHN)4	H(CCHN)	C(CC3)(NHN)(H)2	C(CHHN)4	H(CCHN)	108.6580	0.000	1	108.6580	0.000	1	108.4605	0.370	89	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(NCH)(H)2	C(CCHH)(CHHN)2(NH3)	H(CCHN)	C(CCCN)(NCH)(H)2	C(CCHH)(CHHN)2(NH3)	H(CCHN)	108.7037	2.361	4	108.7037	5.572	4	109.6310	4.207	12	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(NCoC)(H)2	C(CHHN)3(NCHH)	H(CCHN)	C(CCCN)(NCoC)(H)2	C(CHHN)3(NCHH)	H(CCHN)	110.0946	1.867	8	110.0946	3.486	8	109.6310	4.207	12	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(NCV)(H)2	C(CHHN)(NHHV)(CH3)2	H(CCHN)	C(CCCN)(NCV)(H)2	C(CHHN)(NHHV)(CH3)2	H(CCHN)	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(NHS)(H)2	C(C[3]C[3]2H)(CHHN)(CH3)2	H(CCHN)	C(CC[3]CC)(NHS)(H)2	C(C[3]C[3]2H)(CHHN)(CH3)2	H(CCHN)	109.0575	0.047	4	109.0575	0.002	4	109.0575	0.002	4	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(NCoC)(H)2	C(NCoHH)(CHHN)(CH3)2	H(CCHN)	C(CCCN)(NCoC)(H)2	C(NCoHH)(CHHN)(CH3)2	H(CCHN)	110.3115	0.040	4	110.3115	0.002	4	110.3115	0.002	4	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	N[5]-4:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(NCC)(H)2	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	H(CCHN)	C(CN[5]CC)(NCC)(H)2	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	H(CCHN)	113.3648	3.158	4	113.3648	9.970	4	113.3648	9.970	4	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(NNiC)(H)2	C(SNiOO)(CHHN)(CH3)2	H(CCHN)	C(CCCS)(NNiC)(H)2	C(SNiOO)(CHHN)(CH3)2	H(CCHN)	109.9040	0.048	2	109.9040	0.002	2	109.9040	0.002	2	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(OVV)(H)2	C(CHHO)4	H(CCHO)	C(CC3)(OVV)(H)2	C(CHHO)4	H(CCHO)	109.2293	0.121	6	109.2293	0.015	6	109.2293	0.015	6	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(OMo2)(H)2	C(CHHO)3(NH3)	H(CCHO)	C(CCCN)(OMo2)(H)2	C(CHHO)3(NH3)	H(CCHO)	108.6027	0.300	3	108.6027	0.090	3	108.6027	0.090	3	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(OFeH)(H)2	C(NFeCH)(CHHO)3	H(CCHO)	C(CCCN)(OFeH)(H)2	C(NFeCH)(CHHO)3	H(CCHO)	110.1365	0.067	2	110.1365	0.005	2	109.7060	0.200	11	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:O-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(OSn2)(H)2	C(NSnCC)(CHHO)(CH3)2	H(CCHO)	C(CCCN)(OSn2)(H)2	C(NSnCC)(CHHO)(CH3)2	H(CCHO)	109.6103	0.439	9	109.6103	0.193	9	109.7060	0.200	11	108.3853	1.095	415	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	4:6:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:S-6:H-1:H-1:	C-4:	C(CHHS)(COO)(H)2	C(CCHH)(SF5)(H)2	H(CCCH)	C(CHHS)(COO)(H)2	C(CCHH)(SF5)(H)2	H(CCCH)	108.4945	0.008	2	108.4945	0.000	2	108.4945	0.000	2	108.4945	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(H)2	C(CPd2CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CNO)(H)2	C(CPd2CC)(CCHH)(H)2	H(CCCH)	106.6990	0.061	2	106.6990	0.004	2	106.6990	0.004	2	109.0494	2.076	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:1:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[4x3,4x5,4x6]-5:C-4:H-1:H-1:	C-4:	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	H(CC[6a]CH)	108.7700	0.125	3	108.7700	0.016	3	108.7700	0.016	3	109.0494	2.076	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:1:1:	4:	C-4:N-3:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(H)2	C(CCeHHN)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCC)(H)2	C(CCeHHN)(CHHN)(H)2	H(CCHN)	108.7425	0.076	6	108.7425	0.006	6	108.7425	0.006	6	109.0494	2.076	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	H(CCHN)	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	H(CCHN)	109.2750	0.000	1	109.2750	0.000	1	109.2750	0.000	1	109.0494	2.076	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	H(CN[5]CH)	110.6745	2.045	4	110.6745	4.180	4	110.6745	4.180	4	109.0494	2.076	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	H(CN[5]CH)	109.3765	0.062	2	109.3765	0.004	2	109.3765	0.004	2	109.0494	2.076	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:4:1:	4:	C-4:N-3:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	H(CCHN)	109.9495	0.021	2	109.9495	0.000	2	109.9495	0.000	2	109.3920	0.415	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:4:4:1:	4:	C-4:P-3:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(H)	H(CCHP)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(H)	H(CCHP)	108.8345	0.035	2	108.8345	0.001	2	108.8345	0.001	2	109.3920	0.415	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	5:5:4:1:	4:	C-4:C-3:H-1:H-1:	P-5:P-5:C-4:H-1:	C-4:	C(CHPP)(CCO)(H)2	C(PC[6a]2OU)2(CCHH)(H)	H(CCCH)	C(CHPP)(CCO)(H)2	C(PC[6a]2OU)2(CCHH)(H)	H(CCCH)	109.1670	0.011	2	109.1670	0.000	2	109.1670	0.000	2	109.1670	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	6:4:1:1:	4:	C-4:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	H(CC[6a]CH)	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	H(CC[6a]CH)	109.0086	0.255	5	109.0086	0.065	5	109.0086	0.065	5	109.3848	0.176	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	6:4:1:1:	4:	C-4:C[6a]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	H(CC[6a]CH)	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	H(CC[6a]CH)	109.1502	0.416	5	109.1502	0.173	5	109.1502	0.173	5	109.3848	0.176	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	6:4:1:1:	4:	C-4:N-3:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	H(CCHN)	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	H(CCHN)	109.3490	0.170	4	109.3490	0.029	4	109.3490	0.029	4	109.3848	0.176	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	6:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	H(CN[5]CH)	109.1365	0.046	2	109.1365	0.002	2	109.1365	0.002	2	109.3848	0.176	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	6:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[5x3,3x5,11x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	H(CN[5]CH)	109.6775	0.023	2	109.6775	0.001	2	109.6775	0.001	2	109.3848	0.176	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	6:4:1:1:	4:	C-4:N[5]-3:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	H(CN[5]CH)	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	H(CN[5]CH)	109.7102	0.388	6	109.7102	0.151	6	109.7102	0.151	6	109.3848	0.176	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:1:1:	6:4:1:1:	4:	C-4:O-3:H-1:H-1:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(OTaC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	H(CCHO)	C(CC[3x3,3x5,12x6]HH)(OTaC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	H(CCHO)	109.9635	0.101	2	109.9635	0.010	2	109.9635	0.010	2	109.3848	0.176	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:2:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CNO)(OC)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	H(CCCO)	C(CC[6a]HS)(CNO)(OC)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHO)(H)	H(CCCO)	108.7973	0.493	10	108.7973	0.243	10	108.7973	0.243	10	108.7973	0.243	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:N-2:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(COO)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[5a]C[6a]H)(COO)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	108.6240	0.000	1	108.6240	0.000	1	108.6240	0.000	1	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	C(CC[6a]2H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	110.1440	0.000	1	110.1440	0.000	1	109.3125	1.383	2	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(COO)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	C(CC[6a]2H)(COO)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	108.4810	0.000	1	108.4810	0.000	1	109.3125	1.383	2	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CNO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	C(CC[6a]2H)(CNO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CNO)(OC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	H(CCCO)	C(CC[6a]HN)(CNO)(OC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	H(CCCO)	109.6790	0.000	1	109.6790	0.000	1	108.8653	1.183	7	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	H(CCCO)	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHO)(H)	H(CCCO)	107.5030	0.000	1	107.5030	0.000	1	108.8653	1.183	7	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	H(CCCO)	C(CC[6a]HN)(CNO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	H(CCCO)	108.8120	1.355	2	108.8120	1.836	2	108.8653	1.183	7	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	H(CCCO)	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	H(CCCO)	108.9580	0.000	1	108.9580	0.000	1	108.8653	1.183	7	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(COO)(OSi)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	H(CCCO)	C(CC[6a]HN)(COO)(OSi)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHO)(H)	H(CCCO)	109.1465	1.604	2	109.1465	2.574	2	108.8653	1.183	7	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	H(CCCO)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	H(CCCO)	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:N[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6a]H)(COO)(OH)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	H(CCCO)	C(CC[6a]N[6a]H)(COO)(OH)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	H(CCCO)	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:	C(CC[6a]HS)(CNO)(OH)(H)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	H(CCCO)	C(CC[6a]HS)(CNO)(OH)(H)	C(C[6a]C[6a]2)(SC[6a]O)(CCHO)(H)	H(CCCO)	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	C(CC[6a]N[5a]H)(CC[6a]O)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	110.4620	0.000	1	110.4620	0.000	1	108.2105	10.139	2	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C-3:O-2:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(COO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	C(CC[6a]N[5a]H)(COO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	105.9590	0.000	1	105.9590	0.000	1	108.2105	10.139	2	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C[6a]-3:N-2:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	H(CC[6a]CN)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	H(CC[6a]CN)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	H(CC[6a]CO)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	H(CC[6a]CO)	107.9590	0.253	3	107.9590	0.064	3	107.9590	0.064	3	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:1:	4:	C-4:C[6a]-3:O-2:H-1:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	H(CC[6a]CO)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	H(CC[6a]CO)	109.4970	0.154	2	109.4970	0.024	2	109.4970	0.024	2	108.7481	1.545	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:3:4:4:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(CCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHH)(CCHO)	H(CCCO)	C(CC[6a]2C)(CCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHH)(CCHO)	H(CCCO)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:C-2:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(CCH)(CN)(H)	C(B[5]O[5]2)(CCCH)(H)2	H(CC3)	C(CB[5]HH)(CCH)(CN)(H)	C(B[5]O[5]2)(CCCH)(H)2	H(CC3)	108.5465	0.013	2	108.5465	0.000	2	108.5465	0.000	2	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5a]O)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[5a]O)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.3865	0.118	4	109.3865	0.014	4	109.3865	0.014	4	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:N-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(NC)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(COO)(NC)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	109.1600	0.000	1	109.1600	0.000	1	109.1600	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(CN[5]O)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	H(CCCN)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	H(CCCN)	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.0274	1.251	7	109.0274	1.564	7	108.6689	1.918	16	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CN[5]O)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.8690	0.000	1	109.8690	0.000	1	108.6689	1.918	16	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.7624	1.324	5	108.7624	1.753	5	108.6689	1.918	16	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.8205	1.712	2	106.8205	2.931	2	108.6689	1.918	16	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.1890	0.000	1	108.1890	0.000	1	108.6689	1.918	16	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OC)(H)	C(CC[5]O)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCC)(OC)(H)	C(CC[5]O)(CCHO)(H)2	H(CCCO)	109.2000	0.000	1	109.2000	0.000	1	109.2253	0.214	4	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OH)(H)	C(CC[6a]C)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OH)(H)	C(CC[6a]C)(CCHO)(H)2	H(CCCO)	108.6510	0.000	1	108.6510	0.000	1	109.2253	0.214	4	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OH)(H)	C(CC[6a]O)(CCHO)(H)2	H(CCCO)	109.5250	0.363	2	109.5250	0.132	2	109.2253	0.214	4	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]2)(CCHO)(H)2	H(CCCO)	110.6780	0.000	1	110.6780	0.000	1	110.0115	0.888	2	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(OH)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(COO)(OH)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	109.3450	0.000	1	109.3450	0.000	1	110.0115	0.888	2	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]O)(OH)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(CC[6a]O)(OH)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	H(CCCO)	108.7590	0.000	1	108.7590	0.000	1	109.1130	0.251	2	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(OS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(COO)(OS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	109.4670	0.000	1	109.4670	0.000	1	109.1130	0.251	2	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(OH)(H)	C(C[6]C[6]2)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCO)(OH)(H)	C(C[6]C[6]2)(CCHO)(H)2	H(CCCO)	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.0085	0.114	2	109.0085	0.013	2	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCN)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCN)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.6145	0.127	2	109.6145	0.016	2	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.8440	0.000	1	108.8440	0.000	1	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(ON)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCO)(ON)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.1470	0.000	1	109.1470	0.000	1	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CNO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.6853	0.753	3	108.6853	0.568	3	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.5690	0.449	3	108.5690	0.202	3	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CN[5]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.3310	0.148	3	108.3310	0.022	3	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	111.4560	0.000	1	111.4560	0.000	1	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.5027	0.652	9	108.5027	0.425	9	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(COO)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	H(CCCO)	109.2780	0.000	1	109.2780	0.000	1	108.8173	0.619	26	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CC[6a]O)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	H(CCCO)	109.7967	0.581	31	109.7967	0.338	31	109.7967	0.338	31	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(CCH)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CHHS)(CCH)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:S-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(SC)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	H(CCCS)	C(CC[6a]HH)(COO)(SC)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	H(CCCS)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:S-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCO)(SC)(H)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	H(CCCS)	C(CN[5a]HH)(CCO)(SC)(H)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	H(CCCS)	110.0500	0.000	1	110.0500	0.000	1	110.1500	0.020	2	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:C-3:S-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CC[6a]O)(SC)(H)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	H(CCCS)	C(CN[5a]HH)(CC[6a]O)(SC)(H)	C(N[5a]C[5a]N[5a])(CCHS)(H)2	H(CCCS)	110.2500	0.000	1	110.2500	0.000	1	110.1500	0.020	2	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:N-3:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCH)(CC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCH)(CC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:N-3:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCH)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(H)2	H(CCNO)	C(CC[6a]HH)(NCH)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(H)2	H(CCNO)	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:1:1:	4:	C-4:N-3:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCH)(OH)(H)	C(NC[5a]H)(CHNO)(H)2	H(CCNO)	C(CHHN)(NCH)(OH)(H)	C(NC[5a]H)(CHNO)(H)2	H(CCNO)	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	109.1902	0.980	98	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	H(CCCN)	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	H(CCCN)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(COO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(COO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	H(CCCO)	107.7885	1.309	2	107.7885	1.713	2	107.7885	1.713	2	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CC[6a]O)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	H(CCCO)	C(CC[5a]HO)(CC[6a]O)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(OH)(H)	H(CCCO)	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]2)(CCHO)(OC)(H)	H(CCCO)	110.1020	0.000	1	110.1020	0.000	1	110.1020	0.000	1	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CCO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	106.2640	1.165	2	106.2640	1.358	2	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	108.8495	0.637	2	108.8495	0.406	2	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CC[6]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	108.8330	0.000	1	108.8330	0.000	1	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	109.0780	0.000	1	109.0780	0.000	1	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	109.4305	0.030	2	109.4305	0.001	2	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CN[5]O)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	110.4440	0.000	1	110.4440	0.000	1	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	108.1880	0.000	1	108.1880	0.000	1	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COS)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(COS)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	109.7500	0.000	1	109.7500	0.000	1	108.6710	1.930	11	108.7444	1.713	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	109.8960	4.477	5	109.8960	20.048	5	109.8960	20.048	5	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	C(CC[6a]CH)(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	108.6790	0.000	1	108.6790	0.000	1	108.3010	0.107	3	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	C(CC[6a]CH)(CNO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	108.1120	0.006	2	108.1120	0.000	2	108.3010	0.107	3	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	H(CCCO)	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	H(CCCO)	111.5320	0.000	1	111.5320	0.000	1	109.2495	0.944	11	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	C(CC[6a]HN)(COO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	109.8270	0.000	1	109.8270	0.000	1	109.2495	0.944	11	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	H(CCCO)	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCH)(H)	H(CCCO)	108.9561	0.649	8	108.9561	0.421	8	109.2495	0.944	11	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	C(CC[6a]HN)(COO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	108.7370	0.000	1	108.7370	0.000	1	109.2495	0.944	11	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:C-3:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	H(CCCO)	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	H(CCCO)	108.9445	0.975	2	108.9445	0.951	2	108.9445	0.951	2	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:3:1:	4:	C-4:N-3:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	H(CCNO)	C(CC[6a]HN)(NC[6a]S)(OC)(H)	C(C[6a]C[6a]2)(CHNO)(NHS)(H)	H(CCNO)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2402	4.561	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(COO)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:N-2:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(COO)(NC)(H)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	H(CCCN)	C(CC[5a]CH)(COO)(NC)(H)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	H(CCCN)	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCC)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	108.7920	0.000	1	108.7920	0.000	1	108.9625	0.058	2	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	109.1330	0.000	1	109.1330	0.000	1	108.9625	0.058	2	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CNO)(OH)(H)	C(C[6]C[6]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CNO)(OH)(H)	C(C[6]C[6]2)(CCHO)(CH3)(H)	H(CCCO)	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	H(CCCO)	C(CC[6a]CH)(CCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	H(CCCO)	109.3230	0.000	1	109.3230	0.000	1	109.2997	0.243	3	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCH)(OSi)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	H(CCCO)	C(CC[6a]CH)(CCH)(OSi)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	H(CCCO)	109.7810	0.000	1	109.7810	0.000	1	109.2997	0.243	3	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNS)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CNS)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	108.7950	0.000	1	108.7950	0.000	1	109.2997	0.243	3	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	H(CCCO)	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	H(CCCO)	109.3480	0.168	2	109.3480	0.028	2	109.2523	0.042	3	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(COO)(OSi)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCCO)	C(CN[5]CH)(COO)(OSi)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCCO)	109.0610	0.000	1	109.0610	0.000	1	109.2523	0.042	3	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:C-3:S-2:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	H(CCCS)	C(CC[6a]HN)(CC[6a]O)(SC[6a])(H)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	H(CCCS)	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:1:	4:	C-4:N-3:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NHS)(CN)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCCN)	C(CC[6a]CH)(NHS)(CN)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCCN)	108.3610	0.445	3	108.3610	0.198	3	108.3610	0.198	3	108.9413	0.272	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:2:	4:	C-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[5]-4:C-4:O-2:	C-4:	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	H(CC[6a]CO)	C(CC[6a]C[5]O)(C[6a]C[6a]2)(OC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	H(CC[6a]CO)	107.1270	1.636	2	107.1270	2.677	2	107.1270	2.677	2	107.1270	2.677	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	3:4:4:3:	4:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(CCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	H(CCCO)	C(CC[6a]CN)(CCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	H(CCCO)	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	109.5730	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(COO)(NC)(H)	C(CCHN)(Br)(H)2	H(CCCN)	C(CBrHH)(COO)(NC)(H)	C(CCHN)(Br)(H)2	H(CCCN)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(CCH)(NN)(H)	C(CCHN)(F)3	H(CCCN)	C(CF3)(CCH)(NN)(H)	C(CCHN)(F)3	H(CCCN)	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCN)(NN)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CCN)(NN)(H)	C(CCHN)(H)3	H(CCCN)	109.0170	0.000	1	109.0170	0.000	1	108.9912	2.245	20	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHH)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CHH)(NC)(H)	C(CCHN)(H)3	H(CCCN)	107.0300	0.000	1	107.0300	0.000	1	108.9912	2.245	20	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	H(CCCN)	109.7075	0.985	6	109.7075	0.971	6	108.9912	2.245	20	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NN)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NN)(H)	C(CCHN)(H)3	H(CCCN)	106.9410	0.000	1	106.9410	0.000	1	108.9912	2.245	20	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NS)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NS)(H)	C(CCHN)(H)3	H(CCCN)	113.0390	0.000	1	113.0390	0.000	1	108.9912	2.245	20	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	H(CCCN)	108.3440	1.082	7	108.3440	1.170	7	108.9912	2.245	20	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(NP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(COO)(NP)(H)	C(CCHN)(H)3	H(CCCN)	109.0480	0.397	3	109.0480	0.158	3	108.9912	2.245	20	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(CNO)(OC)(H)	C(CCHO)(Cl)3	H(CCCO)	C(CCl3)(CNO)(OC)(H)	C(CCHO)(Cl)3	H(CCCO)	109.4690	0.000	1	109.4690	0.000	1	109.1902	0.453	4	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(COO)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	C(CCl3)(COO)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	109.0973	0.792	3	109.0973	0.628	3	109.1902	0.453	4	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CCH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(COO)(OH)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)(COO)(OH)(H)	C(CCHO)(F)3	H(CCCO)	109.1369	0.785	10	109.1369	0.617	10	109.1369	0.617	10	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CFFH)(COO)(OH)(H)	C(CCHO)(F)2(H)	H(CCCO)	C(CFFH)(COO)(OH)(H)	C(CCHO)(F)2(H)	H(CCCO)	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCC)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CCC)(OC)(H)	C(CCHO)(H)3	H(CCCO)	107.4830	3.104	2	107.4830	9.636	2	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CCH)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.6200	1.572	8	109.6200	2.471	8	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CCH)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.5652	0.731	5	108.5652	0.535	5	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCI)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CCI)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.9450	0.000	1	108.9450	0.000	1	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCO)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CCO)(OC)(H)	C(CCHO)(H)3	H(CCCO)	108.9970	1.270	2	108.9970	1.613	2	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCO)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CCO)(OH)(H)	C(CCHO)(H)3	H(CCCO)	107.7120	1.660	4	107.7120	2.756	4	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHH)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CHH)(OH)(H)	C(CCHO)(H)3	H(CCCO)	101.6985	0.934	2	101.6985	0.873	2	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHH)(OP)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CHH)(OP)(H)	C(CCHO)(H)3	H(CCCO)	93.8744	0.000	1	93.8744	0.000	1	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CNO)(OC)(H)	C(CCHO)(H)3	H(CCCO)	110.3092	0.624	13	110.3092	0.390	13	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CNO)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.6741	1.107	9	108.6741	1.227	9	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(OS)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CNO)(OS)(H)	C(CCHO)(H)3	H(CCCO)	110.1395	1.566	2	110.1395	2.453	2	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(CNO)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	108.7800	0.000	1	108.7800	0.000	1	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(COO)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.6585	0.533	22	109.6585	0.284	22	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(COO)(OH)(H)	C(CCHO)(H)3	H(CCCO)	107.9198	2.201	19	107.9198	4.843	19	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(OS)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(COO)(OS)(H)	C(CCHO)(H)3	H(CCCO)	110.5190	0.000	1	110.5190	0.000	1	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(OSn)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)(COO)(OSn)(H)	C(CCHO)(H)3	H(CCCO)	107.6450	0.000	1	107.6450	0.000	1	108.7321	6.039	93	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(SC)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)(CCH)(SC)(H)	C(CCHS)(H)3	H(CCCS)	108.9860	0.000	1	108.9860	0.000	1	108.8040	0.892	3	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCN)(SH)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)(CCN)(SH)(H)	C(CCHS)(H)3	H(CCCS)	107.7820	0.000	1	107.7820	0.000	1	108.8040	0.892	3	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:C-3:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(SC)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)(COO)(SC)(H)	C(CCHS)(H)3	H(CCCS)	109.6440	0.000	1	109.6440	0.000	1	108.8040	0.892	3	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCH)(CC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(NCH)(CC)(H)	C(CCHN)(H)3	H(CCCN)	108.4190	0.000	1	108.4190	0.000	1	111.8235	23.181	2	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCH)(CH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(NCH)(CH)(H)	C(CCHN)(H)3	H(CCCN)	115.2280	0.000	1	115.2280	0.000	1	111.8235	23.181	2	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:N-3:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(NCH)(OH)(H)	C(CHNO)(Cl)3	H(CCNO)	C(CCl3)(NCH)(OH)(H)	C(CHNO)(Cl)3	H(CCNO)	105.2510	0.000	1	105.2510	0.000	1	105.2510	0.000	1	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:1:1:1:	4:	C-4:N-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NCH)(OH)(H)	C(CHNO)(H)3	H(CCNO)	C(CH3)(NCH)(OH)(H)	C(CHNO)(H)3	H(CCNO)	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.8292	4.859	138	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:C-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(CC)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CHHO)(CCH)(CC)(H)	C(CCCH)(OC)(H)2	H(CC3)	106.9405	1.067	2	106.9405	1.139	2	106.9405	1.139	2	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CNO)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CNO)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.3350	0.795	2	108.3350	0.632	2	108.3703	0.320	3	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(NS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(COO)(NS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4410	0.000	1	108.4410	0.000	1	108.3703	0.320	3	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(NC)(H)	C(CCHN)(SS)(H)2	H(CCCN)	C(CHHS)(CNO)(NC)(H)	C(CCHN)(SS)(H)2	H(CCCN)	109.4600	0.000	1	109.4600	0.000	1	108.6787	0.510	3	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(NC)(H)	C(CCHN)(SS)(H)2	H(CCCN)	C(CHHS)(COO)(NC)(H)	C(CCHN)(SS)(H)2	H(CCCN)	108.2880	0.324	2	108.2880	0.105	2	108.6787	0.510	3	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CC)(H)2	H(CCCO)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CC)(H)2	H(CCCO)	109.6720	0.000	1	109.6720	0.000	1	109.6720	0.000	1	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCC)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CHHO)(CCC)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	107.1290	0.000	1	107.1290	0.000	1	108.3678	1.742	5	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CHHO)(CCH)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	110.5440	0.000	1	110.5440	0.000	1	108.3678	1.742	5	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CHHO)(COO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.5360	0.000	1	108.5360	0.000	1	108.3678	1.742	5	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(OH)(H)	C(CCHO)(OP)(H)2	H(CCCO)	C(CHHO)(COO)(OH)(H)	C(CCHO)(OP)(H)2	H(CCCO)	107.8150	0.243	2	107.8150	0.059	2	108.3678	1.742	5	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(OH)(H)	C(CCHO)(SC)(H)2	H(CCCO)	C(CHHS)(COO)(OH)(H)	C(CCHO)(SC)(H)2	H(CCCO)	108.5252	0.605	5	108.5252	0.366	5	108.4638	0.315	6	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(OH)(H)	C(CCHO)(SS)(H)2	H(CCCO)	C(CHHS)(COO)(OH)(H)	C(CCHO)(SS)(H)2	H(CCCO)	108.1570	0.000	1	108.1570	0.000	1	108.4638	0.315	6	108.3661	0.919	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:2:1:	4:	C-4:C-3:C-2:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(CCH)(CC)(H)	C(CCCH)(CC)(OH)(H)	H(CC3)	C(CCHO)(CCH)(CC)(H)	C(CCCH)(CC)(OH)(H)	H(CC3)	106.3780	0.000	1	106.3780	0.000	1	106.3780	0.000	1	107.9650	5.037	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:2:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CN)(OC)(H)	H(CCCO)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CN)(OC)(H)	H(CCCO)	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	107.9650	5.037	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(NC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CNO)(NC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.6490	0.000	1	107.6490	0.000	1	109.1148	0.702	5	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NC)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	C(CCHH)(COO)(NC)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	109.5703	0.119	3	109.5703	0.014	3	109.1148	0.702	5	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NS)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(COO)(NS)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	109.2140	0.000	1	109.2140	0.000	1	109.1148	0.702	5	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(CCFF)(CCH)(OC)(H)	C(CCHO)(CCO)(F)2	H(CCCO)	C(CCFF)(CCH)(OC)(H)	C(CCHO)(CCO)(F)2	H(CCCO)	109.3155	0.125	2	109.3155	0.016	2	108.6678	0.872	5	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(CCFF)(CCH)(OH)(H)	C(CCHO)(CCO)(F)2	H(CCCO)	C(CCFF)(CCH)(OH)(H)	C(CCHO)(CCO)(F)2	H(CCCO)	108.2360	1.019	3	108.2360	1.038	3	108.6678	0.872	5	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)(CCC)(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	109.4280	0.714	5	109.4280	0.509	5	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	108.6250	0.000	1	108.6250	0.000	1	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	107.5170	0.675	3	107.5170	0.456	3	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	108.5325	1.716	2	108.5325	2.945	2	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.7920	0.000	1	108.7920	0.000	1	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	C(CCHH)(CCH)(OC)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	108.5710	0.088	2	108.5710	0.008	2	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	109.3050	0.000	1	109.3050	0.000	1	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.4716	0.545	5	108.4716	0.297	5	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.3806	1.089	5	108.3806	1.187	5	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CCH)(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.9270	0.000	1	108.9270	0.000	1	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	110.2310	0.000	1	110.2310	0.000	1	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CNO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	106.6880	0.000	1	106.6880	0.000	1	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(OH)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	C(CCHH)(CNO)(OH)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	109.6460	1.605	4	109.6460	2.577	4	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(COO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	110.8960	0.000	1	110.8960	0.000	1	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(COO)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.5977	1.482	30	108.5977	2.197	30	108.7006	1.718	63	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:O-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(H)(O)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(H)(O)	H(CCCO)	108.9480	0.524	3	108.9480	0.274	3	108.9480	0.274	3	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:S-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(SC)(H)	C(CCHS)(CCO)(H)2	H(CCCS)	C(CCHH)(COO)(SC)(H)	C(CCHS)(CCO)(H)2	H(CCCS)	107.8433	1.823	3	107.8433	3.324	3	107.8603	2.217	4	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:C-3:S-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(SH)(H)	C(CCHS)(COO)(H)2	H(CCCS)	C(CCHH)(COO)(SH)(H)	C(CCHS)(COO)(H)2	H(CCCS)	107.9110	0.000	1	107.9110	0.000	1	107.8603	2.217	4	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:N-3:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	107.9265	0.312	2	107.9265	0.097	2	108.2570	0.376	3	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:N-3:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NHS)(CC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(NHS)(CC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.9180	0.000	1	108.9180	0.000	1	108.2570	0.376	3	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:N-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCH)(OC)(H)	C(CHNO)(CCC)(H)2	H(CCNO)	C(CCHH)(NCH)(OC)(H)	C(CHNO)(CCC)(H)2	H(CCNO)	108.2910	0.192	2	108.2910	0.037	2	108.2910	0.037	2	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:1:1:	4:	C-4:N-3:O-2:H-1:	C-4:C-3:H-1:I-1:	C-4:	C(CCHI)(NCS)(OC)(H)	C(CHNO)(COO)(H)(I)	H(CCNO)	C(CCHI)(NCS)(OC)(H)	C(CHNO)(COO)(H)(I)	H(CCNO)	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	108.6784	1.488	86	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	109.1677	0.279	4	109.1677	0.078	4	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	108.0900	0.000	1	108.0900	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCO)(OC)(H)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)(CCO)(OC)(H)	H(CCCO)	107.2930	1.883	4	107.2930	3.544	4	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHO)(CCC)(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	107.8045	0.674	2	107.8045	0.454	2	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCC)(OSi)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	C(CCHO)(CCC)(OSi)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	108.2850	0.000	1	108.2850	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	108.9732	1.003	4	108.9732	1.006	4	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	110.0270	0.000	1	110.0270	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OH)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CCC)(OH)(H)	H(CCCO)	108.2040	0.371	2	108.2040	0.137	2	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	109.0252	0.488	4	109.0252	0.238	4	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	107.9170	0.000	1	107.9170	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CCC)(OSi)(H)	H(CCCO)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CCC)(OSi)(H)	H(CCCO)	108.8150	0.000	1	108.8150	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	108.6338	0.615	9	108.6338	0.378	9	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(OC)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	108.8040	1.028	3	108.8040	1.057	3	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	C(CCHO)(CNO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	108.7986	0.807	16	108.7986	0.652	16	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	108.8870	0.000	1	108.8870	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHO)(CNO)(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	108.6350	0.116	2	108.6350	0.013	2	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OC)(H)	H(CCCO)	108.5527	0.105	3	108.5527	0.011	3	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OC)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	110.1920	0.000	1	110.1920	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	108.7034	0.551	43	108.7034	0.304	43	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OC)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	109.2940	0.000	1	109.2940	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	108.3425	0.001	2	108.3425	0.000	2	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	108.5190	0.000	1	108.5190	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	108.5395	1.193	464	108.5395	1.423	464	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OPt)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHO)(COO)(OPt)(H)	H(CCCO)	108.9600	0.000	1	108.9600	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OPt)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OPt)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	108.5790	0.000	1	108.5790	0.000	1	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OPt)(H)	C(CCHO)(COO)(OPt)(H)	H(CCCO)	C(CCHO)(COO)(OPt)(H)	C(CCHO)(COO)(OPt)(H)	H(CCCO)	108.4527	0.332	6	108.4527	0.110	6	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(COO)(OSb)(H)	C(CCHO)(COO)(OSb)(H)	H(CCCO)	C(CCHO)(COO)(OSb)(H)	C(CCHO)(COO)(OSb)(H)	H(CCCO)	108.5147	0.640	6	108.5147	0.410	6	108.5646	1.239	585	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:N-3:C-2:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CCHN)(NCC)(CN)(H)	C(CCHN)(NCC)(CN)(H)	H(CCCN)	C(CCHN)(NCC)(CN)(H)	C(CCHN)(NCC)(CN)(H)	H(CCCN)	107.6360	0.586	3	107.6360	0.343	3	107.6360	0.343	3	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:2:1:	4:	C-4:N-3:O-2:H-1:	C-4:N-3:O-2:H-1:	C-4:	C(CHNO)(NCH)(OH)(H)	C(CHNO)(NCH)(OH)(H)	H(CCNO)	C(CHNO)(NCH)(OH)(H)	C(CHNO)(NCH)(OH)(H)	H(CCNO)	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	108.5611	1.237	589	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(COO)(OH)(H)	C(CCHO)(CCH)(NCC)(H)	H(CCCO)	C(CCHN)(COO)(OH)(H)	C(CCHO)(CCH)(NCC)(H)	H(CCCO)	109.1750	0.000	1	109.1750	0.000	1	109.1750	0.000	1	108.6663	0.293	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHO)(OCoH)(COO)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHO)(OCoH)(COO)(H)	H(CCCO)	108.4120	0.444	2	108.4120	0.197	2	108.4120	0.197	2	108.6663	0.293	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:3:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(CCO)(OC)(H)	C(CCHO)(CCH)(COO)(OH)	H(CCCO)	C(CCCO)(CCO)(OC)(H)	C(CCHO)(CCH)(COO)(OH)	H(CCCO)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:3:4:4:	4:	C-4:C-3:N-2:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(CCCS)(COO)(NRu)(H)	C(CCHN)(SRu2)(CH3)2	H(CCCN)	C(CCCS)(COO)(NRu)(H)	C(CCHN)(SRu2)(CH3)2	H(CCCN)	106.3515	0.773	2	106.3515	0.597	2	106.3515	0.597	2	106.3515	0.597	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:Ge-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(GeN)(H)	C(CGeCH)(CCHH)(H)2	H(CGeCC)	C(CCHH)(CCH)(GeN)(H)	C(CGeCH)(CCHH)(H)2	H(CGeCC)	110.7730	0.000	1	110.7730	0.000	1	110.7730	0.000	1	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NN)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCH)(NN)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	108.2380	0.000	1	108.2380	0.000	1	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(NC)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHH)(NC)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	106.1220	0.000	1	106.1220	0.000	1	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.6280	0.000	1	108.6280	0.000	1	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NC)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(CNO)(NC)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	109.4450	0.000	1	109.4450	0.000	1	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.3670	0.000	1	108.3670	0.000	1	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.1455	0.050	2	109.1455	0.003	2	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NC)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(COO)(NC)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	109.3800	0.000	1	109.3800	0.000	1	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NP)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NP)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.8000	0.000	1	108.8000	0.000	1	108.5857	1.036	9	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCH)(OH)(H)	C(CCHO)2(F)2	H(CCCO)	C(CCFF)(CCH)(OH)(H)	C(CCHO)2(F)2	H(CCCO)	109.0185	0.347	2	109.0185	0.121	2	109.0185	0.121	2	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCC)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.5815	0.493	2	109.5815	0.243	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CCC)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	108.2295	0.549	2	108.2295	0.302	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.2040	0.525	3	108.2040	0.276	3	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	109.2000	0.049	2	109.2000	0.002	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	107.8200	0.000	1	107.8200	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CC[4]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CC[4]HH)(CCHO)(H)2	H(CCCO)	108.2070	0.000	1	108.2070	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	H(CCCO)	108.6620	0.000	1	108.6620	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	110.7750	0.000	1	110.7750	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCC)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	108.2920	0.365	2	108.2920	0.133	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	109.2890	0.525	2	109.2890	0.275	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.5337	0.458	6	109.5337	0.210	6	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OC)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(OC)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	110.2230	0.000	1	110.2230	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.2550	0.791	18	108.2550	0.626	18	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	109.0600	0.000	1	109.0600	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	109.1445	0.692	2	109.1445	0.479	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	H(CCCO)	109.7407	0.531	4	109.7407	0.282	4	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CC[5a]C[6a]H)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CC[5a]C[6a]H)(CCHO)(H)2	H(CCCO)	108.8050	0.000	1	108.8050	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCH)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	H(CCCO)	110.1485	0.503	2	110.1485	0.253	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CCN)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.5780	0.000	1	108.5780	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCN)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	H(CCCO)	109.1510	0.000	1	109.1510	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.7840	1.902	2	108.7840	3.618	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCHH)(CCO)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	110.1250	0.000	1	110.1250	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CCO)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	108.1870	0.000	1	108.1870	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.4963	1.197	7	108.4963	1.433	7	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CCO)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	108.1420	0.000	1	108.1420	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCO)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.5220	0.000	1	109.5220	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHO)(OH)(H)	C(CC[6a]CO)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHO)(OH)(H)	C(CC[6a]CO)(CCHO)(H)2	H(CCCO)	105.8950	0.000	1	105.8950	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CNO)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	109.8790	0.000	1	109.8790	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.6900	0.000	1	109.6900	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OC)(H)	C(CBrCC)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OC)(H)	C(CBrCC)(CCHO)(H)2	H(CCCO)	109.3670	0.000	1	109.3670	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	111.1470	0.000	1	111.1470	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	106.8070	0.000	1	106.8070	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHS)(H)2	H(CCCO)	C(CCHH)(COO)(OH)(H)	C(CCHO)(CHHS)(H)2	H(CCCO)	110.6765	0.892	2	110.6765	0.795	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OH)(H)	C(CN[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OH)(H)	C(CN[5]HH)(CCHO)(H)2	H(CCCO)	107.8020	0.016	2	107.8020	0.000	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OMn)(H)	C(CN[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OMn)(H)	C(CN[5]HH)(CCHO)(H)2	H(CCCO)	108.7605	1.076	2	108.7605	1.157	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OS)(H)	C(CBrCC)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OS)(H)	C(CBrCC)(CCHO)(H)2	H(CCCO)	109.4150	0.000	1	109.4150	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(COO)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.9710	0.000	1	109.9710	0.000	1	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(COO)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	109.6270	1.097	2	109.6270	1.204	2	108.8836	1.139	83	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(COO)(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	C(CHHN)(COO)(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C-4:P-4:F-1:F-1:	C-4:	C(CFFP)(CCH)(OH)(H)	C(CCHO)(PO3)(F)2	H(CCCO)	C(CFFP)(CCH)(OH)(H)	C(CCHO)(PO3)(F)2	H(CCCO)	107.4000	0.000	1	107.4000	0.000	1	107.4000	0.000	1	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	H(CCCO)	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	H(CCCO)	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(CCCO)	109.4953	0.324	3	109.4953	0.105	3	109.0919	0.585	8	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCC)(OC)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	H(CCCO)	109.2775	0.110	2	109.2775	0.012	2	109.0919	0.585	8	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCC)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCC)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	108.0665	0.998	2	108.0665	0.995	2	109.0919	0.585	8	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCH)(OH)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCH)(OH)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	H(CCCO)	109.5610	0.000	1	109.5610	0.000	1	109.0919	0.585	8	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2C)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2C)(CCHO)(H)2	H(CCCO)	108.8270	0.000	1	108.8270	0.000	1	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCC)(OC)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	105.5310	0.000	1	105.5310	0.000	1	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CCCO)	107.8180	0.000	1	107.8180	0.000	1	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCC)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	107.8725	0.378	11	107.8725	0.143	11	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCC)(OO)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCC)(OO)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	109.0655	0.192	2	109.0655	0.037	2	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	109.0040	0.000	1	109.0040	0.000	1	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCO)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCO)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CCCO)	109.9650	0.000	1	109.9650	0.000	1	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]C)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CC[5]C)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	108.0800	0.000	1	108.0800	0.000	1	108.1028	0.856	19	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(CCCO)	109.3620	0.000	1	109.3620	0.000	1	108.9483	0.540	14	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	H(CCCO)	109.3915	0.185	2	109.3915	0.034	2	108.9483	0.540	14	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCC)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	H(CCCO)	108.9220	0.356	4	108.9220	0.127	4	108.9483	0.540	14	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	109.2460	0.000	1	109.2460	0.000	1	108.9483	0.540	14	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	108.4110	1.878	2	108.4110	3.527	2	108.9483	0.540	14	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(CCCO)	108.5200	0.000	1	108.5200	0.000	1	108.9483	0.540	14	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[6]2H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCO)(OC)(H)	C(C[6]C[6]2H)(CCHO)(H)2	H(CCCO)	108.9517	0.911	3	108.9517	0.830	3	108.9483	0.540	14	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(CCN)(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	105.7430	0.000	1	105.7430	0.000	1	106.9910	2.254	4	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:C-3:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(CNO)(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.4070	1.531	3	107.4070	2.343	3	106.9910	2.254	4	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:N-3:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCC)(CN)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCC)(CN)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	106.3280	0.238	2	106.3280	0.056	2	107.5160	2.102	4	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:N-3:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.7040	0.778	2	108.7040	0.605	2	107.5160	2.102	4	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:N-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCO)(OH)(H)	C(CC[6a]HH)(CHNO)(H)2	H(CCNO)	C(CCHH)(NCO)(OH)(H)	C(CC[6a]HH)(CHNO)(H)2	H(CCNO)	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:1:1:	4:	C-4:O-3:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONiC)(OC)(H)	C(NNiCC)(CHOO)(H)2	H(CCOO)	C(CHHN)(ONiC)(OC)(H)	C(NNiCC)(CHOO)(H)2	H(CCOO)	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	108.6807	1.209	150	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(NN)(H)	C(CCHN)(CHHN)(OS)(H)	H(CCCN)	C(CCHO)(CCH)(NN)(H)	C(CCHN)(CHHN)(OS)(H)	H(CCCN)	107.2590	0.000	1	107.2590	0.000	1	107.2590	0.000	1	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CNO)(NN)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(CCCN)	C(CC[5]HO)(CNO)(NN)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(CCCN)	107.4080	0.668	2	107.4080	0.446	2	107.4080	0.446	2	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.2746	0.181	5	108.2746	0.033	5	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.7990	0.000	1	108.7990	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCC)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CCC)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	109.1710	0.000	1	109.1710	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	109.2283	0.673	4	109.2283	0.453	4	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	108.9377	0.593	3	108.9377	0.352	3	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	109.6830	0.000	1	109.6830	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	106.8810	3.166	2	106.8810	10.026	2	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	109.4770	0.000	1	109.4770	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	109.2020	0.000	1	109.2020	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCO)	106.1630	0.000	1	106.1630	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	108.6030	0.000	1	108.6030	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	108.7598	0.470	5	108.7598	0.221	5	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	107.4410	0.000	1	107.4410	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	107.9340	0.000	1	107.9340	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.6736	0.697	5	108.6736	0.486	5	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCN)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CCN)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.5670	0.000	1	108.5670	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	C(CCHO)(CCO)(OC)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	108.8080	0.000	1	108.8080	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CCO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	108.3460	0.141	2	108.3460	0.020	2	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	109.2440	0.024	2	109.2440	0.001	2	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CCO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	107.9645	0.062	2	107.9645	0.004	2	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CCO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	H(CCCO)	105.1950	0.000	1	105.1950	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	108.2330	0.134	2	108.2330	0.018	2	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OSi)(H)	H(CCCO)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(CH3)(OSi)(H)	H(CCCO)	108.3895	0.428	2	108.3895	0.183	2	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHN)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CHN)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	110.3320	0.000	1	110.3320	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CNO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.7311	1.034	8	108.7311	1.069	8	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(OC)(H)	C(CCCO)(CCHO)(OSi)(H)	H(CCCO)	C(CCHO)(COO)(OC)(H)	C(CCCO)(CCHO)(OSi)(H)	H(CCCO)	109.3220	0.000	1	109.3220	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(COO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	107.5870	0.000	1	107.5870	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	106.5040	0.000	1	106.5040	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	109.7740	0.000	1	109.7740	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(COO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.4008	0.602	4	108.4008	0.362	4	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(OS)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OS)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	109.4290	0.000	1	109.4290	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(OS)(H)	C(CClCH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(COO)(OS)(H)	C(CClCH)(CCHO)(OH)(H)	H(CCCO)	111.0400	0.000	1	111.0400	0.000	1	108.5672	1.152	65	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:1:	4:	C-4:C-3:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(CCCO)	109.8360	0.202	2	109.8360	0.041	2	109.8360	0.041	2	108.5516	1.185	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:2:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(CNO)(OH)(H)	C(CCHO)(CH3)(OC)2	H(CCCO)	C(CCOO)(CNO)(OH)(H)	C(CCHO)(CH3)(OC)2	H(CCCO)	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(NC)(H)	C(CCHN)(CH3)(CCO)(H)	H(CCCN)	C(CCCH)(CCH)(NC)(H)	C(CCHN)(CH3)(CCO)(H)	H(CCCN)	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CCC)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	109.1865	0.614	2	109.1865	0.378	2	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(OH)(H)	C(CCHH)(CCHO)(CSeN)(H)	H(CCCO)	C(CCCH)(CCC)(OH)(H)	C(CCHH)(CCHO)(CSeN)(H)	H(CCCO)	107.3890	0.000	1	107.3890	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCC)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	109.5440	0.000	1	109.5440	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCC)(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CCC)(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	107.3900	0.000	1	107.3900	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	108.1560	1.160	2	108.1560	1.345	2	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	111.0000	0.000	1	111.0000	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(OH)(H)	C(CCHN)(CCHO)(COO)(H)	H(CCCO)	C(CCCH)(CCH)(OH)(H)	C(CCHN)(CCHO)(COO)(H)	H(CCCO)	107.6340	0.202	2	107.6340	0.041	2	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	108.6990	0.000	1	108.6990	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CNO)(OH)(H)	C(CCHH)(CCHO)(CCH)(H)	H(CCCO)	C(CCCH)(CNO)(OH)(H)	C(CCHH)(CCHO)(CCH)(H)	H(CCCO)	108.0205	0.071	2	108.0205	0.005	2	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	107.6950	1.832	3	107.6950	3.355	3	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	108.5740	0.423	2	108.5740	0.179	2	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CNO)(OS)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CNO)(OS)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	110.1710	0.000	1	110.1710	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(OC)(H)	C(CCCH)(CCHO)(CCH)(H)	H(CCCO)	C(CCCH)(COO)(OC)(H)	C(CCCH)(CCHO)(CCH)(H)	H(CCCO)	109.6185	0.812	2	109.6185	0.660	2	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	H(CCCO)	C(CCCH)(COO)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	H(CCCO)	107.6100	0.000	1	107.6100	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(OH)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	H(CCCO)	C(CCCH)(COO)(OH)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	H(CCCO)	107.6460	0.000	1	107.6460	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(OH)(H)	C(CC[6a]HH)(CCHO)(CCH)(H)	H(CCCO)	C(CCCH)(COO)(OH)(H)	C(CC[6a]HH)(CCHO)(CCH)(H)	H(CCCO)	107.1070	0.000	1	107.1070	0.000	1	108.4175	1.428	24	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCH)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	H(CCCO)	C(CCHN)(CCH)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	H(CCCO)	108.5140	0.000	1	108.5140	0.000	1	108.5249	0.560	10	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCH)(OH)(H)	C(CCHO)(CHHO)(NHS)(H)	H(CCCO)	C(CCHN)(CCH)(OH)(H)	C(CCHO)(CHHO)(NHS)(H)	H(CCCO)	109.3980	0.000	1	109.3980	0.000	1	108.5249	0.560	10	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	H(CCCO)	C(CCHN)(COO)(OC)(H)	C(CCHO)(CF3)(NHS)(H)	H(CCCO)	109.6930	0.000	1	109.6930	0.000	1	108.5249	0.560	10	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(OC)(H)	C(CClCC)(CCHO)(NHS)(H)	H(CCCO)	C(CCHN)(COO)(OC)(H)	C(CClCC)(CCHO)(NHS)(H)	H(CCCO)	107.8405	0.349	2	107.8405	0.122	2	108.5249	0.560	10	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(OH)(H)	C(CCHO)(CF3)(NHS)(H)	H(CCCO)	C(CCHN)(COO)(OH)(H)	C(CCHO)(CF3)(NHS)(H)	H(CCCO)	108.1910	0.953	2	108.1910	0.909	2	108.5249	0.560	10	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(OH)(H)	C(CCHO)(CH3)(NHS)(H)	H(CCCO)	C(CCHN)(COO)(OH)(H)	C(CCHO)(CH3)(NHS)(H)	H(CCCO)	109.1970	0.000	1	109.1970	0.000	1	108.5249	0.560	10	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(COO)(OH)(H)	C(CClCC)(CCHO)(NHS)(H)	H(CCCO)	C(CCHN)(COO)(OH)(H)	C(CClCC)(CCHO)(NHS)(H)	H(CCCO)	108.1920	0.225	2	108.1920	0.051	2	108.5249	0.560	10	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	H(CCCO)	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	H(CCCO)	107.2715	0.138	2	107.2715	0.019	2	107.3530	0.129	5	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	H(CCCO)	C(CC[5]HN)(COO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	H(CCCO)	107.4073	0.487	3	107.4073	0.237	3	107.3530	0.129	5	108.2918	1.132	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(OC)(H)	C(CCCO)(CCHO)(COO)(OSi)	H(CCCO)	C(CCCO)(COO)(OC)(H)	C(CCCO)(CCHO)(COO)(OSi)	H(CCCO)	108.7860	0.000	1	108.7860	0.000	1	108.0140	1.192	2	108.0140	1.192	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:3:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(OH)(H)	C(CCCO)(CCHO)(COO)(OSi)	H(CCCO)	C(CCCO)(COO)(OH)(H)	C(CCCO)(CCHO)(COO)(OSi)	H(CCCO)	107.2420	0.000	1	107.2420	0.000	1	108.0140	1.192	2	108.0140	1.192	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.1727	1.513	3	108.1727	2.289	3	108.7580	3.089	9	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CNO)(NS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	111.2615	0.681	2	111.2615	0.464	2	108.7580	3.089	9	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NC)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(COO)(NC)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.1830	0.000	1	108.1830	0.000	1	108.7580	3.089	9	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(COO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.8660	1.301	3	107.8660	1.694	3	108.7580	3.089	9	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:N-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)(NC)(H)	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	H(CCCN)	C(CC[5]CH)(COO)(NC)(H)	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	H(CCCN)	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCC)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	108.5363	0.731	3	108.5363	0.535	3	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	108.6710	0.000	1	108.6710	0.000	1	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCC)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CCC)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	105.3110	0.000	1	105.3110	0.000	1	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CCHO)2(H)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CCHO)2(H)	H(CCCO)	109.3210	1.257	2	109.3210	1.581	2	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	109.3805	0.439	2	109.3805	0.193	2	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	107.8880	0.813	12	107.8880	0.661	12	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	108.1628	0.465	4	108.1628	0.216	4	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.6595	0.402	2	108.6595	0.162	2	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CCH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	110.4994	5.354	5	110.4994	28.666	5	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(OSi)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CCH)(OSi)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.8405	0.136	2	108.8405	0.019	2	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCI)(OH)(H)	C(CC[6a]HH)(CCHO)(CHHO)(H)	H(CCCO)	C(CCCH)(CCI)(OH)(H)	C(CC[6a]HH)(CCHO)(CHHO)(H)	H(CCCO)	107.7470	0.000	1	107.7470	0.000	1	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCN)(OSi)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCN)(OSi)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	107.7920	0.000	1	107.7920	0.000	1	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCO)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	107.7250	0.000	1	107.7250	0.000	1	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CNO)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	109.0200	0.758	5	109.0200	0.575	5	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CNO)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	107.1070	0.000	1	107.1070	0.000	1	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(ON)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CNO)(ON)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.8450	0.000	1	108.8450	0.000	1	108.5480	3.981	44	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CCC)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[3]CH)(CCC)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(CCCO)	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:C-3:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCO)(OC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]CH)(CCO)(OC)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCCO)	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:1:	4:	C-4:N-3:C-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCN)(CN)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NCN)(CN)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.0250	0.000	1	107.0250	0.000	1	107.0250	0.000	1	108.5868	3.579	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:2:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(COO)(NC)(H)	C(CCHN)(CH3)2(OH)	H(CCCN)	C(CCCO)(COO)(NC)(H)	C(CCHN)(CH3)2(OH)	H(CCCN)	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.1806	0.636	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC3)(CCH)(OH)(H)	C(CCHO)(CH3)2(CC)	H(CCCO)	C(CC3)(CCH)(OH)(H)	C(CCHO)(CH3)2(CC)	H(CCCO)	108.2400	0.206	2	108.2400	0.043	2	108.2400	0.043	2	108.1806	0.636	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	C(CCCO)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	109.6270	0.000	1	109.6270	0.000	1	108.1582	1.254	4	108.1806	0.636	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCH)(OH)(H)	C(CCHO)2(CH3)(OSi)	H(CCCO)	C(CCCO)(CCH)(OH)(H)	C(CCHO)2(CH3)(OSi)	H(CCCO)	107.3330	0.000	1	107.3330	0.000	1	108.1582	1.254	4	108.1806	0.636	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCO)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	C(CCCO)(CCO)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	108.4350	0.000	1	108.4350	0.000	1	108.1582	1.254	4	108.1806	0.636	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:2:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(COO)(OH)(H)	C(CCHO)(CHHO)(CF3)(OH)	H(CCCO)	C(CCCO)(COO)(OH)(H)	C(CCHO)(CHHO)(CF3)(OH)	H(CCCO)	107.2380	0.000	1	107.2380	0.000	1	108.1582	1.254	4	108.1806	0.636	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:3:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCH)(OC)(H)	C(CCCH)(CCHO)(CH3)(NHS)	H(CCCO)	C(CCCN)(CCH)(OC)(H)	C(CCCH)(CCHO)(CH3)(NHS)	H(CCCO)	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CNO)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CNO)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	107.8560	0.000	1	107.8560	0.000	1	107.6355	0.097	2	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)(NC)(H)	C(CCHH)(CCHN)(CF3)(CH3)	H(CCCN)	C(CC3)(COO)(NC)(H)	C(CCHH)(CCHN)(CF3)(CH3)	H(CCCN)	107.4150	0.000	1	107.4150	0.000	1	107.6355	0.097	2	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	C(CC3)(CCH)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	107.4780	0.000	1	107.4780	0.000	1	107.4347	1.444	7	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CC3)(CCH)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	105.5830	0.000	1	105.5830	0.000	1	107.4347	1.444	7	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	C(CC3)(CCO)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	108.5435	1.648	2	108.5435	2.717	2	107.4347	1.444	7	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CC3)(CCO)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	107.2930	0.000	1	107.2930	0.000	1	107.4347	1.444	7	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CC3)(COO)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	107.3010	0.054	2	107.3010	0.003	2	107.4347	1.444	7	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:2:1:	4:4:4:4:	4:	C-4:N-3:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NHS)(CN)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(NHS)(CN)(H)	C(CCHN)(CH3)3	H(CCCN)	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.4435	0.993	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	2:4:4:2:	4:	C-4:C-3:N-3:H-1:	O-2:C-4:C-4:C-2:	C-4:	C(CCCO)(CNO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	H(CCCN)	C(CCCO)(CNO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	H(CCCN)	108.5340	0.000	1	108.5340	0.000	1	108.7325	0.079	2	108.7325	0.079	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	2:4:4:2:	4:	C-4:C-3:N-3:H-1:	O-2:C-4:C-4:C-2:	C-4:	C(CCCO)(COO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	H(CCCN)	C(CCCO)(COO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	H(CCCN)	108.9310	0.000	1	108.9310	0.000	1	108.7325	0.079	2	108.7325	0.079	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:2:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	108.8980	0.000	1	108.8980	0.000	1	108.9350	0.003	2	108.6080	0.096	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:2:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CNO)(COO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	C(CC[6a]HS)(CNO)(COO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	108.9720	0.000	1	108.9720	0.000	1	108.9350	0.003	2	108.6080	0.096	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:2:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	H(CCCN)	C(CC[6a]HO)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(OC[6a])(CCHN)(H)	H(CCCN)	108.3560	0.140	2	108.3560	0.020	2	108.3560	0.020	2	108.6080	0.096	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:2:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(COS)(NCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	H(CCCN)	C(CC[6a]HS)(COS)(NCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	H(CCCN)	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	108.6080	0.096	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:3:4:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(CCO)2(H)	C(C[6a]C[6a]2)3(CCCH)	H(CC3)	C(CC[6a]3)(CCO)2(H)	C(C[6a]C[6a]2)3(CCCH)	H(CC3)	105.4470	0.000	1	105.4470	0.000	1	105.4470	0.000	1	105.4470	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:B[5]-3:B[5]-3:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	H(CB[5]2C)	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	H(CB[5]2C)	109.1160	0.000	1	109.1160	0.000	1	109.1160	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[5]2H)(COO)2(H)	C(C[5]N[5]2)2(CCCH)(H)	H(CC3)	C(CC[5]2H)(COO)2(H)	C(C[5]N[5]2)2(CCCH)(H)	H(CC3)	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(COO)2(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[6a]C[5]H)(COO)2(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	110.5320	0.000	1	110.5320	0.000	1	110.5320	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-3:C-4:H-1:	C-4:	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	H(CC3)	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a]2)(CC[6a]O)(CCCH)(H)	H(CC3)	109.1670	0.000	1	109.1670	0.000	1	108.7205	0.399	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-3:C-4:H-1:	C-4:	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	H(CC3)	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a]N[5a])(CC[6a]O)(CCCH)(H)	H(CC3)	108.2740	0.000	1	108.2740	0.000	1	108.7205	0.399	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(COO)2(H)	C(C[5a]N[5a]2)2(CCCH)(H)	H(CC3)	C(CC[5a]2H)(COO)2(H)	C(C[5a]N[5a]2)2(CCCH)(H)	H(CC3)	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCO)2(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[5a]C[6a]H)(CCO)2(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	109.2430	0.000	1	109.2430	0.000	1	108.4777	1.154	7	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	108.4390	0.000	1	108.4390	0.000	1	108.4777	1.154	7	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	109.2190	1.344	2	109.2190	1.805	2	108.4777	1.154	7	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	H(CC3)	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]N[6a])(CCCH)(H)	H(CC3)	107.3950	1.044	2	107.3950	1.089	2	108.4777	1.154	7	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[5a]C[6a]H)(COO)2(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	108.4340	0.000	1	108.4340	0.000	1	108.4777	1.154	7	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	H(CC3)	C(CC[6a]C[5]H)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCCH)(H)	H(CC3)	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CCO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	109.9910	0.000	1	109.9910	0.000	1	109.7892	0.041	4	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	109.8230	0.092	2	109.8230	0.008	2	109.7892	0.041	4	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	109.5200	0.000	1	109.5200	0.000	1	109.7892	0.041	4	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(COO)2(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	C(CC[6a]HN)(COO)2(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	108.9205	1.907	2	108.9205	3.637	2	108.9205	3.637	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(COO)2(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	H(CC3)	C(CC[6a]N[6]H)(COO)2(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	H(CC3)	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	N[5]-3:C-3:C-4:H-1:	C-4:	C(CN[5]CH)(CCH)2(H)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	H(CC3)	C(CN[5]CH)(CCH)2(H)	C(N[5]C[5]2)(CN[5]O)(CCCH)(H)	H(CC3)	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(CCC)(COO)(H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[6a]N[5]H)(CCC)(COO)(H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	106.7573	1.416	3	106.7573	2.005	3	106.7573	2.005	3	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:C-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(COO)2(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[6a]N[5a]H)(COO)2(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	109.5797	0.217	3	109.5797	0.047	3	109.5797	0.047	3	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:N-3:H-1:	C-3:C-3:C-4:H-1:	C-4:	C(CCCH)(COO)(NCH)(H)	C(CC[6a]O)2(CCHN)(H)	H(CCCN)	C(CCCH)(COO)(NCH)(H)	C(CC[6a]O)2(CCHN)(H)	H(CCCN)	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(COO)(NHN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[5a]C[6a]H)(COO)(NHN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	109.6385	1.091	2	109.6385	1.190	2	109.6385	1.190	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CNO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	C(CC[6a]2H)(CNO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	108.9050	0.000	1	108.9050	0.000	1	109.0353	0.610	4	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(COO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	C(CC[6a]2H)(COO)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	108.5510	0.369	2	108.5510	0.136	2	109.0353	0.610	4	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(COO)(NHH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	C(CC[6a]2H)(COO)(NHH)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	110.1340	0.000	1	110.1340	0.000	1	109.0353	0.610	4	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-3:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(C[6a]C[6a]2)(COO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[6a]C[5]H)(C[6a]C[6a]2)(COO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	108.0597	0.232	3	108.0597	0.054	3	108.0597	0.054	3	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	106.9050	0.000	1	106.9050	0.000	1	108.0200	2.486	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	109.1350	0.000	1	109.1350	0.000	1	108.0200	2.486	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(C[6a]C[6a]2)(CCH)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[6a]N[5a]H)(C[6a]C[6a]2)(CCH)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	108.3855	0.161	2	108.3855	0.026	2	108.3855	0.026	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	107.6440	0.000	1	107.6440	0.000	1	107.0465	0.714	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)2(H)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2H)(H)	H(CC[6a]2C)	106.4490	0.000	1	106.4490	0.000	1	107.0465	0.714	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	H(CC[6a]2C)	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	H(CC[6a]2C)	106.9915	0.204	2	106.9915	0.042	2	106.9915	0.042	2	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:N-3:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	H(CC[6a]CN)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	H(CC[6a]CN)	107.4853	1.932	6	107.4853	3.733	6	107.4853	3.733	6	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:C[6a]-3:O-3:H-1:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	H(CC[6a]CO)	C(CN[5a]N[5]H)(C[6a]C[6a]2)(OZn2)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CC[6a]HO)(H)	H(CC[6a]CO)	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:N-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(NNiC)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[5a]C[6a]H)(NNiC)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:N[5]-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	H(CN[5]CC)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[5]CH)(H)	H(CN[5]CC)	107.3960	0.000	1	107.3960	0.000	1	107.3960	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:1:	4:	C-4:N[5]-3:N[5]-3:H-1:	C[6,6]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	H(CN[5]2C)	C(CC[6,6]C[5]H)(N[5]C[5]N[5])2(H)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	H(CN[5]2C)	105.3260	0.000	1	105.3260	0.000	1	105.3260	0.000	1	108.3392	1.922	56	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:3:4:4:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(COO)2(H)	C(C[6a]C[6a]2)2(CCCH)(CF3)	H(CC3)	C(CC[6a]2C)(COO)2(H)	C(C[6a]C[6a]2)2(CCCH)(CF3)	H(CC3)	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CCC)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCC)(CCH)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCC)(CCH)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	106.3850	0.000	1	106.3850	0.000	1	108.7522	1.184	11	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCO)(CNO)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCO)(CNO)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	109.4810	0.000	1	109.4810	0.000	1	108.7522	1.184	11	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]O)(CCC)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CC[6a]O)(CCC)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	106.9350	0.000	1	106.9350	0.000	1	108.7522	1.184	11	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CNO)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CNO)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	109.1150	0.331	5	109.1150	0.109	5	108.7522	1.184	11	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CN[5]O)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CN[5]O)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	109.0415	0.117	2	109.0415	0.014	2	108.7522	1.184	11	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)2(H)	C(C[5a]C[5a]2)(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(COO)2(H)	C(C[5a]C[5a]2)(CCCH)(H)2	H(CC3)	109.8150	0.000	1	109.8150	0.000	1	108.7522	1.184	11	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.0940	0.000	1	109.0940	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.4980	0.000	1	108.4980	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	106.7950	0.000	1	106.7950	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.7910	0.000	1	108.7910	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.7770	0.000	1	108.7770	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCO)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	108.3205	1.128	2	108.3205	1.272	2	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.2500	0.000	1	109.2500	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.3470	0.076	2	109.3470	0.006	2	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CNO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.0580	0.000	1	108.0580	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CNO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	106.7020	0.000	1	106.7020	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CN[5]O)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	112.3140	0.000	1	112.3140	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CN[5]O)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.2850	0.000	1	109.2850	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.9416	1.189	7	107.9416	1.414	7	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(COO)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	108.1500	0.000	1	108.1500	0.000	1	108.4836	1.721	22	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:C-3:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCC)(COO)(H)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	H(CC3)	C(CN[6a]HH)(CCC)(COO)(H)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	H(CC3)	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CC[5,6]H)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CC[5,6]H)(CCHN)(H)2	H(CCCN)	110.0110	0.000	1	110.0110	0.000	1	108.0517	3.170	3	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CN[5]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CN[5]O)(CCHN)(H)2	H(CCCN)	107.6110	0.000	1	107.6110	0.000	1	108.0517	3.170	3	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	106.5330	0.000	1	106.5330	0.000	1	108.0517	3.170	3	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	108.7878	0.883	4	108.7878	0.779	4	108.9617	0.627	6	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(NHH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(COO)(NHH)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	108.8450	0.000	1	108.8450	0.000	1	108.9617	0.627	6	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(NHS)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(COO)(NHS)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	109.7740	0.000	1	109.7740	0.000	1	108.9617	0.627	6	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	108.4605	1.556	4	108.4605	2.421	4	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CNO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	109.0586	1.054	5	109.0586	1.111	5	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CNO)(NHH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CNO)(NHH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	105.0660	0.000	1	105.0660	0.000	1	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CN[5]O)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CN[5]O)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	109.1470	0.102	2	109.1470	0.010	2	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(NCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(COO)(NCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	106.1455	3.089	2	106.1455	9.544	2	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	108.3545	0.937	40	108.3545	0.877	40	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(COO)(NCH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	111.2617	3.551	3	111.2617	12.606	3	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(NHH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(COO)(NHH)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	109.1870	0.000	1	109.1870	0.000	1	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	108.6800	0.000	1	108.6800	0.000	1	108.4850	2.245	59	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(Br)(H)	H(CCCN)	C(CC[6a]BrH)(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(Br)(H)	H(CCCN)	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(COO)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	H(CCCN)	C(CC[6a]ClH)(COO)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	H(CCCN)	107.8895	0.073	2	107.8895	0.005	2	107.8895	0.005	2	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	H(CCCN)	C(CC[6a]FH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	H(CCCN)	107.8802	0.980	5	107.8802	0.960	5	107.8802	0.960	5	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.8665	0.525	8	107.8665	0.276	8	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.2400	0.000	1	106.2400	0.000	1	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.6920	0.000	1	108.6920	0.000	1	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.8241	1.116	14	106.8241	1.246	14	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	H(CCCN)	107.5720	0.000	1	107.5720	0.000	1	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.3416	1.506	160	108.3416	2.267	160	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CNO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.2180	0.139	2	106.2180	0.019	2	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CNO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.7654	0.754	18	108.7654	0.569	18	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CNO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.0330	1.291	3	109.0330	1.666	3	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CN[5,6]O)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.9750	0.000	1	107.9750	0.000	1	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CN[5]O)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.6245	2.125	2	106.6245	4.515	2	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CN[5]O)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.7304	0.718	18	109.7304	0.515	18	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.0076	1.273	8	108.0076	1.621	8	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(H)2	H(CCCN)	108.5090	0.000	1	108.5090	0.000	1	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.3001	1.066	189	108.3001	1.136	189	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NCH)(H)	C(C[6a]C[6a]N[6a])(CCHN)(H)2	H(CCCN)	105.9720	0.000	1	105.9720	0.000	1	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NCO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NCO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.6060	0.270	2	109.6060	0.073	2	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.3723	0.284	3	107.3723	0.081	3	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.6817	0.265	3	108.6817	0.070	3	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.4198	2.099	6	109.4198	4.407	6	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COS)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(COS)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.6290	0.000	1	106.6290	0.000	1	108.3230	1.739	443	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:C-3:N-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(COO)(NCH)(H)	C(N[5]C[5]2)(CCHN)(H)2	H(CCCN)	C(CN[5]HH)(COO)(NCH)(H)	C(N[5]C[5]2)(CCHN)(H)2	H(CCCN)	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCuC)(CNO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NCuC)(CNO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	107.4250	0.000	1	107.4250	0.000	1	106.0073	18.480	5	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCuC)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NCuC)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	108.6250	0.221	2	108.6250	0.049	2	106.0073	18.480	5	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NFeC)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NFeC)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	98.4366	0.000	1	98.4366	0.000	1	106.0073	18.480	5	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NNiC)(CNO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NNiC)(CNO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	106.9250	0.000	1	106.9250	0.000	1	106.0073	18.480	5	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC[5]S)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NC[5]S)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	105.0360	0.000	1	105.0360	0.000	1	107.6718	4.476	4	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCuC)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NCuC)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	106.9740	0.000	1	106.9740	0.000	1	107.6718	4.476	4	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NNiC)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NNiC)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	109.3385	0.661	2	109.3385	0.437	2	107.6718	4.476	4	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.2394	0.434	5	109.2394	0.188	5	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.5490	0.000	1	108.5490	0.000	1	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCuC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.4620	0.000	1	108.4620	0.000	1	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCuC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.8606	1.254	8	107.8606	1.572	8	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NNiC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.8973	0.374	7	109.8973	0.140	7	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NNiC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.2196	0.310	8	109.2196	0.096	8	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NPdC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.4990	0.000	2	109.4990	0.000	2	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NSnC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NSnC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.6930	1.041	2	109.6930	1.083	2	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NSnC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NSnC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.6810	0.000	1	108.6810	0.000	1	109.0342	0.972	35	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:O-3:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(OCoH)(COO)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(OCoH)(COO)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	109.0640	0.000	1	109.0640	0.000	1	107.4800	5.018	2	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:1:1:	4:	C-4:O-3:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(ONiH)(COO)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(ONiH)(COO)(H)	C(C[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	105.8960	0.000	1	105.8960	0.000	1	107.4800	5.018	2	108.3622	1.909	601	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CCO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	H(CC3)	C(CC[6a]HN)(CCO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	H(CC3)	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.1675	0.433	2	108.1675	0.188	2	108.5177	0.462	3	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	C(CC[6a]HO)(CCO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	109.2180	0.000	1	109.2180	0.000	1	108.5177	0.462	3	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(COO)(NCH)(H)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	H(CCCN)	C(CC[5a]HO)(COO)(NCH)(H)	C(C[5a]C[5a]S[5a])(CCHN)(OH)(H)	H(CCCN)	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	H(CCCN)	C(CC[6a]HN)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	H(CCCN)	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.4080	0.000	1	108.4080	0.000	1	108.1521	1.390	10	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CCH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	105.5830	0.000	1	105.5830	0.000	1	108.1521	1.390	10	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	H(CCCN)	C(CC[6a]HO)(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	H(CCCN)	108.9705	0.196	2	108.9705	0.038	2	108.1521	1.390	10	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.0200	0.000	1	107.0200	0.000	1	108.1521	1.390	10	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.7970	0.555	4	108.7970	0.308	4	108.1521	1.390	10	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:2:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.3810	0.000	1	107.3810	0.000	1	108.1521	1.390	10	108.3644	1.323	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CCH)(COO)(H)	C(CC[6a]O)(CCCH)(NHS)(H)	H(CC3)	C(CCHN)(CCH)(COO)(H)	C(CC[6a]O)(CCCH)(NHS)(H)	H(CC3)	108.1030	0.000	1	108.1030	0.000	1	108.1030	0.000	1	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[5]-3:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	H(CC3)	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	H(CC3)	108.8230	0.000	1	108.8230	0.000	1	109.2040	0.919	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	108.4530	0.000	1	108.4530	0.000	1	109.2040	0.919	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	110.2315	0.045	2	110.2315	0.002	2	109.2040	0.919	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	108.2810	0.000	1	108.2810	0.000	1	109.2040	0.919	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.6550	0.000	1	108.6550	0.000	1	108.8646	0.205	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	109.2650	0.000	1	109.2650	0.000	1	108.8646	0.205	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CN[5]O)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	108.4835	0.028	2	108.4835	0.001	2	108.8646	0.205	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	109.4360	0.000	1	109.4360	0.000	1	108.8646	0.205	5	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	C(CC[6a]CH)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	107.2780	0.373	3	107.2780	0.139	3	107.9024	0.620	7	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	C(CC[6a]CH)(CNO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	109.3890	0.000	1	109.3890	0.000	1	107.9024	0.620	7	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	H(CCCN)	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	H(CCCN)	108.0990	0.000	1	108.0990	0.000	1	107.9024	0.620	7	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	C(CC[6a]CH)(COO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	107.9975	0.086	2	107.9975	0.007	2	107.9024	0.620	7	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	C(CC[6a]HN)(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	108.2430	0.000	1	108.2430	0.000	1	108.5228	0.523	4	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	C(CC[6a]HN)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	108.6125	1.210	2	108.6125	1.464	2	108.5228	0.523	4	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(COO)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	C(CC[6a]HN)(COO)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	108.6230	0.000	1	108.6230	0.000	1	108.5228	0.523	4	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NNiC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	C(CC[6a]HN)(NNiC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	108.6952	1.025	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:3:3:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:	C(CC[6a]CN)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	H(CCCN)	C(CC[6a]CN)(NC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	H(CCCN)	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)2(H)	C(CC[6a]C)(CCCH)2(H)	H(CC3)	C(CCCH)(CCH)2(H)	C(CC[6a]C)(CCCH)2(H)	H(CC3)	107.7240	0.390	2	107.7240	0.152	2	107.8775	0.643	4	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)2(H)	C(CN[5]O)(CCCH)2(H)	H(CC3)	C(CCCH)(CCH)2(H)	C(CN[5]O)(CCCH)2(H)	H(CC3)	108.9480	0.000	1	108.9480	0.000	1	107.8775	0.643	4	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	H(CC3)	107.1140	0.000	1	107.1140	0.000	1	107.8775	0.643	4	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCO)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	H(CC3)	C(CC[5a]CH)(CCO)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	H(CC3)	106.9620	0.000	1	106.9620	0.000	1	108.7212	0.949	6	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCO)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	H(CC3)	C(CC[5a]CH)(CCO)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	H(CC3)	108.9150	0.690	2	108.9150	0.476	2	108.7212	0.949	6	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	H(CC3)	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	H(CC3)	109.1825	0.687	2	109.1825	0.471	2	108.7212	0.949	6	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	H(CC3)	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	H(CC3)	109.1700	0.000	1	109.1700	0.000	1	108.7212	0.949	6	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CNO)(COO)(H)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6]CH)(CNO)(COO)(H)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	H(CC3)	108.8760	0.000	1	108.8760	0.000	1	108.8773	2.088	3	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(COO)2(H)	C(C[6]C[6]2)(CCCH)2(H)	H(CC3)	C(CC[6]CH)(COO)2(H)	C(C[6]C[6]2)(CCCH)2(H)	H(CC3)	108.8780	2.044	2	108.8780	4.176	2	108.8773	2.088	3	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCC)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CCC)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	106.5850	0.000	1	106.5850	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CCO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	108.9320	0.000	1	108.9320	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	108.1690	0.000	1	108.1690	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	100.9130	0.000	1	100.9130	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CCO)2(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	109.4660	0.000	1	109.4660	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]N)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CC[5]N)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	107.3100	0.000	1	107.3100	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	109.2795	0.916	2	109.2795	0.839	2	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	108.8695	0.524	2	108.8695	0.275	2	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	109.4880	0.000	1	109.4880	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	109.9500	1.854	2	109.9500	3.437	2	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	110.3045	0.678	2	110.3045	0.460	2	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CNO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CNO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	109.3530	0.000	1	109.3530	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	108.0070	0.081	2	108.0070	0.006	2	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	107.6945	0.503	2	107.6945	0.253	2	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)2(H)	H(CC3)	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)2(H)	H(CC3)	107.0690	0.000	1	107.0690	0.000	1	108.3569	4.323	21	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(COO)2(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Au)(CCCH)(H)	H(CC3)	C(CC[6a]HP)(COO)2(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]2Au)(CCCH)(H)	H(CC3)	108.1250	0.000	1	108.1250	0.000	1	108.3427	1.456	4	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(COO)2(H)	C(C[6a]C[6a]2)(PC[6a]2Ni)(CCCH)(H)	H(CC3)	C(CC[6a]HP)(COO)2(H)	C(C[6a]C[6a]2)(PC[6a]2Ni)(CCCH)(H)	H(CC3)	109.2555	0.262	2	109.2555	0.069	2	108.3427	1.456	4	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(COO)2(H)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCCH)(H)	H(CC3)	C(CC[6a]HP)(COO)2(H)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCCH)(H)	H(CC3)	106.7350	0.000	1	106.7350	0.000	1	108.3427	1.456	4	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:S-4:C-4:H-1:	C-4:	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	H(CC3)	C(CC[6a]HS)(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CCCH)(H)	H(CC3)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:C-3:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CCO)(COO)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	H(CC3)	C(CCHN)(CCO)(COO)(H)	C(NC[6a]H)(CCCH)(CH3)(H)	H(CC3)	108.4163	0.076	3	108.4163	0.006	3	108.4163	0.006	3	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	H(CCCN)	C(CC[5a]CH)(COO)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	H(CCCN)	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	H(CCCN)	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	H(CCCN)	108.0460	0.000	1	108.0460	0.000	1	108.3863	0.087	3	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	C(CC[6a]CH)(COO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	108.5340	0.000	1	108.5340	0.000	1	108.3863	0.087	3	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	C(CC[6a]CH)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	108.5790	0.000	1	108.5790	0.000	1	108.3863	0.087	3	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NNiC)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	C(CC[6a]CH)(NNiC)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	109.2665	1.208	2	109.2665	1.460	2	109.2665	1.460	2	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:1:	4:	C-4:N-3:C-3:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(NMoC)(CNO)(H)	C(C[6a]C[6a]2)(NMoCH)(CCHN)(H)	H(CCCN)	C(CC[6a]HN)(NMoC)(CNO)(H)	C(C[6a]C[6a]2)(NMoCH)(CCHN)(H)	H(CCCN)	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	108.4339	2.244	49	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:2:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	H(CC3)	C(CC[6a]CO)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	H(CC3)	108.0760	1.294	2	108.0760	1.674	2	106.8426	3.982	5	106.6277	3.463	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:2:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	H(CC3)	C(CC[6a]CO)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	H(CC3)	108.3540	0.000	1	108.3540	0.000	1	106.8426	3.982	5	106.6277	3.463	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:2:	4:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCN)2(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OPb)	H(CC3)	C(CC[6a]CO)(CCN)2(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OPb)	H(CC3)	104.8535	1.006	2	104.8535	1.012	2	106.8426	3.982	5	106.6277	3.463	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:2:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	H(CCCN)	C(CC[6a]CO)(COO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	H(CCCN)	105.5530	0.000	1	105.5530	0.000	1	105.5530	0.000	1	106.6277	3.463	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:4:	4:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	H(CCCN)	C(CC[5a]CC)(CNO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	H(CCCN)	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	107.4790	0.727	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	3:4:4:4:	4:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)2	H(CCCN)	C(CC[6a]CC)(CNO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)2	H(CCCN)	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	107.4790	0.727	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCC)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CCC)(CCH)(H)	C(CCCH)(H)3	H(CC3)	107.1770	0.000	1	107.1770	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CCH)(CCO)(H)	C(CCCH)(H)3	H(CC3)	108.8030	0.000	1	108.8030	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CCH)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.8545	1.409	2	108.8545	1.986	2	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCN)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CCN)(CNO)(H)	C(CCCH)(H)3	H(CC3)	107.3620	0.000	1	107.3620	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCN)2(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CCN)2(H)	C(CCCH)(H)3	H(CC3)	106.6510	0.000	1	106.6510	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCO)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CCO)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.4790	0.000	1	108.4790	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCO)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CCO)(COO)(H)	C(CCCH)(H)3	H(CC3)	106.2685	2.739	2	106.2685	7.500	2	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CNO)(COO)(H)	C(CCCH)(H)3	H(CC3)	110.9150	0.000	1	110.9150	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)2(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(CNO)2(H)	C(CCCH)(H)3	H(CC3)	112.1640	0.000	1	112.1640	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)2(H)	C(CCCH)(H)3	H(CC3)	C(CH3)(COO)2(H)	C(CCCH)(H)3	H(CC3)	105.3700	0.000	1	105.3700	0.000	1	108.0972	4.851	12	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:Br-1:Br-1:Br-1:	C-4:	C(CBr3)(CCH)(NHS)(H)	C(CCHN)(Br)3	H(CCCN)	C(CBr3)(CCH)(NHS)(H)	C(CCHN)(Br)3	H(CCCN)	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CCH)(NCH)(H)	C(CCHN)(Br)(H)2	H(CCCN)	C(CBrHH)(CCH)(NCH)(H)	C(CCHN)(Br)(H)2	H(CCCN)	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(CCH)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	C(CF3)(CCH)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CCH)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	107.6280	0.000	1	107.6280	0.000	1	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CCH)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	107.8910	0.064	2	107.8910	0.004	2	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CCH)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	107.1290	0.000	1	107.1290	0.000	1	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CCH)(NHN)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CCH)(NHN)(H)	C(CCHN)(H)3	H(CCCN)	109.6970	0.000	1	109.6970	0.000	1	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHH)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CHH)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.1540	0.000	1	108.1540	0.000	1	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHH)(NCP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CHH)(NCP)(H)	C(CCHN)(H)3	H(CCCN)	100.3545	5.355	2	100.3545	28.675	2	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHN)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CHN)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.8720	0.000	1	108.8720	0.000	1	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CHO)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CHO)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.0100	0.000	1	108.0100	0.000	1	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	108.1301	1.394	11	108.1301	1.942	11	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.6537	1.624	150	108.6537	2.637	150	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NCN)(H)	C(CCHN)(H)3	H(CCCN)	107.1728	1.375	6	107.1728	1.892	6	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	109.2515	0.600	6	109.2515	0.360	6	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(CNO)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.3416	0.999	8	108.3416	0.998	8	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(COO)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.6763	0.807	3	106.6763	0.651	3	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(COO)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.6716	1.535	132	108.6716	2.356	132	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(NHP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(COO)(NHP)(H)	C(CCHN)(H)3	H(CCCN)	108.4245	0.617	11	108.4245	0.381	11	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(COO)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.6360	0.487	9	108.6360	0.237	9	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(COO)(NPP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(COO)(NPP)(H)	C(CCHN)(H)3	H(CCCN)	106.0210	0.000	1	106.0210	0.000	1	108.5298	2.752	347	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CHHI)(COO)(NCH)(H)	C(CCHN)(H)2(I)	H(CCCN)	C(CHHI)(COO)(NCH)(H)	C(CCHN)(H)2(I)	H(CCCN)	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:1:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:S-1:	C-4:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(H)2(S)	H(CCCN)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(H)2(S)	H(CCCN)	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	108.5115	2.791	364	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CC)(H)2	H(CC3)	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CC)(H)2	H(CC3)	107.9680	0.000	1	107.9680	0.000	1	109.0690	1.137	3	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CNO)2(H)	C(CCCH)(CC)(H)2	H(CC3)	C(CCHH)(CNO)2(H)	C(CCCH)(CC)(H)2	H(CC3)	109.6195	0.675	2	109.6195	0.456	2	109.0690	1.137	3	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CC)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CC)(H)2	H(CCCN)	111.7000	0.000	1	111.7000	0.000	1	108.6890	5.260	4	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CN)(H)2	H(CCCN)	109.1250	0.000	1	109.1250	0.000	1	108.6890	5.260	4	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CC)(H)2	H(CCCN)	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CC)(H)2	H(CCCN)	106.9655	0.763	2	106.9655	0.582	2	108.6890	5.260	4	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CHHO)(CCH)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	106.6500	0.000	2	106.6500	0.000	2	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CCH)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CCH)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.6140	0.000	1	107.6140	0.000	1	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.3883	1.475	3	108.3883	2.175	3	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CNO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.7815	0.662	15	108.7815	0.439	15	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(COO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.4115	6.256	2	106.4115	39.135	2	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	109.3645	0.719	2	109.3645	0.517	2	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(COO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.7810	1.022	27	107.7810	1.044	27	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(COO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(COO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.5030	0.000	1	108.5030	0.000	1	108.0744	1.937	53	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	109.3763	0.792	3	109.3763	0.628	3	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SH)(H)2	H(CCCN)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SH)(H)2	H(CCCN)	106.8547	0.366	4	106.8547	0.134	4	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SS)(H)2	H(CCCN)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SS)(H)2	H(CCCN)	108.2750	0.000	1	108.2750	0.000	1	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CNO)(NHH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	C(CHHS)(CNO)(NHH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	108.1200	0.000	1	108.1200	0.000	1	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SC)(H)2	H(CCCN)	107.9483	1.079	7	107.9483	1.165	7	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SH)(H)2	H(CCCN)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SH)(H)2	H(CCCN)	107.3676	0.190	7	107.3676	0.036	7	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SRu)(H)2	H(CCCN)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SRu)(H)2	H(CCCN)	107.3755	0.869	2	107.3755	0.755	2	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SS)(H)2	H(CCCN)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SS)(H)2	H(CCCN)	107.9885	0.902	6	107.9885	0.814	6	107.8012	0.903	31	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCuC)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(NCuC)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.8387	2.656	3	107.8387	7.052	3	108.3585	2.874	8	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NNiC)(CNO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(NNiC)(CNO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4820	1.156	4	108.4820	1.337	4	108.3585	2.874	8	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NSnC)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(NSnC)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.4240	0.000	1	109.4240	0.000	1	108.3585	2.874	8	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NNiC)(COO)(H)	C(CCHN)(SNi)(H)2	H(CCCN)	C(CHHS)(NNiC)(COO)(H)	C(CCHN)(SNi)(H)2	H(CCCN)	107.7630	0.000	1	107.7630	0.000	1	107.5565	0.085	2	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NTcC)(CNO)(H)	C(CCHN)(STc)(H)2	H(CCCN)	C(CHHS)(NTcC)(CNO)(H)	C(CCHN)(STc)(H)2	H(CCCN)	107.3500	0.000	1	107.3500	0.000	1	107.5565	0.085	2	108.0567	1.740	101	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CC)(OH)(H)	H(CCCN)	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CC)(OH)(H)	H(CCCN)	107.9900	0.000	2	107.9900	0.000	2	107.9900	0.000	2	107.9900	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(CSeCH)(COO)(NCH)(H)	C(CCHN)(SeSe)(CH3)(H)	H(CCCN)	C(CSeCH)(COO)(NCH)(H)	C(CCHN)(SeSe)(CH3)(H)	H(CCCN)	108.0175	0.438	2	108.0175	0.192	2	108.0175	0.192	2	107.6050	0.606	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:2:4:1:	4:	C-4:C-3:N-3:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:	C(CC[5]HO)(COO)(NOO)(H)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	H(CCCN)	C(CC[5]HO)(COO)(NOO)(H)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	H(CCCN)	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	107.6050	0.606	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(CCH)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)(CCC)(CCH)(H)	C(CCCH)(CCO)(H)2	H(CC3)	108.4240	0.000	1	108.4240	0.000	1	108.3141	1.494	9	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCC)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CCC)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.5960	0.000	1	107.5960	0.000	1	108.3141	1.494	9	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CCH)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.9090	0.000	1	107.9090	0.000	1	108.3141	1.494	9	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)2(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)(CCH)2(H)	C(CCCH)(CCC)(H)2	H(CC3)	109.5285	1.743	2	109.5285	3.038	2	108.3141	1.494	9	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	106.9565	0.029	2	106.9565	0.001	2	108.3141	1.494	9	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCO)2(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CCO)2(H)	C(CCCH)(COO)(H)2	H(CC3)	108.3540	0.000	1	108.3540	0.000	1	108.3141	1.494	9	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CNO)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	109.5740	0.000	1	109.5740	0.000	1	108.3141	1.494	9	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCH)(NCH)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	C(CCHH)(CCH)(NCH)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	108.7740	0.000	1	108.7740	0.000	1	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	108.1570	0.000	1	108.1570	0.000	1	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	107.8090	1.266	2	107.8090	1.602	2	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	107.3505	1.073	2	107.3505	1.151	2	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.5002	0.604	4	107.5002	0.365	4	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(COO)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	106.0380	0.000	1	106.0380	0.000	1	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	108.8390	0.000	1	108.8390	0.000	1	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	108.4233	1.151	3	108.4233	1.325	3	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	106.7950	0.000	1	106.7950	0.000	1	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	109.0508	1.260	5	109.0508	1.587	5	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.6517	1.073	23	107.6517	1.151	23	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	108.3970	0.286	2	108.3970	0.082	2	107.8745	1.227	46	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SCN)(H)2	H(CCCN)	C(CHHS)(CNO)(NCH)(H)	C(CCHN)(SCN)(H)2	H(CCCN)	108.2390	0.000	2	108.2390	0.000	2	107.5653	0.571	6	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(COO)(NCC)(H)	C(CCHN)(SFe2)(H)2	H(CCCN)	C(CHHS)(COO)(NCC)(H)	C(CCHN)(SFe2)(H)2	H(CCCN)	107.1810	0.000	1	107.1810	0.000	1	107.5653	0.571	6	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SCO)(H)2	H(CCCN)	C(CHHS)(COO)(NCH)(H)	C(CCHN)(SCO)(H)2	H(CCCN)	107.2443	0.864	3	107.2443	0.746	3	107.5653	0.571	6	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:N-3:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NOO)2(H)	C(CHNN)(NCN)(H)2	H(CCNN)	C(CHHN)(NOO)2(H)	C(CHNN)(NCN)(H)2	H(CCNN)	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:O-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OCoH)(COO)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(OCoH)(COO)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.9000	0.000	1	108.9000	0.000	1	108.9168	0.156	4	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:O-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(ONiH)(COO)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(ONiH)(COO)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.9640	0.000	1	108.9640	0.000	1	108.9168	0.156	4	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:1:1:	4:	C-4:O-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(OSrH)(COO)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(OSrH)(COO)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.9015	0.682	2	108.9015	0.466	2	108.9168	0.156	4	107.9982	1.227	66	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CCH)(NCC)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	C(CCHO)(CCH)(NCC)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	104.8620	0.000	1	104.8620	0.000	1	104.8620	0.000	1	108.0657	7.713	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:2:1:	4:	C-4:O-3:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(OCoH)(COO)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHO)(OCoH)(COO)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	109.6675	0.176	2	109.6675	0.031	2	109.6675	0.031	2	108.0657	7.713	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCN)2(H)	C(CCCH)(CCN)2(H)	H(CC3)	C(CCCH)(CCN)2(H)	C(CCCH)(CCN)2(H)	H(CC3)	103.3560	0.257	2	103.3560	0.066	2	103.9530	6.658	4	105.9159	5.487	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CNO)2(H)	C(CCCH)(CNO)2(H)	H(CC3)	C(CCCH)(CNO)2(H)	C(CCCH)(CNO)2(H)	H(CC3)	101.5100	0.000	1	101.5100	0.000	1	103.9530	6.658	4	105.9159	5.487	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CCCH)(COO)2(H)	H(CC3)	107.5900	0.000	1	107.5900	0.000	1	103.9530	6.658	4	105.9159	5.487	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CNO)(COO)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	C(CCHN)(CNO)(COO)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	107.1450	0.000	1	107.1450	0.000	1	107.1450	0.000	1	105.9159	5.487	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CNO)(COO)(H)	H(CCCN)	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CNO)(COO)(H)	H(CCCN)	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	105.9159	5.487	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:1:	4:	C-4:C[6a]-3:N[5]-3:H-1:	C-4:C[6a]-3:N[5]-3:H-1:	C-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	H(CC[6a]N[5]C)	107.0945	0.528	2	107.0945	0.279	2	107.0945	0.279	2	105.9159	5.487	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:1:	4:	C-4:O-3:C-3:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(CCHO)(OMgH)(COO)(H)	C(CCHO)(OMgH)(COO)(H)	H(CCCO)	C(CCHO)(OMgH)(COO)(H)	C(CCHO)(OMgH)(COO)(H)	H(CCCO)	107.0300	1.673	2	107.0300	2.799	2	107.0300	2.799	2	105.9159	5.487	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:2:	4:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(COO)2(H)	C(CCCH)(COO)2(OH)	H(CC3)	C(CCCO)(COO)2(H)	C(CCCH)(COO)2(OH)	H(CC3)	107.1280	0.000	1	107.1280	0.000	1	107.1280	0.000	1	106.9155	0.090	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:3:2:	4:	C-4:C-3:N-3:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(COO)(NCC)(H)	C(CCHN)(CCH)(COO)(OH)	H(CCCN)	C(CCCO)(COO)(NCC)(H)	C(CCHN)(CCH)(COO)(OH)	H(CCCN)	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.9155	0.090	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:3:4:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(COO)2(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[6a]C[5]H)(COO)2(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	110.3000	0.000	1	110.3000	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCN)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.6740	0.000	1	108.6740	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCN)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCN)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.7370	0.000	1	107.7370	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCO)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.1610	0.000	1	107.1610	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)2(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CCO)2(H)	C(CCCH)2(H)2	H(CC3)	108.4495	0.087	2	108.4495	0.008	2	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CIrC)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CIrC)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	101.0250	0.000	1	101.0250	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CNO)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.6923	0.117	3	108.6923	0.014	3	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CNO)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	110.3970	0.000	1	110.3970	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)2(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CCHH)(CNO)2(H)	C(CCCH)(CHHO)(H)2	H(CC3)	109.1260	0.000	1	109.1260	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.9355	0.541	2	107.9355	0.293	2	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.9082	0.431	4	107.9082	0.186	4	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CCCH)2(H)2	H(CC3)	107.4260	0.000	1	107.4260	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CC[5a]CH)(CCCH)(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CC[5a]CH)(CCCH)(H)2	H(CC3)	107.8080	0.000	1	107.8080	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CC[5a]C[6a]H)(CCCH)(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CC[5a]C[6a]H)(CCCH)(H)2	H(CC3)	109.3370	0.000	1	109.3370	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	107.3190	0.000	1	107.3190	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC3)	108.4820	0.000	1	108.4820	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)2(H)	C(CN[5a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(COO)2(H)	C(CN[5a]HH)(CCCH)(H)2	H(CC3)	108.7220	0.000	1	108.7220	0.000	1	108.0831	2.963	24	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CNO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CNO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	108.8080	0.301	2	108.8080	0.091	2	110.0285	3.382	4	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)2(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(COO)2(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(CC3)	111.2490	2.024	2	111.2490	4.096	2	110.0285	3.382	4	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(COO)2(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	H(CC3)	C(CC[6,6]HH)(COO)2(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	H(CC3)	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)2(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(COO)2(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(CC3)	107.8770	0.000	1	107.8770	0.000	1	107.7787	0.707	3	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)2(H)	C(C[6]C[6,6a]2H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(COO)2(H)	C(C[6]C[6,6a]2H)(CCCH)(H)2	H(CC3)	106.8930	0.000	1	106.8930	0.000	1	107.7787	0.707	3	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)2(H)	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(COO)2(H)	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	H(CC3)	108.5660	0.000	1	108.5660	0.000	1	107.7787	0.707	3	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:C-3:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(CCH)(CNO)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	C(CHHS)(CCH)(CNO)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(COO)(NCH)(H)	C(AsC[6a]2Rh)(CCHN)(H)2	H(CCCN)	C(CAsHH)(COO)(NCH)(H)	C(AsC[6a]2Rh)(CCHN)(H)2	H(CCCN)	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(Br)(H)	H(CCCN)	C(CBrCH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(Br)(H)	H(CCCN)	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCH)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	H(CCCN)	C(CClCH)(CCH)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	H(CCCN)	107.7230	0.000	1	107.7230	0.000	1	107.7230	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCC)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCC)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	107.5593	0.099	3	107.5593	0.010	3	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCH)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.8675	0.484	2	106.8675	0.235	2	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NCC)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(CCHH)(CCH)(NCC)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	106.9070	0.000	1	106.9070	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.3658	0.536	6	108.3658	0.287	6	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.3860	0.332	5	108.3860	0.110	5	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NCO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCH)(NCO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.0740	0.000	1	109.0740	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.5600	0.000	1	108.5600	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	C(CCHH)(CCH)(NHS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	108.5260	0.000	1	108.5260	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.0370	0.000	1	108.0370	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCO)(NCH)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(CCO)(NCH)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	108.4880	0.000	1	108.4880	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHH)(NCH)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHH)(NCH)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.5210	0.000	1	108.5210	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.2160	0.000	1	109.2160	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.2087	0.212	3	108.2087	0.045	3	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.9445	0.267	2	108.9445	0.071	2	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(CNO)(NCC)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	108.4360	0.000	1	108.4360	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.1577	1.157	166	108.1577	1.338	166	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.2864	0.853	23	108.2864	0.727	23	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.7310	0.000	1	108.7310	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	109.4335	1.868	4	109.4335	3.488	4	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	108.5090	0.058	2	108.5090	0.003	2	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NCH)(H)	C(CSeHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NCH)(H)	C(CSeHH)(CCHN)(H)2	H(CCCN)	108.1060	0.000	1	108.1060	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNO)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CNO)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	110.3130	0.000	1	110.3130	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCC)(H)	C(CCCF)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCC)(H)	C(CCCF)(CCHN)(H)2	H(CCCN)	106.0560	0.000	1	106.0560	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.3592	2.897	5	109.3592	8.392	5	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	105.6710	1.065	2	105.6710	1.134	2	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.4551	1.052	86	108.4551	1.107	86	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCFH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCFH)(CCHN)(H)2	H(CCCN)	106.6462	0.253	5	106.6462	0.064	5	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.1156	1.671	39	108.1156	2.793	39	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	106.9030	0.000	1	106.9030	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.9366	0.747	5	107.9366	0.558	5	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	108.4560	1.202	11	108.4560	1.445	11	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CC[5]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CC[5]HH)(CCHN)(H)2	H(CCCN)	109.3260	0.000	1	109.3260	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	108.3722	0.781	4	108.3722	0.610	4	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCH)(H)	C(CP[5]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCH)(H)	C(CP[5]HH)(CCHN)(H)2	H(CCCN)	107.6820	0.000	1	107.6820	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.2720	0.000	1	107.2720	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.4000	0.986	3	106.4000	0.972	3	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(CCHH)(COO)(NCS)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	106.3690	0.000	1	106.3690	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.3480	0.000	1	109.3480	0.000	1	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NHP)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NHP)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.2453	1.344	3	108.2453	1.807	3	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.0896	0.608	7	108.0896	0.369	7	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.2540	0.348	3	108.2540	0.121	3	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(COO)(NHS)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	108.7582	0.427	5	108.7582	0.182	5	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COS)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(COS)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.6475	0.349	2	107.6475	0.122	2	108.2218	1.443	415	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(CNO)(NCH)(H)	C(CCHN)(CCHO)(H)(I)	H(CCCN)	C(CCHI)(CNO)(NCH)(H)	C(CCHN)(CCHO)(H)(I)	H(CCCN)	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)(O)	H(CCCN)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(H)(O)	H(CCCN)	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CNO)(NCH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	H(CCCN)	C(CC[5,6]HH)(CNO)(NCH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	H(CCCN)	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]O[5]H)(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(COO)(NCH)(H)	C(C[5]C[5]O[5]H)(CCHN)(H)2	H(CCCN)	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2F)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2F)(CCHN)(H)2	H(CCCN)	108.0740	0.000	1	108.0740	0.000	1	108.5160	0.388	10	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(H)2	H(CCCN)	108.7985	0.518	6	108.7985	0.269	6	108.5160	0.388	10	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2O)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2O)(CCHN)(H)2	H(CCCN)	108.6230	0.000	1	108.6230	0.000	1	108.5160	0.388	10	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:C-3:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2Ru)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(COO)(NCH)(H)	C(C[6]C[6]2Ru)(CCHN)(H)2	H(CCCN)	107.8360	0.733	2	107.8360	0.537	2	108.5160	0.388	10	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCuC)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.2347	0.296	3	107.2347	0.087	3	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCuC)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.2580	0.000	1	109.2580	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NNiC)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.2540	0.000	1	107.2540	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NNiC)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	110.4840	0.000	1	110.4840	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	110.0010	0.935	2	110.0010	0.874	2	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(COO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(NNiC)(COO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.8290	0.000	1	109.8290	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(COO)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	C(CCHH)(NNiC)(COO)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	110.0395	0.117	2	110.0395	0.014	2	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(COO)(H)	C(CC[6a]CC)(CCHN)(H)2	H(CCCN)	C(CCHH)(NNiC)(COO)(H)	C(CC[6a]CC)(CCHN)(H)2	H(CCCN)	110.1910	0.000	1	110.1910	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NPtC)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(NPtC)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	106.4640	0.000	1	106.4640	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSnC)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NSnC)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	103.6410	0.000	1	103.6410	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NSnC)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(NSnC)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	112.3990	0.000	1	112.3990	0.000	1	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NZnC)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NZnC)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.2245	0.957	2	109.2245	0.915	2	108.8091	4.319	17	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CHHO)(NNiC)(CHH)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	C(CHHO)(NNiC)(CHH)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	103.0210	0.000	1	103.0210	0.000	1	103.0210	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NNiC)(COO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(NNiC)(COO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	H(CCCN)	110.0740	0.000	1	110.0740	0.000	1	110.4685	0.311	2	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NNiC)(COO)(H)	C(C[6]C[6]2H)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(NNiC)(COO)(H)	C(C[6]C[6]2H)(CCHN)(H)2	H(CCCN)	110.8630	0.000	1	110.8630	0.000	1	110.4685	0.311	2	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:N-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCH)2(H)	C(CCCH)(CHNN)(H)2	H(CCNN)	C(CCHH)(NCH)2(H)	C(CCCH)(CHNN)(H)2	H(CCNN)	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:O-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OOsH)(CCP)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCHH)(OOsH)(CCP)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:1:1:	4:	C-4:S-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SIr2)(CCO)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(SIr2)(CCO)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	109.8700	0.908	2	109.8700	0.824	2	109.8700	0.824	2	108.2559	1.682	489	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCH)(COO)(H)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	H(CC3)	C(CC[5]HO)(CCH)(COO)(H)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	H(CC3)	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-2:Cl-1:	C-4:	C(CClCC)(CNO)(NHS)(H)	C(CCHN)(CH3)(CC)(Cl)	H(CCCN)	C(CClCC)(CNO)(NHS)(H)	C(CCHN)(CH3)(CC)(Cl)	H(CCCN)	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCH)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	C(CCHO)(CCH)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	106.8650	0.000	1	106.8650	0.000	1	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	107.5993	1.023	3	107.5993	1.046	3	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	107.7690	0.000	1	107.7690	0.000	1	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OS)(H)	H(CCCN)	C(CCHO)(CNO)(NCH)(H)	C(CCHN)(CH3)(OS)(H)	H(CCCN)	106.7800	0.225	2	106.7800	0.051	2	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	108.1865	0.848	2	108.1865	0.719	2	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(CCHO)(COO)(NCH)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	108.2336	0.765	13	108.2336	0.585	13	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(NCS)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	C(CCHO)(COO)(NCS)(H)	C(CCHN)(CH3)(OC)(H)	H(CCCN)	107.7460	0.219	2	107.7460	0.048	2	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(CCHO)(COO)(NHS)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	108.0880	0.000	1	108.0880	0.000	1	107.9193	0.645	25	107.9858	0.653	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:2:2:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(COO)(NCH)(H)	C(CCHN)(CF3)(OH)2	H(CCCN)	C(CCOO)(COO)(NCH)(H)	C(CCHN)(CF3)(OH)2	H(CCCN)	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.0900	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CCCH)(CCHH)(CCO)(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CCCH)(CCHH)(CCO)(H)	H(CC3)	109.0770	0.000	1	109.0770	0.000	1	108.6870	0.491	5	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CCCH)(CF3)(CCH)(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CCCH)(CF3)(CCH)(H)	H(CC3)	108.8490	0.000	1	108.8490	0.000	1	108.6870	0.491	5	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CCCH)2(CHN)(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CCCH)2(CHN)(H)	H(CC3)	109.5570	0.000	1	109.5570	0.000	1	108.6870	0.491	5	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	H(CC3)	107.9760	0.134	2	107.9760	0.018	2	108.6870	0.491	5	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCH)(COO)(H)	C(CCCH)(CFFH)(NHS)(H)	H(CC3)	C(CCHN)(CCH)(COO)(H)	C(CCCH)(CFFH)(NHS)(H)	H(CC3)	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(COO)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	H(CC3)	C(CC[6]CH)(COO)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	H(CC3)	107.4880	0.679	2	107.4880	0.461	2	107.4880	0.461	2	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(CCH)2(H)	C(C[6]C[6]2H)(CCCH)(NHS)(H)	H(CC3)	C(CC[6]HN)(CCH)2(H)	C(C[6]C[6]2H)(CCCH)(NHS)(H)	H(CC3)	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(COO)2(H)	C(NCoHH)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(COO)2(H)	C(NCoHH)(CCCH)(COO)(H)	H(CC3)	108.0285	3.478	2	108.0285	12.098	2	108.0285	12.098	2	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:C-3:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHP)(COO)2(H)	C(PC[6a]2O)(CCCH)(CCH)(H)	H(CC3)	C(CCHP)(COO)2(H)	C(PC[6a]2O)(CCCH)(CCH)(H)	H(CC3)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(NCC)(H)	C(CCCH)(CCHN)(COO)(H)	H(CCCN)	C(CCCH)(CCH)(NCC)(H)	C(CCCH)(CCHN)(COO)(H)	H(CCCN)	104.1720	0.000	1	104.1720	0.000	1	107.4954	6.441	9	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(NCC)(H)	C(CC[6a]CH)(CCHN)(COO)(H)	H(CCCN)	C(CCCH)(CCH)(NCC)(H)	C(CC[6a]CH)(CCHN)(COO)(H)	H(CCCN)	104.4345	1.428	2	104.4345	2.038	2	107.4954	6.441	9	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)(CCO)(H)	H(CCCN)	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)(CCO)(H)	H(CCCN)	108.7800	0.000	1	108.7800	0.000	1	107.4954	6.441	9	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCN)(NCC)(H)	C(CCHN)(CC3)(CCH)(H)	H(CCCN)	C(CCCH)(CCN)(NCC)(H)	C(CCHN)(CC3)(CCH)(H)	H(CCCN)	110.1120	0.000	1	110.1120	0.000	1	107.4954	6.441	9	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	H(CCCN)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)(CCH)(H)	H(CCCN)	109.3410	0.000	1	109.3410	0.000	1	107.4954	6.441	9	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CCHN)(CCC)(H)	H(CCCN)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CCHN)(CCC)(H)	H(CCCN)	108.3300	0.000	1	108.3300	0.000	1	107.4954	6.441	9	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CCC)(H)	H(CCCN)	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CCC)(H)	H(CCCN)	108.9275	1.735	2	108.9275	3.009	2	107.4954	6.441	9	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCH)(NCC)(H)	C(CC[6a]HH)(CCHN)(NHS)(H)	H(CCCN)	C(CCHN)(CCH)(NCC)(H)	C(CC[6a]HH)(CCHN)(NHS)(H)	H(CCCN)	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	107.8893	3.540	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:2:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCH)(CNO)(H)	C(CCCH)(CCHH)(COO)(OH)	H(CC3)	C(CCCO)(CCH)(CNO)(H)	C(CCCH)(CCHH)(COO)(OH)	H(CC3)	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	108.2163	0.577	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:2:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(NHS)(H)	C(CCHN)(CH3)(CCC)(OH)	H(CCCN)	C(CCCO)(COO)(NHS)(H)	C(CCHN)(CH3)(CCC)(OH)	H(CCCN)	108.4420	0.000	2	108.4420	0.000	2	108.5827	0.059	3	108.2163	0.577	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:3:2:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(OH)	H(CCCN)	C(CCCO)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(OH)	H(CCCN)	108.8640	0.000	1	108.8640	0.000	1	108.5827	0.059	3	108.2163	0.577	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(CCO)(H)	C(CC[5]HO)(CCCH)(CH3)(H)	H(CC3)	C(CCCH)(CCH)(CCO)(H)	C(CC[5]HO)(CCCH)(CH3)(H)	H(CC3)	106.9750	0.000	1	106.9750	0.000	1	107.1824	1.473	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(CHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCH)(CHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	105.3960	0.000	1	105.3960	0.000	1	107.1824	1.473	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(CNO)(H)	C(CC[6a]CH)(CCCH)(CH3)(H)	H(CC3)	C(CCCH)(CCH)(CNO)(H)	C(CC[6a]CH)(CCCH)(CH3)(H)	H(CC3)	106.9600	0.000	1	106.9600	0.000	1	107.1824	1.473	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CCCH)(CCHH)(CCHN)(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CCCH)(CCHH)(CCHN)(H)	H(CC3)	108.5680	0.000	1	108.5680	0.000	1	107.1824	1.473	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)2(H)	C(CCCH)(CCHN)(CH3)(H)	H(CC3)	C(CCCH)(COO)2(H)	C(CCCH)(CCHN)(CH3)(H)	H(CC3)	108.0130	0.000	1	108.0130	0.000	1	107.1824	1.473	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6a]O)2(H)	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	H(CC3)	C(CC[5]CH)(CC[6a]O)2(H)	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	H(CC3)	109.3325	0.470	2	109.3325	0.221	2	107.7006	3.256	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	H(CC3)	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	H(CC3)	107.4770	0.000	1	107.4770	0.000	1	107.7006	3.256	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	H(CC3)	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	H(CC3)	104.9960	0.000	1	104.9960	0.000	1	107.7006	3.256	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	H(CC3)	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	H(CC3)	107.3650	0.000	1	107.3650	0.000	1	107.7006	3.256	5	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCH)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.9860	0.000	1	106.9860	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CCH)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	106.5960	0.000	2	106.5960	0.000	2	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.9830	1.281	2	106.9830	1.642	2	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCH)(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCH)(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.5770	0.000	1	107.5770	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CCO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	109.0100	0.000	1	109.0100	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CNO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	107.9390	0.000	1	107.9390	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CF3)2(H)	H(CCCN)	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CF3)2(H)	H(CCCN)	105.3930	0.174	2	105.3930	0.030	2	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CNO)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.7540	1.696	9	106.7540	2.877	9	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CNO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	107.8760	1.844	22	107.8760	3.400	22	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CNO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.9683	0.980	82	107.9683	0.960	82	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NCH)(H)	C(CSiHH)(CCHH)(CCHN)(H)	H(CCCN)	C(CCCH)(CNO)(NCH)(H)	C(CSiHH)(CCHH)(CCHN)(H)	H(CCCN)	108.4630	0.000	1	108.4630	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NCS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CNO)(NCS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.4560	0.187	2	107.4560	0.035	2	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NHH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CNO)(NHH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.6595	0.615	4	108.6595	0.379	4	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CNO)(NHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.1053	0.649	6	108.1053	0.421	6	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CNO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.4230	0.212	2	108.4230	0.045	2	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CNO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	109.4537	1.366	4	109.4537	1.866	4	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NCC)(H)	C(CCHH)(CCHN)(CHHO)(H)	H(CCCN)	C(CCCH)(COO)(NCC)(H)	C(CCHH)(CCHN)(CHHO)(H)	H(CCCN)	106.1300	0.310	2	106.1300	0.096	2	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(COO)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.9737	0.617	6	106.9737	0.381	6	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(COO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.3885	1.253	31	108.3885	1.571	31	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(COO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.6840	1.980	100	107.6840	3.920	100	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	107.6640	0.000	1	107.6640	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NCS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(COO)(NCS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.3860	0.000	1	106.3860	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(COO)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.5860	0.000	1	108.5860	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(COO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.1734	0.595	8	108.1734	0.354	8	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	107.9870	0.000	1	107.9870	0.000	1	107.8388	2.376	293	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCuC)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(NCuC)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	109.4360	0.000	1	109.4360	0.000	1	108.3632	2.391	14	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCuC)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NCuC)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	109.4185	0.196	2	109.4185	0.038	2	108.3632	2.391	14	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NNiC)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NNiC)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.6655	0.244	4	108.6655	0.059	4	108.3632	2.391	14	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NNiH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NNiH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.5230	0.000	1	106.5230	0.000	1	108.3632	2.391	14	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NSnC)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(NSnC)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	110.0420	0.000	1	110.0420	0.000	1	108.3632	2.391	14	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:1:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NSnC)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NSnC)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.5170	2.082	5	107.5170	4.335	5	108.3632	2.391	14	107.8494	2.373	317	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:2:	4:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(NReC)(COO)(H)	C(CCHN)(CH3)2(SRe)	H(CCCN)	C(CCCS)(NReC)(COO)(H)	C(CCHN)(CH3)2(SRe)	H(CCCN)	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:3:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CCH)(NHS)(H)	C(CCHN)(CH3)2(CCH)	H(CCCN)	C(CC3)(CCH)(NHS)(H)	C(CCHN)(CH3)2(CCH)	H(CCCN)	108.7620	0.000	1	108.7620	0.000	1	106.9330	2.612	3	106.9330	2.612	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:3:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(COO)(NCN)(H)	C(CCHH)(CCHN)(CH3)(CCH)	H(CCCN)	C(CC3)(COO)(NCN)(H)	C(CCHH)(CCHN)(CH3)(CCH)	H(CCCN)	106.0185	0.453	2	106.0185	0.205	2	106.9330	2.612	3	106.9330	2.612	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCH)(CCN)(H)	C(CCCH)(CH3)3	H(CC3)	C(CC3)(CCH)(CCN)(H)	C(CCCH)(CH3)3	H(CC3)	100.5560	0.000	1	100.5560	0.000	1	104.7885	8.358	4	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CCO)2(H)	C(CCCH)2(CCHH)(CH3)	H(CC3)	C(CC3)(CCO)2(H)	C(CCCH)2(CCHH)(CH3)	H(CC3)	105.7540	0.000	2	105.7540	0.000	2	104.7885	8.358	4	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)2(H)	C(CCCH)(CCHH)(CH3)2	H(CC3)	C(CC3)(COO)2(H)	C(CCCH)(CCHH)(CH3)2	H(CC3)	107.0900	0.000	1	107.0900	0.000	1	104.7885	8.358	4	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CHN)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CHN)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	107.5710	0.761	2	107.5710	0.579	2	107.5863	1.246	16	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CNO)(NCC)(H)	C(CCHN)(CH3)3	H(CCCN)	106.1453	0.631	3	106.1453	0.398	3	107.5863	1.246	16	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CNO)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CNO)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	108.6303	1.524	3	108.6303	2.322	3	107.5863	1.246	16	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(COO)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	107.8317	0.949	4	107.8317	0.900	4	107.5863	1.246	16	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:3:1:	4:4:4:4:	4:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(COO)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(COO)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	107.6462	0.269	4	107.6462	0.072	4	107.5863	1.246	16	107.0267	3.622	20	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	2:4:1:1:	4:	C-4:N-3:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	C(OC[6])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	C(OC[6])(CCHN)(H)2	H(CCCN)	109.2825	0.265	2	109.2825	0.070	2	109.2825	0.070	2	109.2825	0.070	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	H(CC3)	109.5350	0.000	1	109.5350	0.000	1	109.5350	0.000	1	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	108.5330	0.000	1	108.5330	0.000	1	109.1815	0.841	2	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	109.8300	0.000	1	109.8300	0.000	1	109.1815	0.841	2	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	106.1900	0.000	1	106.1900	0.000	1	108.2423	3.572	3	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	109.2685	0.909	2	109.2685	0.826	2	108.2423	3.572	3	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	108.0930	0.000	1	108.0930	0.000	1	107.6907	0.742	4	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	106.7550	0.000	1	106.7550	0.000	1	107.6907	0.742	4	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	107.2340	0.000	1	107.2340	0.000	1	107.6907	0.742	4	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	H(CC[6a]CC)	108.6810	0.000	1	108.6810	0.000	1	107.6907	0.742	4	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	H(CCCN)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	H(CCCN)	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:P-3:C-4:H-1:	C-4:	C(CC[6a]HP)(NFeC)(CH3)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	H(CCCN)	C(CC[6a]HP)(NFeC)(CH3)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	H(CCCN)	108.5795	0.030	2	108.5795	0.001	2	108.5795	0.001	2	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C-4:O-3:C-4:H-1:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	H(CCCO)	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	H(CCCO)	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[5]-3:C[6]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	H(CC[5]C[6]C)	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.2105	1.257	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:3:4:3:	4:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	H(CC[6a]CC)	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	H(CC[6a]CC)	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.2516	0.229	7	109.2516	0.053	7	109.0438	0.319	11	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.6770	0.000	1	107.6770	0.000	1	109.0438	0.319	11	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.6900	0.000	1	109.6900	0.000	1	109.0438	0.319	11	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.6770	0.140	2	108.6770	0.020	2	109.0438	0.319	11	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:C-3:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CN[5]O)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.4850	0.000	2	108.4850	0.000	2	108.9050	0.261	4	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.3250	0.276	2	109.3250	0.076	2	108.9050	0.261	4	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:N-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(N[5]C[5,5]C[5])(CCHN)(H)2	H(CCCN)	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(N[5]C[5,5]C[5])(CCHN)(H)2	H(CCCN)	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:N-3:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	H(CCNP)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	H(CCNP)	108.3417	0.130	3	108.3417	0.017	3	108.3417	0.017	3	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:S-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	H(CCCS)	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	H(CCCS)	107.2545	0.812	8	107.2545	0.660	8	107.2015	0.560	10	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:S-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	H(CCCS)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	H(CCCS)	107.3820	0.000	1	107.3820	0.000	1	107.2015	0.560	10	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C-4:S-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]N[5])(CCHS)(H)2	H(CCCS)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]N[5])(CCHS)(H)2	H(CCCS)	106.5970	0.000	1	106.5970	0.000	1	107.2015	0.560	10	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	H(CC[6a]C[5]C)	107.9250	0.000	1	107.9250	0.000	1	107.5250	0.320	2	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(CC[6a]C[5]H)(H)2	H(CC[6a]C[5]C)	107.1250	0.000	1	107.1250	0.000	1	107.5250	0.320	2	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]C[5]H)(H)2	H(CC[6a]C[5]C)	106.7400	0.000	1	106.7400	0.000	1	106.7400	0.000	1	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:B[5]-3:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	H(CB[5]C[6]C)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	H(CB[5]C[6]C)	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	C[6]-4:B[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	H(CB[5]C[6]C)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	H(CB[5]C[6]C)	106.9840	0.000	1	106.9840	0.000	1	106.9840	0.000	1	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:1:1:	4:	S-4:C-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CC[6a]C)(CCHS)(H)2	H(CCCS)	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CC[6a]C)(CCHS)(H)2	H(CCCS)	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	108.1942	1.109	36	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	H(CC3)	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	H(CC3)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	H(CC3)	109.4980	0.000	1	109.4980	0.000	1	108.6155	1.558	2	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	H(CC3)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	H(CC3)	107.7330	0.000	1	107.7330	0.000	1	108.6155	1.558	2	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	106.3640	0.000	1	106.3640	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	H(CC3)	109.7280	0.000	1	109.7280	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	110.3600	1.276	2	110.3600	1.627	2	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	H(CC3)	109.3320	0.000	1	109.3320	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	109.3980	0.000	1	109.3980	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	109.0260	0.043	3	109.0260	0.002	3	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	110.0220	0.000	1	110.0220	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.1230	0.000	1	108.1230	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.9980	0.000	1	107.9980	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CSiC)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CSiC)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	105.5160	0.000	1	105.5160	0.000	1	108.7907	2.289	13	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:2:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.4690	0.489	2	107.4690	0.239	2	107.4690	0.239	2	108.6381	1.909	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	H(CC3)	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	H(CC3)	105.7355	0.012	2	105.7355	0.000	2	105.7355	0.000	2	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[5]H)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CC[5]H)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	107.2870	0.000	1	107.2870	0.000	1	107.6080	0.206	2	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	107.9290	0.000	1	107.9290	0.000	1	107.6080	0.206	2	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.7390	0.000	1	108.7390	0.000	1	108.6237	0.448	18	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	108.9663	0.260	3	108.9663	0.068	3	108.6237	0.448	18	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	108.0137	0.588	3	108.0137	0.346	3	108.6237	0.448	18	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	108.4903	0.975	3	108.4903	0.950	3	108.6237	0.448	18	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	109.1022	0.564	5	109.1022	0.318	5	108.6237	0.448	18	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.1887	0.429	3	108.1887	0.184	3	108.6237	0.448	18	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	H(CCCN)	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	H(CCCN)	108.2200	0.000	1	108.2200	0.000	1	107.7060	0.528	2	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:3:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	107.1920	0.000	1	107.1920	0.000	1	107.7060	0.528	2	108.2219	1.083	24	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:4:1:	4:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	107.3994	5.717	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:4:1:	4:	C-4:C-3:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(N[5]C[5]2)(CCCH)2(H)	H(CC3)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(N[5]C[5]2)(CCCH)2(H)	H(CC3)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	107.3994	5.717	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:4:1:	4:	C-4:C-3:C-4:H-1:	S-3:C-4:C-4:H-1:	C-4:	C(CCHS)(CMnO)(CH3)(H)	C(SMnPt)(CCCH)(CH3)(H)	H(CC3)	C(CCHS)(CMnO)(CH3)(H)	C(SMnPt)(CCCH)(CH3)(H)	H(CC3)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	107.3994	5.717	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:4:1:	4:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	H(CC[6a]CC)	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	H(CC[6a]CC)	107.9600	0.000	1	107.9600	0.000	1	107.9600	0.000	1	107.3994	5.717	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	3:4:4:1:	4:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCCN)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCCN)	103.1900	0.000	1	103.1900	0.000	1	103.1900	0.000	1	107.3994	5.717	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	B-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6a]2H)(CN[6]H)(CH3)(H)	C(CBCH)(H)3	H(CBCC)	C(BC[6a]2H)(CN[6]H)(CH3)(H)	C(CBCH)(H)3	H(CBCC)	111.4750	0.000	1	111.4750	0.000	1	109.1760	10.571	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	B-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6a]3)(CC[6a]N)(CH3)(H)	C(CBCH)(H)3	H(CBCC)	C(BC[6a]3)(CC[6a]N)(CH3)(H)	C(CBCH)(H)3	H(CBCC)	106.8770	0.000	1	106.8770	0.000	1	109.1760	10.571	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C(CCCH)(F)3	H(CC3)	108.7960	0.000	1	108.7960	0.000	1	107.9091	1.492	7	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(CCCH)(F)3	H(CC3)	108.2880	0.860	4	108.2880	0.739	4	107.9091	1.492	7	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CC[6a]HO)(CN[5]O)(CF3)(H)	C(CCCH)(F)3	H(CC3)	106.7080	1.577	2	106.7080	2.486	2	107.9091	1.492	7	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(CSiC)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCN)(CSiC)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.1670	0.000	1	106.1670	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CRhO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CRhO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	114.7140	0.000	2	114.7140	0.000	2	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CSiC)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CSiC)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0330	0.212	2	108.0330	0.045	2	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHS)(CMnO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHS)(CMnO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0910	0.000	1	108.0910	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HH)(CC[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]HH)(CC[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.6140	0.000	1	106.6140	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HO)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]HO)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.8700	0.000	1	108.8700	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HH)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.7510	0.000	2	109.7510	0.000	2	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HO)(CC[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HO)(CC[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.8160	0.000	1	107.8160	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CC[5]H)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CC[5]H)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.2660	0.000	1	107.2660	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.4305	0.248	2	109.4305	0.062	2	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.7335	0.054	2	108.7335	0.003	2	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.9660	0.235	3	108.9660	0.055	3	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.0806	0.559	5	109.0806	0.312	5	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.1612	1.256	5	109.1612	1.577	5	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.1842	0.188	5	109.1842	0.035	5	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[6]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CN[6]O)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.3300	0.000	1	107.3300	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CSiC)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CSiC)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.1070	0.000	1	108.1070	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CMoO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CHHO)(CMoO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6320	0.000	1	107.6320	0.000	1	109.0066	2.819	37	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	C(CCCH)(H)2(I)	H(CC3)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	C(CCCH)(H)2(I)	H(CC3)	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(CCHN)(F)3	H(CCCN)	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(CCHN)(F)3	H(CCCN)	108.3010	0.000	1	108.3010	0.000	1	107.4875	1.324	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(CCHN)(F)3	H(CCCN)	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(CCHN)(F)3	H(CCCN)	106.6740	0.000	1	106.6740	0.000	1	107.4875	1.324	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NCrC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(NCrC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.7585	0.760	4	107.7585	0.577	4	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NCuC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(NCuC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.8830	0.733	3	107.8830	0.537	3	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NNiC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(NNiC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.9275	0.060	2	106.9275	0.004	2	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NRuC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(NRuC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	111.7310	0.000	1	111.7310	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.6884	0.166	5	108.6884	0.028	5	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.5880	0.000	1	107.5880	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	105.6420	0.000	1	105.6420	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.4010	0.000	1	107.4010	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.2010	0.000	1	107.2010	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.4740	0.440	2	107.4740	0.193	2	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HP)(NFeC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HP)(NFeC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5880	0.040	2	108.5880	0.002	2	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFeCH)(NFeN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CFeCH)(NFeN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.9660	0.673	2	107.9660	0.453	2	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NCoC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NCoC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.7310	0.000	1	108.7310	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NFeC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NFeC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.1567	1.764	6	106.1567	3.111	6	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NMnC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NMnC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	103.1022	8.111	4	103.1022	65.791	4	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NNiC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NNiC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.6940	0.588	2	109.6940	0.346	2	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NPtC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NPtC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.3320	0.000	1	109.3320	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.2790	0.000	1	108.2790	0.000	1	107.3669	9.029	40	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(OZn2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHH)(OZn2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	107.2745	0.052	2	107.2745	0.003	2	108.6464	1.880	15	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(OAl2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(OAl2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	109.1087	0.370	6	109.1087	0.137	6	108.6464	1.880	15	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(OCo2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(OCo2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	108.5810	0.198	2	108.5810	0.039	2	108.6464	1.880	15	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(OFe2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(OFe2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	108.5040	0.000	1	108.5040	0.000	1	108.6464	1.880	15	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(OMnH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(OMnH)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	107.3595	2.132	2	107.3595	4.545	2	108.6464	1.880	15	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(OAl2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHO)(OAl2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	107.9710	0.000	1	107.9710	0.000	1	108.6464	1.880	15	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(OAl2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[6]HH)(OAl2)(CH3)(H)	C(CCHO)(H)3	H(CCCO)	112.1390	0.000	1	112.1390	0.000	1	108.6464	1.880	15	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	107.3625	0.402	2	107.3625	0.162	2	107.9170	1.175	6	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHS)(SZnC)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CCHS)(SZnC)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	106.3430	0.000	1	106.3430	0.000	1	107.9170	1.175	6	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(SCuC)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CHHN)(SCuC)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	108.9915	0.163	2	108.9915	0.027	2	107.9170	1.175	6	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C-4:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CIrCH)(SIr2)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CIrCH)(SIr2)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	108.4510	0.000	1	108.4510	0.000	1	107.9170	1.175	6	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]H)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H)(CC[5]H)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	109.5870	0.421	2	109.5870	0.178	2	109.5870	0.178	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[3]H)(H)3	H(CC[6a]C[3]C)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[3]H)(H)3	H(CC[6a]C[3]C)	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	107.3242	0.326	6	107.3242	0.107	6	107.3242	0.107	6	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5,6]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	110.3170	0.000	1	110.3170	0.000	1	107.6004	3.472	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	109.6380	0.000	1	109.6380	0.000	1	107.6004	3.472	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4100	0.000	1	107.4100	0.000	1	107.6004	3.472	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.5530	0.000	1	108.5530	0.000	1	107.6004	3.472	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.1340	0.000	1	106.1340	0.000	1	107.6004	3.472	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.9250	0.000	1	107.9250	0.000	1	107.6004	3.472	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.4130	0.013	2	105.4130	0.000	2	107.6004	3.472	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	108.0430	0.000	1	108.0430	0.000	1	107.4950	0.601	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C(CC[5a]C[5]H)(H)3	H(CC[5a]C[5]C)	106.9470	0.000	1	106.9470	0.000	1	107.4950	0.601	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	107.1120	0.000	1	107.1120	0.000	1	106.5775	0.840	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	107.5480	0.000	1	107.5480	0.000	1	106.5775	0.840	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	105.8250	0.399	2	105.8250	0.159	2	106.5775	0.840	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	106.7780	0.000	1	106.7780	0.000	1	106.8555	0.133	10	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	106.7680	0.559	3	106.7680	0.312	3	106.8555	0.133	10	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	106.7707	0.448	3	106.7707	0.201	3	106.8555	0.133	10	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[5]H)(H)3	H(CC[6a]C[5]C)	107.0537	0.058	3	107.0537	0.003	3	106.8555	0.133	10	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.8440	0.000	1	107.8440	0.000	1	108.1785	0.877	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.3670	0.000	1	107.3670	0.000	1	108.1785	0.877	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCuC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(NCuC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	109.5270	0.000	1	109.5270	0.000	1	108.1785	0.877	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NPdC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(NPdC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.9760	0.000	1	107.9760	0.000	1	108.1785	0.877	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	C(C[5]C[5]2Fe)(N[5a]N[5a]2)(CH3)(H)	C(CN[5a]C[5]H)(H)3	H(CN[5a]C[5]C)	97.8580	0.000	1	97.8580	0.000	1	97.8580	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	110.0060	0.000	1	110.0060	0.000	1	108.7395	2.861	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	107.5500	2.300	2	107.5500	5.288	2	108.7395	2.861	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	108.4100	1.970	3	108.4100	3.881	3	108.7395	2.861	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	109.7900	0.105	2	109.7900	0.011	2	108.7395	2.861	8	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]O[6]H)(CC[6a]C[5])(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5920	0.000	1	107.5920	0.000	1	107.7485	1.519	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.4940	0.000	1	106.4940	0.000	1	107.7485	1.519	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[6a]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.4630	0.000	1	107.4630	0.000	1	107.7485	1.519	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CN[5]O)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.4450	0.000	1	109.4450	0.000	1	107.7485	1.519	4	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	C(CC[5a]C[6]H)(H)3	H(CC[5a]C[6]C)	C(C[6]C[6,6a]C[6]O)(C[5a]N[5a]S[5a])(CH3)(H)	C(CC[5a]C[6]H)(H)3	H(CC[5a]C[6]C)	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	C(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	108.1730	0.000	1	108.1730	0.000	1	107.3805	1.256	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]C[6]H)(H)3	H(CC[6a]C[6]C)	106.5880	0.000	1	106.5880	0.000	1	107.3805	1.256	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	105.6190	0.000	1	105.6190	0.000	1	107.2041	2.146	9	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(NCoC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(NCoC)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.3277	1.627	6	107.3277	2.648	6	107.2041	2.146	9	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Li)(NLiP)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2Li)(NLiP)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.3200	0.000	1	108.3200	0.000	1	107.2041	2.146	9	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Rh)(NSiSn)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2Rh)(NSiSn)(CH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.9320	0.000	1	106.9320	0.000	1	107.2041	2.146	9	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	H(CC[6]N[5]C)	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	H(CC[6]N[5]C)	108.0820	0.000	1	108.0820	0.000	1	107.5500	0.566	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	H(CC[6]N[5]C)	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	C(CC[6]N[5]H)(H)3	H(CC[6]N[5]C)	107.0180	0.000	1	107.0180	0.000	1	107.5500	0.566	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	C[6]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	C(CC[6]HP)(H)3	H(CC[6]CP)	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	C(CC[6]HP)(H)3	H(CC[6]CP)	106.3390	0.000	1	106.3390	0.000	1	106.3390	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	C(CN[3,5]C[6a]H)(H)3	H(CN[3,5]C[6a]C)	C(N[3,5]C[3,5]B[5]C[3])(C[6a]C[6a]2)(CH3)(H)	C(CN[3,5]C[6a]H)(H)3	H(CN[3,5]C[6a]C)	107.3980	0.000	1	107.3980	0.000	1	107.2880	0.024	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	N[3,5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CN[3,5]C[6a]H)(H)3	H(CN[3,5]C[6a]C)	C(N[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)(CH3)(H)	C(CN[3,5]C[6a]H)(H)3	H(CN[3,5]C[6a]C)	107.1780	0.000	1	107.1780	0.000	1	107.2880	0.024	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	N[5,5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	C(CN[5,5]C[6a]H)(H)3	H(CN[5,5]C[6a]C)	C(N[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)(H)	C(CN[5,5]C[6a]H)(H)3	H(CN[5,5]C[6a]C)	108.2160	0.000	1	108.2160	0.000	1	107.2475	1.876	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	N[5,5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	C(CN[5,5]C[6a]H)(H)3	H(CN[5,5]C[6a]C)	C(N[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(CH3)(H)	C(CN[5,5]C[6a]H)(H)3	H(CN[5,5]C[6a]C)	106.2790	0.000	1	106.2790	0.000	1	107.2475	1.876	2	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	N[5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	C(N[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[5]H)(H)3	H(CC[6a]N[5]C)	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	N[6]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:1:1:1:	4:	N[6]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	H(CC[6a]N[6]C)	107.5950	0.000	1	107.5950	0.000	1	107.5950	0.000	1	107.9355	4.576	184	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	108.5260	0.000	1	108.5260	0.000	1	108.0805	0.397	2	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CMoO)(CH3)(H)	C(CCCH)(OMo)(H)2	H(CC3)	C(CHHO)(CMoO)(CH3)(H)	C(CCCH)(OMo)(H)2	H(CC3)	107.6350	0.000	1	107.6350	0.000	1	108.0805	0.397	2	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4310	0.000	2	108.4310	0.000	2	108.4310	0.000	2	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,5]-4:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[5,5]C[6a]H)(OH)(H)2	H(CC[5,5]C[6a]C)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C(CC[5,5]C[6a]H)(OH)(H)2	H(CC[5,5]C[6a]C)	105.9040	0.000	1	105.9040	0.000	1	105.9040	0.000	1	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	C[5,6]-4:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C(CC[5,6]C[6a]H)(OH)(H)2	H(CC[5,6]C[6a]C)	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C(CC[5,6]C[6a]H)(OH)(H)2	H(CC[5,6]C[6a]C)	106.2470	0.000	1	106.2470	0.000	1	106.2470	0.000	1	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:B[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	C(CB[5]C[5]H)(OC)(H)2	H(CB[5]C[5]C)	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	C(CB[5]C[5]H)(OC)(H)2	H(CB[5]C[5]C)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]C[5]H)(OC)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]C[5]H)(OC)(H)2	H(CC[6a]C[5]C)	106.5525	0.083	2	106.5525	0.007	2	106.5525	0.007	2	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:1:1:	4:	S-4:C-3:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	C(CCHS)(SC)(H)2	H(CCCS)	C(SC[6a]OO)(CC[6a]O)(CHHS)(H)	C(CCHS)(SC)(H)2	H(CCCS)	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	107.6275	1.555	10	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:2:2:1:	4:	C-4:C-3:C-4:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	C(CCCH)(OC)2(H)	H(CC3)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	C(CCCH)(OC)2(H)	H(CC3)	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	C(CCCH)(NCC)(H)2	H(CC3)	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CHO)(H)2	H(CC[6a]CC)	106.2380	0.000	1	106.2380	0.000	1	106.7333	0.257	3	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CNO)(H)2	H(CC[6a]CC)	106.7100	0.000	1	106.7100	0.000	1	106.7333	0.257	3	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(COO)(H)2	H(CC[6a]CC)	107.2520	0.000	1	107.2520	0.000	1	106.7333	0.257	3	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	H(CC[6a]CC)	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCoC)(CH3)(H)	C(CCHN)(NCoC)(H)2	H(CCCN)	C(CHHN)(NCoC)(CH3)(H)	C(CCHN)(NCoC)(H)2	H(CCCN)	108.8440	0.000	1	108.8440	0.000	1	105.9832	23.600	13	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NFeC)(CH3)(H)	C(CCHN)(NFeC)(H)2	H(CCCN)	C(CHHN)(NFeC)(CH3)(H)	C(CCHN)(NFeC)(H)2	H(CCCN)	106.1712	1.782	6	106.1712	3.175	6	105.9832	23.600	13	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NMnC)(CH3)(H)	C(CCHN)(NMnC)(H)2	H(CCCN)	C(CHHN)(NMnC)(CH3)(H)	C(CCHN)(NMnC)(H)2	H(CCCN)	103.1223	8.126	4	103.1223	66.032	4	105.9832	23.600	13	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NNiC)(CH3)(H)	C(CCHN)(NNiC)(H)2	H(CCCN)	C(CHHN)(NNiC)(CH3)(H)	C(CCHN)(NNiC)(H)2	H(CCCN)	110.1040	0.000	1	110.1040	0.000	1	105.9832	23.600	13	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NPtC)(CH3)(H)	C(CCHN)(NPtC)(H)2	H(CCCN)	C(CHHN)(NPtC)(CH3)(H)	C(CCHN)(NPtC)(H)2	H(CCCN)	109.3170	0.000	1	109.3170	0.000	1	105.9832	23.600	13	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NAlC)(CC3)(H)	C(CCHN)(OAl2)(H)2	H(CCCN)	C(CHHO)(NAlC)(CC3)(H)	C(CCHN)(OAl2)(H)2	H(CCCN)	108.2020	0.000	1	108.2020	0.000	1	107.8260	0.117	3	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NFeC)(CC3)(H)	C(CCHN)(OFeH)(H)2	H(CCCN)	C(CHHO)(NFeC)(CC3)(H)	C(CCHN)(OFeH)(H)2	H(CCCN)	107.6380	0.150	2	107.6380	0.022	2	107.8260	0.117	3	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OMnH)(CH3)(H)	C(CCHO)(NMnC)(H)2	H(CCCO)	C(CHHN)(OMnH)(CH3)(H)	C(CCHO)(NMnC)(H)2	H(CCCO)	107.3545	2.088	2	107.3545	4.360	2	107.3545	4.360	2	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OAl2)(CH3)(H)	C(CCHO)(OAl2)(H)2	H(CCCO)	C(CHHO)(OAl2)(CH3)(H)	C(CCHO)(OAl2)(H)2	H(CCCO)	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[4]-4:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C(CC[6a]C[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]C)	C(C[4]C[4]N[4]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C(CC[6a]C[4]H)(C[6a]C[6a]2)(H)2	H(CC[6a]C[4]C)	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	108.3615	0.590	2	108.3615	0.349	2	108.3615	0.349	2	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C(CC[5a]C[5]H)(CC[6a]O)(H)2	H(CC[5a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C(CC[5a]C[5]H)(CC[6a]O)(H)2	H(CC[5a]C[5]C)	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C(CC[5a]C[5]H)(NOO)(H)2	H(CC[5a]C[5]C)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C(CC[5a]C[5]H)(NOO)(H)2	H(CC[5a]C[5]C)	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CHO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CHO)(H)2	H(CC[6a]C[5]C)	107.6190	0.000	1	107.6190	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	106.5155	0.418	2	106.5155	0.175	2	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	106.9270	0.071	2	106.9270	0.005	2	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	107.0120	0.000	1	107.0120	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	107.3590	0.000	1	107.3590	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	106.4820	0.000	1	106.4820	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	107.2850	0.385	2	107.2850	0.148	2	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	106.9950	0.000	1	106.9950	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	106.8400	0.205	2	106.8400	0.042	2	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	107.8967	1.446	6	107.8967	2.090	6	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[5a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[5a]O)(H)2	H(CC[6a]C[5]C)	106.9030	0.000	1	106.9030	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	107.2925	0.234	2	107.2925	0.055	2	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	108.2710	0.000	1	108.2710	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CCO)(H)2	H(CC[6a]C[5]C)	106.1090	0.000	1	106.1090	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CC[6a]O)(H)2	H(CC[6a]C[5]C)	106.7090	0.000	1	106.7090	0.000	1	107.2224	0.776	25	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.0590	0.724	2	107.0590	0.524	2	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.5770	0.307	3	106.5770	0.094	3	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.0620	0.333	3	106.0620	0.111	3	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.3390	0.000	1	107.3390	0.000	1	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	108.0870	0.000	1	108.0870	0.000	1	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.7343	0.632	3	106.7343	0.400	3	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.9970	0.129	3	106.9970	0.017	3	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.0595	0.146	2	107.0595	0.021	2	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.9424	1.419	5	107.9424	2.014	5	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.0098	0.734	5	107.0098	0.539	5	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.6230	0.000	1	106.6230	0.000	1	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	107.3800	0.000	1	107.3800	0.000	1	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NOO)(H)2	H(CC[6a]C[5]C)	106.6180	0.000	1	106.6180	0.000	1	107.0373	0.718	31	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[5]-4:N[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C(CC[5]N[5]H)(NOO)(H)2	H(CC[5]N[5]C)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C(CC[5]N[5]H)(NOO)(H)2	H(CC[5]N[5]C)	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CC[5a]O)(CHHN)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	109.6520	0.000	1	109.6520	0.000	1	109.5915	0.007	2	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CC[6a]O)(CHHN)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	109.5310	0.000	1	109.5310	0.000	1	109.5915	0.007	2	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	106.6035	0.060	2	106.6035	0.004	2	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(COO)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(COO)(H)2	H(CC[6a]C[6]C)	106.8010	0.000	1	106.8010	0.000	1	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[5a]O)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[5a]O)(H)2	H(CC[6a]C[6]C)	107.5810	0.000	1	107.5810	0.000	1	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	106.9710	0.000	1	106.9710	0.000	1	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(COO)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(COO)(H)2	H(CC[6a]C[6]C)	107.7470	0.000	1	107.7470	0.000	1	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCO)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCO)(H)2	H(CC[6a]C[6]C)	105.5070	0.000	1	105.5070	0.000	1	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	105.4250	0.000	1	105.4250	0.000	1	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CC[6a]O)(H)2	H(CC[6a]C[6]C)	107.0527	1.262	3	107.0527	1.592	3	106.7634	0.854	11	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	107.1890	0.000	1	107.1890	0.000	1	106.8822	0.305	9	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	106.6692	0.565	6	106.6692	0.320	6	106.8822	0.305	9	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[6]H)(NOO)(H)2	H(CC[6a]C[6]C)	107.3680	0.058	2	107.3680	0.003	2	106.8822	0.305	9	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	C(CC[6]HN)(CCH)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(NC[6a]C)(CCHH)(H)	C(CC[6]HN)(CCH)(H)2	H(CC[6]CN)	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	C[6]-4:N[5]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C(CC[6]N[5]H)(CCH)(H)2	H(CC[6]N[5]C)	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	C(CC[6]N[5]H)(CCH)(H)2	H(CC[6]N[5]C)	106.5790	0.172	3	106.5790	0.029	3	106.5790	0.029	3	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:1:1:	4:	P-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	H(CC[6a]CP)	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	107.0222	3.398	113	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:3:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]C[5]H)(COO)2(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]C[5]H)(COO)2(H)	H(CC[6a]C[5]C)	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:4:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	H(CC3)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	H(CC3)	109.2601	0.230	7	109.2601	0.053	7	109.2601	0.053	7	108.2950	1.300	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:4:1:	4:	C-4:C[6a]-3:C[6]-4:H-1:	C-4:C[6a]-3:C[6]-4:H-1:	C-4:	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C(CC[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]2H)(H)	H(CC[6a]C[6]C)	106.6720	0.047	2	106.6720	0.002	2	106.6720	0.002	2	108.2950	1.300	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:4:1:	4:	C-4:N-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(NSnC)(CH3)(H)	H(CCCN)	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(NSnC)(CH3)(H)	H(CCCN)	108.7177	0.204	4	108.7177	0.042	4	108.7177	0.042	4	108.2950	1.300	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:4:1:	4:	C-4:S-3:C-4:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(SFe2)(CH3)(H)	H(CCCS)	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(SFe2)(CH3)(H)	H(CCCS)	107.3575	0.401	2	107.3575	0.161	2	107.3575	0.161	2	108.2950	1.300	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:3:4:1:	4:	C[6,6]-4:C[6a]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C-4:H-1:	C-4:	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]C)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	H(CC[6,6]C[6a]C)	106.6320	0.631	2	106.6320	0.398	2	106.6320	0.398	2	108.2950	1.300	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CRhO)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CRhO)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	114.7900	0.000	2	114.7900	0.000	2	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(CN[5]HH)(CCCH)(H)2	H(CC3)	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(CN[5]HH)(CCCH)(H)2	H(CC3)	105.8085	0.056	2	105.8085	0.003	2	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.7890	0.000	1	109.7890	0.000	1	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.6200	0.000	1	108.6200	0.000	1	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.2780	0.000	1	108.2780	0.000	1	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.1290	0.000	1	109.1290	0.000	1	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.2840	0.000	1	108.2840	0.000	1	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.3653	1.027	3	108.3653	1.054	3	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.7300	0.000	1	109.7300	0.000	1	109.2402	7.695	13	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(CC3)	C(CC[3]HH)(CC[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(CC3)	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHfC)(CC3)(H)	C(C[5]C[5]2Hf)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CHfC)(CC3)(H)	C(C[5]C[5]2Hf)(CCCH)(H)2	H(CC3)	104.5370	0.000	1	104.5370	0.000	1	104.5370	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN[5]O)(CH3)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CN[5]O)(CH3)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(CC3)	110.2900	0.000	2	110.2900	0.000	2	110.2900	0.000	2	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C-3:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	106.1770	0.000	1	106.1770	0.000	1	106.1770	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CH3)(H)2	H(CC[6a]CC)	107.9450	0.000	1	107.9450	0.000	1	108.0115	0.009	2	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]CH)(CCHH)(H)2	H(CC[6a]CC)	108.0780	0.000	1	108.0780	0.000	1	108.0115	0.009	2	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCrC)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCrC)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.5557	0.892	3	107.5557	0.796	3	107.6359	0.443	10	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCrC)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCrC)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CCCN)	108.1440	0.000	1	108.1440	0.000	1	107.6359	0.443	10	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.6800	0.000	1	108.6800	0.000	1	107.6359	0.443	10	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCuC)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(NCuC)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.4980	0.004	2	107.4980	0.000	2	107.6359	0.443	10	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NNiC)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(NNiC)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	106.9660	0.010	2	106.9660	0.000	2	107.6359	0.443	10	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NRuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(NRuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.9400	0.000	1	107.9400	0.000	1	107.6359	0.443	10	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	H(CCCN)	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	H(CCCN)	107.5430	0.000	1	107.5430	0.000	1	107.5430	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	H(CCCN)	105.6160	0.000	1	105.6160	0.000	1	105.6160	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:N-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NNiC)(CH3)(H)	C(NNiCH)(CCHN)(H)2	H(CCCN)	C(CHHN)(NNiC)(CH3)(H)	C(NNiCH)(CCHN)(H)2	H(CCCN)	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:O-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OZn2)(CH3)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(CCHH)(OZn2)(CH3)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	107.2155	0.105	2	107.2155	0.011	2	107.2155	0.011	2	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OAl2)(CH3)(H)	C(NAlCC)(CCHO)(H)2	H(CCCO)	C(CHHN)(OAl2)(CH3)(H)	C(NAlCC)(CCHO)(H)2	H(CCCO)	109.7597	1.296	6	109.7597	1.678	6	109.1515	1.354	11	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCo2)(CH3)(H)	C(NCoCC)(CCHO)(H)2	H(CCCO)	C(CHHN)(OCo2)(CH3)(H)	C(NCoCC)(CCHO)(H)2	H(CCCO)	108.6240	0.170	2	108.6240	0.029	2	109.1515	1.354	11	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCuH)(CC3)(H)	C(NCuCC)(CCHO)(H)2	H(CCCO)	C(CHHN)(OCuH)(CC3)(H)	C(NCuCC)(CCHO)(H)2	H(CCCO)	108.1930	0.218	2	108.1930	0.047	2	109.1515	1.354	11	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFe2)(CH3)(H)	C(NFeCC)(CCHO)(H)2	H(CCCO)	C(CHHN)(OFe2)(CH3)(H)	C(NFeCC)(CCHO)(H)2	H(CCCO)	108.4750	0.000	1	108.4750	0.000	1	109.1515	1.354	11	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:O-3:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(OAl2)(CH3)(H)	C(N[6]C[6]2Al)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(OAl2)(CH3)(H)	C(N[6]C[6]2Al)(CCHO)(H)2	H(CCCO)	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C-4:S-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(SCuC)(CH3)(H)	C(NCuCC)(CCHS)(H)2	H(CCCS)	C(CHHN)(SCuC)(CH3)(H)	C(NCuCC)(CCHS)(H)2	H(CCCS)	109.0465	0.139	2	109.0465	0.019	2	109.0465	0.019	2	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[4]-4:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[4]H)(CH3)(H)2	H(CC[6a]C[4]C)	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[4]H)(CH3)(H)2	H(CC[6a]C[4]C)	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C(SiC[5,6,6]C[6a]2)(CC[5,6,6]C[6a]H)(H)2	H(CC[5,6,6]C[6a]C)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C(SiC[5,6,6]C[6a]2)(CC[5,6,6]C[6a]H)(H)2	H(CC[5,6,6]C[6a]C)	107.3070	0.000	1	107.3070	0.000	1	107.3070	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	H(CC[5]2C)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	H(CC[5]2C)	107.4150	0.354	4	107.4150	0.125	4	107.4150	0.125	4	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CHHO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C(CC[6a]C[5]H)(CHHO)(H)2	H(CC[6a]C[5]C)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[5]HH)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[5]HH)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Fe)(H)2	H(CC[6a]C[5]C)	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NO3)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C(CC[6a]C[5]H)(NO3)(H)2	H(CC[6a]C[5]C)	106.0190	0.000	1	106.0190	0.000	1	106.0190	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	H(CC[6a]C[5]C)	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	H(CC[5]CP)	107.6370	0.493	4	107.6370	0.243	4	108.4020	0.875	9	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[5]-4:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	H(CC[5]CP)	109.0140	0.718	5	109.0140	0.515	5	108.4020	0.875	9	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6]CC)	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CH3)(H)2	H(CC[6a]C[6]C)	105.2780	0.000	1	105.2780	0.000	1	107.1683	2.250	4	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCCH)(H)2	H(CC[6a]C[6]C)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]C[6]H)(CCCH)(H)2	H(CC[6a]C[6]C)	107.7983	0.996	3	107.7983	0.993	3	107.1683	2.250	4	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	N[5]-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C(CN[5]CH)(CCHH)(H)2	H(CN[5]CC)	109.5270	1.085	2	109.5270	1.177	2	109.5270	1.177	2	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	N[6]-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(CC[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]N[6]C)	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(CC[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]N[6]C)	107.1127	0.361	3	107.1127	0.130	3	107.1127	0.130	3	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	P-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(CCHO)(CCHP)(H)2	H(CCCP)	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(CCHO)(CCHP)(H)2	H(CCCP)	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	P-4:C[5]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	C(CC[5]HP)(CH3)(H)2	H(CC[5]CP)	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	C(CC[5]HP)(CH3)(H)2	H(CC[5]CP)	109.7340	0.000	1	109.7340	0.000	1	108.9307	0.690	3	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	P-4:C[5]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[5]CP)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	H(CC[5]CP)	108.5290	0.642	2	108.5290	0.412	2	108.9307	0.690	3	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	P-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	H(CC[6]CP)	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	H(CC[6]CP)	110.3180	0.000	2	110.3180	0.000	2	108.2498	8.667	4	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	P-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	H(CC[6]CP)	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	H(CC[6]CP)	106.1815	2.982	2	106.1815	8.892	2	108.2498	8.667	4	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:1:1:	4:	S-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.7445	0.972	2	107.7445	0.945	2	107.7445	0.945	2	108.2283	3.039	89	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:2:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CSiC)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)(CSiC)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	108.0195	0.149	2	108.0195	0.022	2	108.3603	0.360	3	107.2133	4.089	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:2:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	109.0420	0.000	1	109.0420	0.000	1	108.3603	0.360	3	107.2133	4.089	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CN[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CN[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(CC3)	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	107.2133	4.089	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:2:1:	4:	C-4:C-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CC[5]O)(CH3)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(CC3)	C(CC[6]HO)(CC[5]O)(CH3)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(CC3)	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	107.2133	4.089	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:2:1:	4:	C[3]-4:C-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	C(CC[3]CH)(CC[5]CH)(OC)(H)	H(CC[3]CC)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	C(CC[3]CH)(CC[5]CH)(OC)(H)	H(CC[3]CC)	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	107.2133	4.089	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]C[5]H)(CH3)(OC)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C(CC[6a]C[5]H)(CH3)(OC)(H)	H(CC[6a]C[5]C)	103.9050	0.000	1	103.9050	0.000	1	103.9050	0.000	1	107.2133	4.089	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:3:1:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(CCCH)(CF3)(NHS)(H)	H(CC3)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(CCCH)(CF3)(NHS)(H)	H(CC3)	109.5410	0.000	1	109.5410	0.000	1	109.5410	0.000	1	107.1396	2.518	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:3:1:	4:	C-4:S-3:C-4:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(SZnC)(CH3)(H)	C(CCHH)(CCHS)(SZnC)(H)	H(CCCS)	C(CCHS)(SZnC)(CH3)(H)	C(CCHH)(CCHS)(SZnC)(H)	H(CCCS)	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	107.1396	2.518	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:3:1:	4:	C[3]-4:C[6a]-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]C[3]H)(CH3)(NCC)(H)	H(CC[6a]C[3]C)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C(CC[6a]C[3]H)(CH3)(NCC)(H)	H(CC[6a]C[3]C)	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	107.1396	2.518	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]C[6]H)(CH3)(CCN)(H)	H(CC[6a]C[6]C)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C(CC[6a]C[6]H)(CH3)(CCN)(H)	H(CC[6a]C[6]C)	105.2320	0.000	1	105.2320	0.000	1	105.2320	0.000	1	107.1396	2.518	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:3:1:	4:	C[6]-4:N-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	H(CC[6]CN)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	H(CC[6]CN)	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.1396	2.518	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:3:3:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CSiC)(CH3)(H)	C(CCCH)(CH3)(CNO)(NCH)	H(CC3)	C(CCCN)(CSiC)(CH3)(H)	C(CCCH)(CH3)(CNO)(NCH)	H(CC3)	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:1:	4:	C-4:S-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	107.8867	0.595	8	107.8867	0.353	8	107.7249	0.446	10	107.4613	0.587	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:1:	4:	C-4:S-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	107.0775	0.704	2	107.0775	0.495	2	107.7249	0.446	10	107.4613	0.587	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:N[5a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C(CN[5a]C[5]H)(CH3)2(H)	H(CN[5a]C[5]C)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C(CN[5a]C[5]H)(CH3)2(H)	H(CN[5a]C[5]C)	106.5000	0.000	1	106.5000	0.000	1	106.5000	0.000	1	107.4613	0.587	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:1:	4:	C[6]-4:B[5]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	H(CB[5]C[6]C)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	H(CB[5]C[6]C)	106.6240	0.000	2	106.6240	0.000	2	106.6240	0.000	2	107.4613	0.587	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:4:	4:	C-4:C-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5]HH)(CHfC)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	C(CC[5]HH)(CHfC)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	104.5680	0.000	1	104.5680	0.000	1	104.5680	0.000	1	106.9540	3.243	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:4:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(NAlC)(CC3)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHO)(NAlC)(CC3)(H)	C(CCHN)(CH3)3	H(CCCN)	108.0390	0.000	1	108.0390	0.000	1	107.7610	0.084	3	106.9540	3.243	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:4:	4:	C-4:N-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(NFeC)(CC3)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHO)(NFeC)(CC3)(H)	C(CCHN)(CH3)3	H(CCCN)	107.6220	0.226	2	107.6220	0.051	2	107.7610	0.084	3	106.9540	3.243	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:4:	4:	C-4:O-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(OCuH)(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CHHN)(OCuH)(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	108.1835	0.257	2	108.1835	0.066	2	108.0527	0.084	3	106.9540	3.243	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:4:	4:	C-4:O-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(CCHO)(CH3)3	H(CCCO)	107.7910	0.000	1	107.7910	0.000	1	108.0527	0.084	3	106.9540	3.243	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:3:4:1:	4:4:4:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C(CC[5,5]N[5]H)(CH3)3	H(CC[5,5]N[5]C)	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C(CC[5,5]N[5]H)(CH3)3	H(CC[5,5]N[5]C)	103.6230	0.000	1	103.6230	0.000	1	103.6230	0.000	1	106.9540	3.243	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:2:2:4:	4:	C-4:C-4:H-1:H-1:	Se-2:Se-2:Se-2:C-4:	C-4:	C(CCHH)(CSe3)(H)2	C(SeC[6a])3(CCHH)	H(CCCH)	C(CCHH)(CSe3)(H)2	C(SeC[6a])3(CCHH)	H(CCCH)	108.6405	0.091	2	108.6405	0.008	2	108.6405	0.008	2	108.6405	0.008	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:2:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:O-2:C-4:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(OC[6a])2(CCHH)(H)	H(CCCH)	C(CCHH)(CHOO)(H)2	C(OC[6a])2(CCHH)(H)	H(CCCH)	108.9670	0.013	2	108.9670	0.000	2	108.9670	0.000	2	108.9670	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:2:4:4:	4:	C-4:C-4:H-1:H-1:	O-2:O-2:C-4:C-4:	C-4:	C(CCCH)(CCOO)(H)2	C(OC[6a])2(CCHH)(CH3)	H(CCCH)	C(CCCH)(CCOO)(H)2	C(OC[6a])2(CCHH)(CH3)	H(CCCH)	108.5265	0.013	2	108.5265	0.000	2	108.5265	0.000	2	108.5265	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	B-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CHHS)(H)2	C(SC[6a])(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CHHS)(H)2	C(SC[6a])(CBHH)(H)2	H(CBCH)	108.7010	0.033	2	108.7010	0.001	2	108.7010	0.001	2	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[5])(CCHH)(H)2	H(CCCH)	109.1400	0.038	2	109.1400	0.001	2	108.9008	0.078	4	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-2:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5])(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5])(CCHH)(H)2	H(CCCH)	108.6615	0.052	2	108.6615	0.003	2	108.9008	0.078	4	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[5])(CCHH)(H)2	H(CCCH)	108.8462	0.110	6	108.8462	0.012	6	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	109.1218	0.207	6	109.1218	0.043	6	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	H(CCCH)	108.8353	0.411	6	108.8353	0.169	6	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NP[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NP[6])(CCHH)(H)2	H(CCCH)	108.6215	0.140	4	108.6215	0.020	4	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CC[6]FF)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	C(CC[6]FF)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	108.6850	0.000	1	108.6850	0.000	1	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[5])(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[5])(CCHH)(H)2	H(CCCH)	109.0195	1.293	2	109.0195	1.673	2	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	109.0325	0.013	2	109.0325	0.000	2	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NC[5])(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NC[5])(CCHH)(H)2	H(CCCH)	108.6380	0.000	1	108.6380	0.000	1	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	109.1160	0.020	2	109.1160	0.000	2	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6])(CCHH)(H)2	H(CCCH)	109.0048	0.025	4	109.0048	0.001	4	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a])(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a])(CCHH)(H)2	H(CCCH)	109.2707	0.198	4	109.2707	0.039	4	108.9491	0.119	38	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CBrHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CBrHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	108.6590	0.057	2	108.6590	0.003	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CBrHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CBrHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.0329	0.377	10	109.0329	0.142	10	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CCCH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.6542	0.404	20	108.6542	0.163	20	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCCS)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CCCS)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	106.8775	1.761	2	106.8775	3.103	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OB[3x3,3x5,12x6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OB[3x3,3x5,12x6])(CCHH)(H)2	H(CCCH)	109.1580	0.051	2	109.1580	0.003	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	109.2690	0.049	2	109.2690	0.002	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OB[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OB[6])(CCHH)(H)2	H(CCCH)	108.3312	1.296	8	108.3312	1.681	8	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OC[4])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OC[4])(CCHH)(H)2	H(CCCH)	108.5795	0.011	2	108.5795	0.000	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OC[4a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OC[4a])(CCHH)(H)2	H(CCCH)	108.7315	0.008	2	108.7315	0.000	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	108.8848	0.529	30	108.8848	0.280	30	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	H(CCCH)	108.3222	2.060	37	108.3222	4.243	37	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	108.8490	0.653	103	108.8490	0.427	103	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.9203	0.590	1620	108.9203	0.349	1620	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(ON[5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(ON[5])(CCHH)(H)2	H(CCCH)	108.9145	0.200	6	108.9145	0.040	6	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(ON[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(ON[6])(CCHH)(H)2	H(CCCH)	108.3293	0.070	4	108.3293	0.005	4	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(ON[6a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(ON[6a])(CCHH)(H)2	H(CCCH)	108.6135	0.021	2	108.6135	0.000	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OP[4,5,5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OP[4,5,5])(CCHH)(H)2	H(CCCH)	108.7690	0.088	2	108.7690	0.008	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OP[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OP[6])(CCHH)(H)2	H(CCCH)	108.7423	1.445	11	108.7423	2.087	11	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	108.0150	0.453	2	108.0150	0.205	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.2020	1.143	4	108.2020	1.305	4	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(OP[5])(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHO)(H)2	C(OP[5])(CCHH)(H)2	H(CCCH)	108.1325	0.043	2	108.1325	0.002	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHS)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CCHS)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.7670	0.014	2	108.7670	0.000	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.8890	0.259	4	108.8890	0.067	4	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.9343	0.235	9	108.9343	0.055	9	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.9128	0.414	24	108.9128	0.171	24	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	108.7722	0.237	6	108.7722	0.056	6	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.6845	0.046	2	108.6845	0.002	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.0681	0.485	9	109.0681	0.235	9	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CClCC)(CHHO)(H)2	C(OC[4])(CCHH)(H)2	H(CCCH)	C(CClCC)(CHHO)(H)2	C(OC[4])(CCHH)(H)2	H(CCCH)	108.5467	0.037	3	108.5467	0.001	3	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CClHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CClHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.7324	0.265	17	108.7324	0.070	17	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	H(CCCH)	108.6950	0.000	1	108.6950	0.000	1	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.1669	0.860	18	109.1669	0.740	18	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CC3)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)(CC3)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.0402	0.381	9	108.0402	0.146	9	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	108.9305	0.059	2	108.9305	0.003	2	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(OC[4])(CCHH)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(OC[4])(CCHH)(H)2	H(CCCH)	109.0823	0.362	6	109.0823	0.131	6	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	108.9950	0.142	4	108.9950	0.020	4	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	107.8722	0.665	6	107.8722	0.442	6	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.0478	0.715	438	109.0478	0.511	438	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(OC[5a])(CCHH)(H)2	H(CCCH)	C(CHHO)2(H)2	C(OC[5a])(CCHH)(H)2	H(CCCH)	108.7697	0.076	3	108.7697	0.006	3	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CHHO)2(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	108.7170	0.568	18	108.7170	0.323	18	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.8120	1.338	155	108.8120	1.791	155	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(OP[6])(CCHH)(H)2	H(CCCH)	C(CHHO)2(H)2	C(OP[6])(CCHH)(H)2	H(CCCH)	107.7490	0.139	8	107.7490	0.019	8	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CN[5,5]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.3410	0.000	1	109.3410	0.000	1	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	H(CCCH)	109.1788	0.115	4	109.1788	0.013	4	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	H(CCCH)	110.1050	0.000	1	110.1050	0.000	1	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.7964	0.768	5	108.7964	0.591	5	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.4543	0.304	11	109.4543	0.092	11	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	109.0141	0.695	36	109.0141	0.484	36	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	H(CCCH)	108.9725	0.528	6	108.9725	0.279	6	108.9084	0.537	2681	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHS)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	C(CCCH)(CHHS)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	109.1030	0.047	2	109.1030	0.002	2	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCFF)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CCFF)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	109.1377	0.710	6	109.1377	0.504	6	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[3])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[3])(CCHH)(H)2	H(CCCH)	108.5347	0.021	3	108.5347	0.000	3	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	108.8793	0.564	99	108.8793	0.318	99	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	109.0168	0.961	72	109.0168	0.924	72	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	109.1197	0.487	3	109.1197	0.238	3	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.1898	0.388	54	109.1898	0.150	54	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.0215	0.064	2	109.0215	0.004	2	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CC[6]HN)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CC[6]HN)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	108.5165	0.069	4	108.5165	0.005	4	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	108.7280	0.018	2	108.7280	0.000	2	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	C(CHHO)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	107.8900	0.434	2	107.8900	0.188	2	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	109.0375	0.073	4	109.0375	0.005	4	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.5730	0.034	2	109.5730	0.001	2	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	108.9900	0.461	56	108.9900	0.213	56	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	109.2177	0.373	4	109.2177	0.139	4	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	109.2415	0.346	19	109.2415	0.120	19	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.2420	0.243	25	109.2420	0.059	25	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[5,6])(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[5,6])(CCHH)(H)2	H(CCCH)	109.7505	1.654	2	109.7505	2.735	2	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[5])(CCHH)(H)2	H(CCCH)	108.7420	0.520	49	108.7420	0.270	49	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[5a])(CCHH)(H)2	H(CCCH)	108.5531	0.730	25	108.5531	0.533	25	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6])(CCHH)(H)2	H(CCCH)	108.3732	3.778	6	108.3732	14.275	6	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	108.9760	0.041	4	108.9760	0.002	4	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CN[5]CH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.1870	0.011	2	109.1870	0.000	2	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	108.8465	0.118	4	108.8465	0.014	4	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	H(CCCH)	109.0583	0.497	4	109.0583	0.247	4	108.9581	0.543	455	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(SeC[6a])(CCHH)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(SeC[6a])(CCHH)(H)2	H(CCCH)	108.9358	0.114	6	108.9358	0.013	6	109.0086	0.330	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(CH3)(H)2	C(SeC[6])(CCHH)(H)2	H(CCCH)	C(CSeHH)(CH3)(H)2	C(SeC[6])(CCHH)(H)2	H(CCCH)	108.1370	0.054	2	108.1370	0.003	2	109.0086	0.330	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHN)(H)2	C(SeC[6a])(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHN)(H)2	C(SeC[6a])(CCHH)(H)2	H(CCCH)	108.8745	0.071	2	108.8745	0.005	2	109.0086	0.330	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(SeC[5])(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(SeC[5])(CCHH)(H)2	H(CCCH)	109.0095	0.494	4	109.0095	0.244	4	109.0086	0.330	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeC[5])(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeC[5])(CCHH)(H)2	H(CCCH)	109.2122	0.698	12	109.2122	0.487	12	109.0086	0.330	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:O-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)(O)	C(OC[6])(CCHO)(H)2	H(CCCO)	C(CHHO)2(H)(O)	C(OC[6])(CCHO)(H)2	H(CCCO)	106.5470	0.000	1	106.5470	0.000	1	108.0040	5.605	6	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:C-4:H-1:O-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)(O)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CHHO)2(H)(O)	C(OC[6a])(CCHO)(H)2	H(CCCO)	108.2954	2.524	5	108.2954	6.369	5	108.0040	5.605	6	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NC3)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NC3)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	108.5790	0.133	3	108.5790	0.018	3	109.3043	0.349	225	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NC3)(H)2	C(OP[4])(CHHN)(H)2	H(CCHN)	C(CHHO)(NC3)(H)2	C(OP[4])(CHHN)(H)2	H(CCHN)	108.1085	0.080	4	108.1085	0.006	4	109.3043	0.349	225	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCCH)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCCH)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.3088	0.586	189	109.3088	0.343	189	109.3043	0.349	225	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.4696	0.359	13	109.4696	0.129	13	109.3043	0.349	225	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NH3)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(CHHO)(NH3)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	109.5511	0.474	16	109.5511	0.225	16	109.3043	0.349	225	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NCCH)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(CHHS)(NCCH)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.0910	0.079	6	109.0910	0.006	6	109.4647	0.161	12	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(SC[5a])(CHHN)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(SC[5a])(CHHN)(H)2	H(CCHN)	109.8385	0.111	6	109.8385	0.012	6	109.4647	0.161	12	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CSeHH)(NMnCH)(H)2	C(SeC[6a])(CHHN)(H)2	H(CCHN)	C(CSeHH)(NMnCH)(H)2	C(SeC[6a])(CHHN)(H)2	H(CCHN)	108.4945	0.045	2	108.4945	0.002	2	108.4945	0.002	2	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:P-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(PBCC)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	C(CHHO)(PBCC)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	107.6197	0.281	3	107.6197	0.079	3	107.6197	0.079	3	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:S-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(SO3)(H)2	C(SC[6])(CHHS)(H)2	H(CCHS)	C(CHHS)(SO3)(H)2	C(SC[6])(CHHS)(H)2	H(CCHS)	109.7525	0.029	2	109.7525	0.001	2	109.7525	0.001	2	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:Si-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(SiC3)(H)2	C(OC[6a])(CSiHH)(H)2	H(CSiCH)	C(CHHO)(SiC3)(H)2	C(OC[6a])(CSiHH)(H)2	H(CSiCH)	108.4883	0.455	13	108.4883	0.207	13	108.4883	0.207	13	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:Si-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(SiC3)(H)2	C(SC[5,6])(CSiHH)(H)2	H(CSiCH)	C(CHHS)(SiC3)(H)2	C(SC[5,6])(CSiHH)(H)2	H(CSiCH)	108.6400	0.031	2	108.6400	0.001	2	108.7310	0.130	5	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	C-4:Si-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(SiO3)(H)2	C(SC[5a])(CSiHH)(H)2	H(CSiCH)	C(CHHS)(SiO3)(H)2	C(SC[5a])(CSiHH)(H)2	H(CSiCH)	108.7917	0.496	3	108.7917	0.246	3	108.7310	0.130	5	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NReCC)(CHHO)(H)2	C(OC[5])(CHHN)(H)2	H(CCHN)	C(NReCC)(CHHO)(H)2	C(OC[5])(CHHN)(H)2	H(CCHN)	108.3510	0.000	1	108.3510	0.000	1	108.2158	0.085	5	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NReCC)(CHHO)(H)2	C(OC[6])(CHHN)(H)2	H(CCHN)	C(NReCC)(CHHO)(H)2	C(OC[6])(CHHN)(H)2	H(CCHN)	107.9020	0.041	2	107.9020	0.002	2	108.2158	0.085	5	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(NZnHH)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	C(NZnHH)(CHHO)(H)2	C(OC[6a])(CHHN)(H)2	H(CCHN)	108.4620	0.040	2	108.4620	0.002	2	108.2158	0.085	5	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(NCoCH)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(NCoCH)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.6370	0.018	2	109.6370	0.000	2	109.1958	0.217	11	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(NFeCH)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(NFeCH)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	109.5115	0.035	4	109.5115	0.001	4	109.1958	0.217	11	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHS)(H)2	C(SC[6a])(CHHN)(H)2	H(CCHN)	108.7668	0.339	5	108.7668	0.115	5	109.1958	0.217	11	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	108.8017	0.150	4	108.8017	0.023	4	108.7614	0.377	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	108.6093	0.099	3	108.6093	0.010	3	108.7614	0.377	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[6])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[6])(CHHP)(H)2	H(CCHP)	108.4335	0.588	4	108.4335	0.346	4	108.7614	0.377	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	109.2315	0.463	11	109.2315	0.215	11	108.7614	0.377	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	H(CCHP)	107.8702	0.131	4	107.8702	0.017	4	108.7614	0.377	26	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	108.1295	0.033	2	108.1295	0.001	2	108.7580	0.310	16	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	108.7233	0.037	4	108.7233	0.001	4	108.7580	0.310	16	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	H(CCHP)	108.8976	0.637	10	108.8976	0.405	10	108.7580	0.310	16	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	P-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CSeHH)(H)2	C(SeC[6a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CSeHH)(H)2	C(SeC[6a])(CHHP)(H)2	H(CCHP)	108.9615	0.047	2	108.9615	0.002	2	108.9615	0.002	2	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a])(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a])(CHHS)(H)2	H(CCHS)	111.5540	1.006	2	111.5540	1.011	2	111.5540	1.011	2	108.9384	0.537	3536	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:2:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CC)(H)	H(CCCH)	106.1005	4.139	2	106.1005	17.129	2	106.1005	17.129	2	106.1005	17.129	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(CC3)(H)2	C(ON[5])(CCHH)(CNO)(H)	H(CCCH)	C(CCHO)(CC3)(H)2	C(ON[5])(CCHH)(CNO)(H)	H(CCCH)	108.2065	0.066	2	108.2065	0.004	2	108.4218	0.668	6	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)(CCH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)(CCH)(H)	H(CCCH)	108.1120	1.581	2	108.1120	2.500	2	108.4218	0.668	6	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(COO)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(COO)(H)	H(CCCH)	108.9470	0.035	2	108.9470	0.001	2	108.4218	0.668	6	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(SC[5a])(CCHH)(CCC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(SC[5a])(CCHH)(CCC)(H)	H(CCCH)	107.8460	0.006	2	107.8460	0.000	2	108.5555	0.316	6	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(SC[5])(CCHH)(COO)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(SC[5])(CCHH)(COO)(H)	H(CCCH)	108.7765	0.006	2	108.7765	0.000	2	108.5555	0.316	6	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(SC[5a])(CCHH)(COO)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(SC[5a])(CCHH)(COO)(H)	H(CCCH)	109.0440	0.004	2	109.0440	0.000	2	108.5555	0.316	6	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:O-4:H-1:H-1:	C-2:C-4:N-3:H-1:	C-4:	C(CCHN)(ONi3)(H)2	C(CC[6])(CHHO)(NNiC)(H)	H(CCHO)	C(CCHN)(ONi3)(H)2	C(CC[6])(CHHO)(NNiC)(H)	H(CCHO)	109.1450	0.045	2	109.1450	0.002	2	109.2660	0.021	4	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:3:1:	4:	C-4:O-4:H-1:H-1:	C-2:C-4:N-3:H-1:	C-4:	C(CCHN)(ONi3)(H)2	C(CC[6a])(CHHO)(NNiC)(H)	H(CCHO)	C(CCHN)(ONi3)(H)2	C(CC[6a])(CHHO)(NNiC)(H)	H(CCHO)	109.3870	0.040	2	109.3870	0.002	2	109.2660	0.021	4	108.6830	0.457	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(OC[6])(CCCO)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(OC[6])(CCCO)(CCHH)(H)	H(CCCH)	108.8265	0.037	2	108.8265	0.001	2	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CCHO)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CCHO)(H)	H(CCCH)	109.0395	0.090	2	109.0395	0.008	2	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	108.3045	0.196	4	108.3045	0.038	4	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)2(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)2(H)	H(CCCH)	108.3845	0.359	15	108.3845	0.129	15	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(OP[6])(CCHH)(CHHO)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(OP[6])(CCHH)(CHHO)(H)	H(CCCH)	108.2035	2.405	2	108.2035	5.783	2	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(OC[5])(CCHH)(CCHO)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(OC[5])(CCHH)(CCHO)(H)	H(CCCH)	108.7615	1.986	2	108.7615	3.945	2	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)2(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)2(H)	H(CCCH)	108.9245	0.231	26	108.9245	0.053	26	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	108.8181	2.291	20	108.8181	5.250	20	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(OC[6])(CCHH)(CH3)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(OC[6])(CCHH)(CH3)(H)	H(CCCH)	108.7654	0.148	11	108.7654	0.022	11	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(OP[5])(CCHH)(CH3)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(OP[5])(CCHH)(CH3)(H)	H(CCCH)	108.1900	0.000	1	108.1900	0.000	1	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)2(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	C(CCHO)2(H)2	C(OC[6a])(CCHH)(CH3)(H)	H(CCCH)	107.2818	0.034	4	107.2818	0.001	4	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)2(H)2	C(OP[5])(CCHH)(CH3)(H)	H(CCCH)	C(CCHO)2(H)2	C(OP[5])(CCHH)(CH3)(H)	H(CCCH)	107.9153	0.014	3	107.9153	0.000	3	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(OC[6])(CCCO)(CCHH)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(OC[6])(CCCO)(CCHH)(H)	H(CCCH)	108.5695	0.016	4	108.5695	0.000	4	108.6334	1.340	96	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(CFFH)(H)2	C(SC[6a])(CCHH)2(H)	H(CCCH)	C(CCHS)(CFFH)(H)2	C(SC[6a])(CCHH)2(H)	H(CCCH)	108.5210	0.008	2	108.5210	0.000	2	108.3417	0.250	23	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	H(CCCH)	107.6055	0.409	2	107.6055	0.168	2	108.3417	0.250	23	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(SC[6a])(CCHH)(CCHN)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(SC[6a])(CCHH)(CCHN)(H)	H(CCCH)	108.8895	0.008	2	108.8895	0.000	2	108.3417	0.250	23	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(SC[6a])(CCo2C)(CCHH)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(SC[6a])(CCo2C)(CCHH)(H)	H(CCCH)	109.0470	0.004	2	109.0470	0.000	2	108.3417	0.250	23	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(CHHO)(H)2	C(SC[6a])(CCHH)2(H)	H(CCCH)	C(CCHS)(CHHO)(H)2	C(SC[6a])(CCHH)2(H)	H(CCCH)	108.7575	0.018	2	108.7575	0.000	2	108.3417	0.250	23	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)2(H)2	C(SC[5])(CCHH)(CH3)(H)	H(CCCH)	C(CCHS)2(H)2	C(SC[5])(CCHH)(CH3)(H)	H(CCCH)	108.1208	0.411	11	108.1208	0.169	11	108.3417	0.250	23	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CC[5]HH)(CCHS)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	H(CCCH)	C(CC[5]HH)(CCHS)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	H(CCCH)	108.4445	0.009	2	108.4445	0.000	2	108.3417	0.250	23	108.5770	1.139	119	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(CC3)(H)2	C(NC[5])(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CC3)(H)2	C(NC[5])(CCHH)(CH3)2	H(CCCH)	106.2248	0.101	6	106.2248	0.010	6	106.4189	0.320	12	107.1442	0.736	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(CC3)(H)2	C(NC[5a])(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CC3)(H)2	C(NC[5a])(CCHH)(CH3)2	H(CCCH)	106.1190	0.167	4	106.1190	0.028	4	106.4189	0.320	12	107.1442	0.736	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a])(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NC[6a])(CCHH)(CH3)2	H(CCCH)	107.6010	0.041	2	107.6010	0.002	2	106.4189	0.320	12	107.1442	0.736	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:4:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CCHH)(H)2	C(OC[5])(CCHH)(CH3)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(OC[5])(CCHH)(CH3)2	H(CCCH)	108.0330	0.007	2	108.0330	0.000	2	108.1286	0.297	5	107.1442	0.736	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:4:	4:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CCHH)(H)2	C(OC[6])(CCHH)(CCHO)(CH3)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(OC[6])(CCHH)(CCHO)(CH3)	H(CCCH)	108.1923	0.760	3	108.1923	0.578	3	108.1286	0.297	5	107.1442	0.736	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	2:4:4:4:	4:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:C-4:	C-4:	C(CCCS)(CCHN)(H)2	C(SC[6a])(CCHH)(CH3)2	H(CCCH)	C(CCCS)(CCHN)(H)2	C(SC[6a])(CCHH)(CH3)2	H(CCCH)	107.6167	0.037	8	107.6167	0.001	8	107.6167	0.001	8	107.1442	0.736	25	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:O-2:C-4:H-1:	C-4:	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	H(CCCH)	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	H(CCCH)	109.0655	0.047	2	109.0655	0.002	2	109.0655	0.002	2	108.6036	0.207	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(CC3)(H)2	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	H(CCCH)	C(CC[6a]HO)(CC3)(H)2	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	H(CCCH)	108.1545	0.036	2	108.1545	0.001	2	108.6712	0.143	9	108.6036	0.207	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	H(CCCH)	108.7126	0.254	5	108.7126	0.065	5	108.6712	0.143	9	108.6036	0.207	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	H(CCCH)	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	H(CCCH)	109.0845	0.008	2	109.0845	0.000	2	108.6712	0.143	9	108.6036	0.207	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	H(CCCH)	108.3853	0.501	10	108.3853	0.251	10	108.3853	0.251	10	108.6036	0.207	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:2:4:1:	4:	P-4:C-4:H-1:H-1:	C[6a]-3:N-2:C-4:H-1:	C-4:	C(PC[6a]2Pd)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	H(CCHP)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	H(CCHP)	108.9290	0.031	2	108.9290	0.001	2	108.9290	0.001	2	108.6036	0.207	23	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:2:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:O-2:	C-4:	C(CC[6a]OO)(CH3)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	H(CCCH)	C(CC[6a]OO)(CH3)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	H(CCCH)	109.1080	0.013	4	109.1080	0.000	4	109.1080	0.000	4	109.1080	0.000	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:3:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C-4:	C(CC[5a]3)(CH3)(H)2	C(C[5a]C[5a]S[5a])3(CCHH)	H(CCCH)	C(CC[5a]3)(CH3)(H)2	C(C[5a]C[5a]S[5a])3(CCHH)	H(CCCH)	108.6630	0.018	2	108.6630	0.000	2	108.6630	0.000	2	108.5906	0.050	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:3:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	H(CCCH)	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	H(CCCH)	108.5481	0.270	10	108.5481	0.073	10	108.5481	0.073	10	108.5906	0.050	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:3:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-3:C-4:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	H(CCCH)	108.7670	0.011	2	108.7670	0.000	2	108.7670	0.000	2	108.5906	0.050	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:3:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(CHHP)(H)2	C(C[6a]C[6a]2)3(CCHH)	H(CCCH)	C(CC[6a]3)(CHHP)(H)2	C(C[6a]C[6a]2)3(CCHH)	H(CCCH)	108.5545	0.047	2	108.5545	0.002	2	108.5545	0.002	2	108.5906	0.050	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]O)2(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]O)2(CCHH)(H)	H(CCCH)	109.0850	0.078	6	109.0850	0.006	6	109.0804	0.004	8	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[5a]O)2(CCHH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[5a]O)2(CCHH)(H)	H(CCCH)	109.0665	0.011	2	109.0665	0.000	2	109.0804	0.004	8	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-3:C-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	H(CCCH)	108.1560	0.037	2	108.1560	0.001	2	108.1560	0.001	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[5]2H)(CCHH)(H)2	C(C[5]N[5]2)2(CCHH)(H)	H(CCCH)	C(CC[5]2H)(CCHH)(H)2	C(C[5]N[5]2)2(CCHH)(H)	H(CCCH)	108.6645	0.015	2	108.6645	0.000	2	108.6645	0.000	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CC[5]CC)(H)2	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CC[5]CC)(H)2	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	107.7605	0.011	2	107.7605	0.000	2	107.7605	0.000	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	H(CCCH)	C(CC[5a]2H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	H(CCCH)	107.8605	0.008	2	107.8605	0.000	2	108.7329	0.202	11	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	H(CCCH)	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	H(CCCH)	108.9275	0.015	2	108.9275	0.000	2	108.7329	0.202	11	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]N[5a]2)2(CCHH)(H)	H(CCCH)	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]N[5a]2)2(CCHH)(H)	H(CCCH)	108.6980	0.020	2	108.6980	0.000	2	108.7329	0.202	11	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(CClHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	H(CCCH)	C(CC[5a]2H)(CClHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	H(CCCH)	108.9910	0.000	1	108.9910	0.000	1	108.7329	0.202	11	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	H(CCCH)	C(CC[5a]2H)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	H(CCCH)	108.9710	0.010	2	108.9710	0.000	2	108.7329	0.202	11	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]2H)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	H(CCCH)	C(CC[5a]2H)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	H(CCCH)	109.0785	0.011	2	109.0785	0.000	2	108.7329	0.202	11	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.9980	0.004	2	108.9980	0.000	2	108.8881	0.111	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.6575	0.015	2	108.6575	0.000	2	108.8881	0.111	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCHO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCHO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.1425	0.009	2	109.1425	0.000	2	108.8881	0.111	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CF3)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CF3)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.3975	0.037	2	108.3975	0.001	2	108.8881	0.111	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CHHO)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CHHO)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.2450	0.016	2	109.2450	0.000	2	108.8881	0.111	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	H(CCCH)	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	H(CCCH)	108.1355	0.089	4	108.1355	0.008	4	108.5080	0.119	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:	C(CC[5a]HN)(CCHO)(H)2	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[5a]HN)(CCHO)(H)2	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	H(CCCH)	108.7385	0.194	4	108.7385	0.038	4	108.5080	0.119	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:	C(CC[5a]HN)(CH3)(H)2	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[5a]HN)(CH3)(H)2	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	H(CCCH)	108.7920	0.024	2	108.7920	0.001	2	108.5080	0.119	10	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N[6]-3:C-4:H-1:	C-4:	C(CC[5a]N[6]H)(CC3)(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[5a]N[6]H)(CC3)(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	H(CCCH)	107.8595	0.108	2	107.8595	0.012	2	107.8595	0.012	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6]2H)(CCCH)(H)2	C(C[6]C[6]2)2(CCHH)(H)	H(CCCH)	C(CC[6]2H)(CCCH)(H)2	C(C[6]C[6]2)2(CCHH)(H)	H(CCCH)	108.6010	0.135	7	108.6010	0.018	7	108.6222	0.019	8	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6]2H)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(H)	H(CCCH)	C(CC[6]2H)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(H)	H(CCCH)	108.7710	0.000	1	108.7710	0.000	1	108.6222	0.019	8	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.4700	0.006	2	108.4700	0.000	2	108.8427	0.185	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.2155	0.026	2	109.2155	0.001	2	108.8427	0.185	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:P-3:C-4:H-1:	C-4:	C(CC[6]HP)(CCHH)(H)2	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6]HP)(CCHH)(H)2	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	H(CCCH)	108.2043	0.464	4	108.2043	0.216	4	108.2043	0.216	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	H(CCCH)	108.7400	0.016	2	108.7400	0.000	2	108.9925	0.081	13	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	H(CCCH)	109.3800	0.048	2	109.3800	0.002	2	108.9925	0.081	13	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	H(CCCH)	109.0420	0.286	4	109.0420	0.082	4	108.9925	0.081	13	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]CC)(H)2	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[5]CC)(H)2	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	H(CCCH)	108.7000	0.010	2	108.7000	0.000	2	108.9925	0.081	13	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	H(CCCH)	109.1655	0.045	2	109.1655	0.002	2	108.9925	0.081	13	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	H(CCCH)	108.7640	0.000	1	108.7640	0.000	1	108.9925	0.081	13	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CHHN)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CHHN)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	H(CCCH)	108.9850	0.018	2	108.9850	0.000	2	108.9850	0.000	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	108.9057	0.461	8	108.9057	0.213	8	109.0754	0.230	24	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CF3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CF3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	108.6345	0.005	2	108.6345	0.000	2	109.0754	0.230	24	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	109.2354	0.467	14	109.2354	0.218	14	109.0754	0.230	24	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	108.4887	0.333	6	108.4887	0.111	6	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCFF)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CCFF)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.7225	0.009	2	108.7225	0.000	2	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	108.8483	0.341	275	108.8483	0.117	275	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.8350	0.028	2	108.8350	0.001	2	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	107.7280	1.952	4	107.7280	3.810	4	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	108.6413	0.480	29	108.6413	0.230	29	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0300	0.000	1	109.0300	0.000	1	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	109.0131	0.229	229	109.0131	0.052	229	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	109.2410	0.152	6	109.2410	0.023	6	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.5507	0.895	8	108.5507	0.801	8	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	C(CC[6a]2H)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	H(CCCH)	108.7870	0.000	1	108.7870	0.000	1	108.8926	0.146	563	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	H(CCCH)	108.2210	0.000	1	108.2210	0.000	1	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	H(CCCH)	108.4370	0.061	2	108.4370	0.004	2	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	108.7595	0.009	2	108.7595	0.000	2	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCHO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCHO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	108.4466	0.556	8	108.4466	0.309	8	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	H(CCCH)	108.1509	0.105	8	108.1509	0.011	8	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	109.2875	0.080	2	109.2875	0.006	2	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	H(CCCH)	108.7138	0.162	4	108.7138	0.026	4	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	H(CCCH)	109.0475	0.034	4	109.0475	0.001	4	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	H(CCCH)	108.8787	0.324	4	108.8787	0.105	4	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	H(CCCH)	109.2335	0.042	2	109.2335	0.002	2	108.6215	0.211	37	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.2600	0.017	2	109.2600	0.000	2	109.2600	0.000	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:I-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	H(CCCI)	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	H(CCCI)	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:I-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	H(CCCI)	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	H(CCCI)	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C[5]-4:H-1:H-1:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	H(CC[5]CH)	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	H(CC[5]CH)	108.8802	0.078	5	108.8802	0.006	5	108.8802	0.006	5	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	H(CC[5]CH)	C(CC[6a]N[5]H)(C[5]C[5]2Fe)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	H(CC[5]CH)	109.5075	0.026	2	109.5075	0.001	2	109.1060	0.216	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	H(CC[5]CH)	C(CC[6a]N[5]H)(C[5]C[5]2Mo)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(H)	H(CC[5]CH)	108.7045	0.036	2	108.7045	0.001	2	109.1060	0.216	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	H(CC[6]CH)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6]HH)(H)	H(CC[6]CH)	107.3092	0.386	4	107.3092	0.149	4	107.3092	0.149	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	H(CC[6]CH)	C(CC[5a]C[6a]H)(C[6]C[6]2H)(H)2	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	H(CC[6]CH)	107.3085	0.012	2	107.3085	0.000	2	107.3085	0.000	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C[6]-4:H-1:H-1:	N[5a]-3:C[5a]-3:C-4:H-1:	C-4:	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	H(CC[6]CH)	C(CC[5a]N[5a]H)(C[6]C[6]2H)(H)2	C(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	H(CC[6]CH)	108.0880	0.033	4	108.0880	0.001	4	108.0880	0.001	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(NCCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NCCH)(H)2	C(C[6a]C[6a]2)(CN[5]O)(CHHN)(H)	H(CCHN)	107.7310	2.123	2	107.7310	4.506	2	107.7310	4.506	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	H(CCHN)	107.4395	0.043	2	107.4395	0.002	2	107.4395	0.002	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NCuHH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	C(CC[6a]2H)(NCuHH)(H)2	C(C[6a]C[6a]2)2(CHHN)(H)	H(CCHN)	108.7985	0.057	2	108.7985	0.003	2	108.7985	0.003	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(NNiCH)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]N[5]H)(NNiCH)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.1298	0.422	4	109.1298	0.178	4	109.1298	0.178	4	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(NAlCrC)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	C(CN[5]2H)(NAlCrC)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	108.6980	0.013	2	108.6980	0.000	2	108.8287	0.016	18	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(NCrCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	C(CN[5]2H)(NCrCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	108.9982	0.014	4	108.9982	0.000	4	108.8287	0.016	18	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(NCuHH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	C(CN[5]2H)(NCuHH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	108.7988	0.055	6	108.7988	0.003	6	108.8287	0.016	18	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(NMnCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	C(CN[5]2H)(NMnCH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	108.7233	0.121	4	108.7233	0.015	4	108.8287	0.016	18	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(NReHH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	C(CN[5]2H)(NReHH)(H)2	C(N[5]C[5]N[5])2(CHHN)(H)	H(CCHN)	108.9205	0.035	2	108.9205	0.001	2	108.8287	0.016	18	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6]2H)(PRuCC)(H)2	C(C[6]C[6]N[6])2(CHHP)(H)	H(CCHP)	C(CC[6]2H)(PRuCC)(H)2	C(C[6]C[6]N[6])2(CHHP)(H)	H(CCHP)	109.1240	0.136	2	109.1240	0.018	2	109.1240	0.018	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:S-4:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(SFOO)(H)2	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	H(CCHS)	C(CC[6a]C[5]H)(SFOO)(H)2	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHS)(H)	H(CCHS)	108.8415	0.043	2	108.8415	0.002	2	108.8415	0.002	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	H(CCHS)	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CHHS)(H)	H(CCHS)	108.3195	0.005	2	108.3195	0.000	2	108.3195	0.000	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(H)	H(CCHS)	C(CC[6a]2H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(H)	H(CCHS)	108.3640	0.028	2	108.3640	0.001	2	108.3640	0.001	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(SCOO)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	H(CCHS)	C(CC[6a]N[5]H)(SCOO)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHS)(H)	H(CCHS)	108.7651	0.448	9	108.7651	0.201	9	108.7651	0.201	9	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:C-4:H-1:	C-4:	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	H(CC[6,6]CH)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]H)(H)2	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	H(CC[6,6]CH)	107.6955	0.015	2	107.6955	0.000	2	107.6955	0.000	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	H(CC[6]CH)	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(H)	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	C(C[6a]C[6a]2)2(CC[6]HH)(H)	H(CC[6]CH)	108.0315	0.040	2	108.0315	0.002	2	108.0315	0.002	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:1:	4:	P-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(PC[6a]2Ni)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)(H)	H(CCHP)	C(PC[6a]2Ni)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NC[6a]Ni)(CHHP)(H)	H(CCHP)	110.2735	0.155	2	110.2735	0.024	2	110.2735	0.024	2	108.8399	0.202	777	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:F-1:H-1:	N[5a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	H(CCCF)	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	H(CCCF)	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	H(CCCH)	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	H(CCCH)	109.2645	0.206	4	109.2645	0.042	4	109.2645	0.042	4	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-2:	C-4:	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(CN)	H(CCCH)	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(CN)	H(CCCH)	108.0563	0.063	4	108.0563	0.004	4	108.0563	0.004	4	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C-4:	C(CC[6]2O)(CH3)(H)2	C(C[6]C[6]N[6])2(CCHH)(OC)	H(CCCH)	C(CC[6]2O)(CH3)(H)2	C(C[6]C[6]N[6])2(CCHH)(OC)	H(CCCH)	108.1125	0.036	2	108.1125	0.001	2	108.1125	0.001	2	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	H(CCCH)	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	H(CCCH)	108.7060	0.035	2	108.7060	0.001	2	108.7060	0.001	2	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]2C)(CCHH)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	H(CCCH)	C(CC[6a]2C)(CCHH)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	H(CCCH)	108.9814	0.160	8	108.9814	0.026	8	108.9344	0.042	9	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]2C)(CCHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	H(CCCH)	C(CC[6a]2C)(CCHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	H(CCCH)	108.5590	0.000	1	108.5590	0.000	1	108.9344	0.042	9	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-2:	C-4:	C(CC[6a]2N)(CCl2H)(H)2	C(C[6a]C[6a]2)2(CCHH)(NC)	H(CCCH)	C(CC[6a]2N)(CCl2H)(H)2	C(C[6a]C[6a]2)2(CCHH)(NC)	H(CCCH)	108.6585	0.015	2	108.6585	0.000	2	108.6585	0.000	2	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	108.3021	0.484	15	108.3021	0.235	15	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	108.3670	0.020	2	108.3670	0.000	2	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	108.7010	0.054	2	108.7010	0.003	2	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CClHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CClHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	109.1965	0.016	2	109.1965	0.000	2	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCo2C)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CCo2C)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	108.9810	0.086	4	108.9810	0.007	4	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CH3)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	H(CCCH)	C(CC[6a]2O)(CH3)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	H(CCCH)	107.3640	2.886	2	107.3640	8.331	2	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	H(CCCH)	109.0220	0.466	3	109.0220	0.217	3	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg)	H(CCCH)	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg)	H(CCCH)	109.2125	0.034	4	109.2125	0.001	4	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CNiCC)(H)2	C(C[6a]C[6a]2)2(CCHH)(ONi)	H(CCCH)	C(CC[6a]2O)(CNiCC)(H)2	C(C[6a]C[6a]2)2(CCHH)(ONi)	H(CCCH)	110.2085	0.511	2	110.2085	0.261	2	108.6679	0.720	36	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(NFeCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OFe)	H(CCHN)	C(CC[6a]2O)(NFeCC)(H)2	C(C[6a]C[6a]2)2(CHHN)(OFe)	H(CCHN)	109.2947	0.015	3	109.2947	0.000	3	109.2947	0.000	3	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(PBCC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	H(CCHP)	C(CC[6a]2O)(PBCC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	H(CCHP)	107.7285	0.078	2	107.7285	0.006	2	107.5986	0.054	8	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(PCCS)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	H(CCHP)	C(CC[6a]2O)(PCCS)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	H(CCHP)	107.7645	0.037	2	107.7645	0.001	2	107.5986	0.054	8	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(PC[6a]BC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	H(CCHP)	C(CC[6a]2O)(PC[6a]BC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	H(CCHP)	107.4507	0.253	4	107.4507	0.064	4	107.5986	0.054	8	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(OC)	H(CCHS)	C(CC[6a]2O)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)2(CHHS)(OC)	H(CCHS)	108.4450	0.018	2	108.4450	0.000	2	108.4450	0.000	2	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(C[5]O[5]2C)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CC[5]HH)(OH)	H(CC[5]CH)	107.4815	0.006	2	107.4815	0.000	2	107.4815	0.000	2	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C[5a]-3:C-4:O-2:	C-4:	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	H(CC[6,6]CH)	C(C[6,6]C[3,6,6]C[3x6]H)(CC[5a]C[6a]O)(H)2	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	H(CC[6,6]CH)	107.9050	0.040	2	107.9050	0.002	2	107.9050	0.002	2	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:2:	4:	N[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(N[5]C[5]2Al)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CN[5]HH)(OAl)	H(CN[5]CH)	C(N[5]C[5]2Al)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CN[5]HH)(OAl)	H(CN[5]CH)	109.8960	0.044	2	109.8960	0.002	2	109.8960	0.002	2	108.5759	0.602	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	H(CCCH)	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	H(CCCH)	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-3:	C-4:	C(CC[6]2O)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(OCo2)	H(CCCH)	C(CC[6]2O)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(OCo2)	H(CCCH)	109.0875	0.056	2	109.0875	0.003	2	109.0875	0.003	2	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CBrHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	H(CCCH)	C(CC[6a]2C)(CBrHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	H(CCCH)	109.0290	0.000	1	109.0290	0.000	1	108.5708	0.263	17	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CF3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	H(CCCH)	C(CC[6a]2C)(CF3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	H(CCCH)	107.8328	0.057	4	107.8328	0.003	4	108.5708	0.263	17	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCO)	H(CCCH)	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCO)	H(CCCH)	108.6645	0.016	2	108.6645	0.000	2	108.5708	0.263	17	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	H(CCCH)	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	H(CCCH)	108.6605	0.018	2	108.6605	0.000	2	108.5708	0.263	17	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCH)	H(CCCH)	C(CC[6a]2C)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCH)	H(CCCH)	109.1805	0.015	2	109.1805	0.000	2	108.5708	0.263	17	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:	C(CC[6a]2C)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	H(CCCH)	C(CC[6a]2C)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	H(CCCH)	108.7220	0.425	6	108.7220	0.180	6	108.5708	0.263	17	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[6a]2N)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	H(CCCH)	C(CC[6a]2N)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	H(CCCH)	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-3:	C-4:	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg2)	H(CCCH)	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg2)	H(CCCH)	108.5470	0.078	6	108.5470	0.006	6	108.5470	0.006	6	108.6407	0.199	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CC[5a]O)2(CCHH)2	H(CCCH)	C(CC3)(CH3)(H)2	C(CC[5a]O)2(CCHH)2	H(CCCH)	108.7240	0.035	4	108.7240	0.001	4	108.6720	0.213	10	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CC[5]O)2(CCHH)(CH3)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[5]O)2(CCHH)(CH3)	H(CCCH)	108.6373	0.616	6	108.6373	0.380	6	108.6720	0.213	10	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5])2(CCHH)2	H(CCCH)	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5])2(CCHH)2	H(CCCH)	108.3023	0.167	8	108.3023	0.028	8	108.3576	0.146	10	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5]2C)(CHHN)(H)2	C(C[5]N[5]O[5])2(CCHH)(CH3)	H(CCCH)	C(CC[5]2C)(CHHN)(H)2	C(C[5]N[5]O[5])2(CCHH)(CH3)	H(CCCH)	108.5790	0.997	2	108.5790	0.994	2	108.3576	0.146	10	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:	C(CC[5a]C[5]C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	H(CCCH)	C(CC[5a]C[5]C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	H(CCCH)	108.1555	0.589	4	108.1555	0.347	4	108.1555	0.347	4	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	H(CCCH)	108.5132	0.354	28	108.5132	0.125	28	108.3716	0.220	279	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)2	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)2	H(CCCH)	108.1726	0.164	29	108.1726	0.027	29	108.3716	0.220	279	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	H(CCCH)	108.3389	0.327	38	108.3389	0.107	38	108.3716	0.220	279	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	H(CCCH)	C(CC[5a]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	H(CCCH)	108.2480	0.640	19	108.2480	0.409	19	108.3716	0.220	279	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)2	H(CCCH)	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)2	H(CCCH)	108.4401	0.268	151	108.4401	0.072	151	108.3716	0.220	279	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	H(CCCH)	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	H(CCCH)	104.7525	2.333	2	104.7525	5.442	2	108.3716	0.220	279	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	H(CCCH)	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	H(CCCH)	108.5622	0.091	12	108.5622	0.008	12	108.3716	0.220	279	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[5a]C[6a]C)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCCH)	C(CC[5a]C[6a]C)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	H(CCCH)	108.6685	0.134	4	108.6685	0.018	4	108.6685	0.018	4	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)2	H(CCCH)	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)2	H(CCCH)	108.6870	0.353	3	108.6870	0.124	3	108.6870	0.124	3	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-4:C-4:	C-4:	C(CC[6]2N)(CCHH)(H)2	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	H(CCCH)	C(CC[6]2N)(CCHH)(H)2	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	H(CCCH)	107.0380	0.099	2	107.0380	0.010	2	107.0380	0.010	2	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	H(CCCH)	C(CC[6a]2C)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	H(CCCH)	107.8185	0.045	2	107.8185	0.002	2	108.3670	0.289	7	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	H(CCCH)	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	H(CCCH)	108.1750	0.010	2	108.1750	0.000	2	108.3670	0.289	7	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:	C(CC[6a]2C)(CHHP)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	H(CCCH)	C(CC[6a]2C)(CHHP)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	H(CCCH)	108.8607	0.402	3	108.8607	0.162	3	108.3670	0.289	7	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:3:4:4:	4:	C-4:C[5]-4:H-1:H-1:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	H(CC[5]CH)	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	H(CC[5]CH)	107.0915	0.054	2	107.0915	0.003	2	107.0915	0.003	2	108.3681	0.238	321	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(BC[6a]3)(CB[5]HH)(H)2	C(B[5]O[5]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]3)(CB[5]HH)(H)2	C(B[5]O[5]2)(CBHH)(H)2	H(CBCH)	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CBHH)(H)2	H(CBCH)	108.5373	0.478	4	108.5373	0.228	4	108.6995	0.200	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(BC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CBHH)(H)2	H(CBCH)	109.0240	0.010	2	109.0240	0.000	2	108.6995	0.200	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]2)(CBHH)(H)2	H(CBCH)	109.1983	0.695	6	109.1983	0.484	6	108.7282	0.514	13	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(BC[6a]2N[6])(CHHP)(H)2	C(PC[6a]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]2N[6])(CHHP)(H)2	C(PC[6a]2)(CBHH)(H)2	H(CBCH)	108.5990	0.000	1	108.5990	0.000	1	108.7282	0.514	13	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(BC[6a]N[6]C)(CHHP)(H)2	C(PC[6a]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]N[6]C)(CHHP)(H)2	C(PC[6a]2)(CBHH)(H)2	H(CBCH)	108.2797	0.491	6	108.2797	0.241	6	108.7282	0.514	13	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	Si-3:C-4:H-1:H-1:	C-4:	C(BC[6a]3)(CSiHH)(H)2	C(SiSi[4]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]3)(CSiHH)(H)2	C(SiSi[4]2)(CBHH)(H)2	H(CBCH)	108.2110	0.041	2	108.2110	0.002	2	108.2110	0.002	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B[5,5]-4:C-4:H-1:I-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	H(CB[5,5]CI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	H(CB[5,5]CI)	108.3320	1.317	2	108.3320	1.734	2	108.3320	1.734	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	B[6,6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2N)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CB[6,6]HH)(H)2	H(CB[6,6]CH)	106.7835	3.227	4	106.7835	10.414	4	106.7835	10.414	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CBrCH)(Br)(H)	C(CC[6a]O)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]BrH)(CBrCH)(Br)(H)	C(CC[6a]O)(CBrCH)(Br)(H)	H(CBrCC)	107.9320	0.000	1	107.9320	0.000	1	107.9320	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CBrCH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6a]BrH)(CBrCH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	H(CBrCC)	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	H(CBrCC)	C(CC[6a]ClH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	H(CBrCC)	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCO)(Br)(H)	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	H(CBrCC)	C(CC[6a]HH)(CCCO)(Br)(H)	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	H(CBrCC)	107.4375	0.108	2	107.4375	0.012	2	107.8912	0.283	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	C(CC[6a]HH)(CCCO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	108.4300	0.000	1	108.4300	0.000	1	107.8912	0.283	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]CO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	C(CC[6a]HH)(CC[5]CO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(H)2	H(CBrCC)	108.2600	0.000	1	108.2600	0.000	1	107.8912	0.283	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(Br)(H)	C(NC[6a]S)(CBrCH)(H)2	H(CBrCC)	C(CCHN)(CHHN)(Br)(H)	C(NC[6a]S)(CBrCH)(H)2	H(CBrCC)	107.8270	0.000	1	107.8270	0.000	1	107.4125	0.344	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Br-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]BrC)(CHHN)(Br)(H)	C(NC[6a]C)(CBrCH)(H)2	H(CBrCC)	C(CC[6a]BrC)(CHHN)(Br)(H)	C(NC[6a]C)(CBrCH)(H)2	H(CBrCC)	106.9980	0.000	1	106.9980	0.000	1	107.4125	0.344	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-3:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(Cl)(H)	C(CC[6a]O)(CClCH)(Cl)(H)	H(CClCC)	C(CClCH)2(Cl)(H)	C(CC[6a]O)(CClCH)(Cl)(H)	H(CClCC)	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(Cl)(H)	C(C[5a]C[5a]N[5a])(CClCH)(H)2	H(CClCC)	C(CC[5a]HH)(CCHH)(Cl)(H)	C(C[5a]C[5a]N[5a])(CClCH)(H)2	H(CClCC)	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(CHHO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	H(CClCC)	C(CC[6a]ClH)(CHHO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	H(CClCC)	108.2525	0.330	2	108.2525	0.109	2	108.2525	0.109	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(H)2	H(CClCC)	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(H)2	H(CClCC)	108.6650	0.000	1	108.6650	0.000	1	108.8557	0.115	3	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(Cl)(H)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	H(CClCC)	C(CC[6a]HH)(CHHO)(Cl)(H)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	H(CClCC)	108.9510	0.419	2	108.9510	0.175	2	108.8557	0.115	3	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(F)(H)	C(CC[6a]O)(CCFH)(H)2	H(CCCF)	C(CCHH)(CH3)(F)(H)	C(CC[6a]O)(CCFH)(H)2	H(CCCF)	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(CCFH)(F)(H)	C(C[6a]C[6a]2)(CCFH)(F)(H)	H(CCCF)	C(CC[6a]FH)(CCFH)(F)(H)	C(C[6a]C[6a]2)(CCFH)(F)(H)	H(CCCF)	109.3157	0.103	3	109.3157	0.011	3	109.3157	0.011	3	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	H(CCCF)	C(CC[6a]HH)(CHHN)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	H(CCCF)	111.3810	0.000	1	111.3810	0.000	1	110.4210	1.843	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	H(CCCF)	C(CC[6a]HH)(CHHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	H(CCCF)	109.4610	0.000	1	109.4610	0.000	1	110.4210	1.843	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:F-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(F)(H)	C(NC[6a]H)(CCFH)(H)2	H(CCCF)	C(CN[5a]HH)(CHHN)(F)(H)	C(NC[6a]H)(CCFH)(H)2	H(CCCF)	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:F-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCFH)(F)(H)	C(N[5]C[5]2)(CCFH)(H)2	H(CCCF)	C(CN[5]HH)(CCFH)(F)(H)	C(N[5]C[5]2)(CCFH)(H)2	H(CCCF)	109.1103	0.320	3	109.1103	0.103	3	109.1103	0.103	3	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:F-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(F)(H)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	H(CCCF)	C(CN[5a]HH)(CHHN)(F)(H)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	H(CCCF)	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	As-3:C-4:H-1:H-1:	C-4:	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2)(CCHH)(H)2	H(CCCH)	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2)(CCHH)(H)2	H(CCCH)	110.1530	0.931	2	110.1530	0.866	2	110.1530	0.866	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	107.4350	0.023	2	107.4350	0.001	2	109.0336	0.893	9	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	109.7350	0.000	1	109.7350	0.000	1	109.0336	0.893	9	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	109.1680	0.011	2	109.1680	0.000	2	109.0336	0.893	9	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CBHH)(H)2	C(BC[6a]2)(CCHH)(H)2	H(CCCH)	109.5902	0.297	4	109.5902	0.088	4	109.0336	0.893	9	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(CCHH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	H(CCCH)	C(CB[5]HH)(CCHH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	H(CCCH)	108.9725	0.057	2	108.9725	0.003	2	109.2943	0.137	13	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(CN[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	H(CCCH)	C(CB[5]HH)(CN[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	H(CCCH)	109.3588	0.249	6	109.3588	0.062	6	109.2943	0.137	13	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(CB[5]HH)2(H)2	C(B[5]C[5,6a]2)(CCHH)(H)2	H(CCCH)	C(CB[5]HH)2(H)2	C(B[5]C[5,6a]2)(CCHH)(H)2	H(CCCH)	109.7247	0.028	3	109.7247	0.001	3	109.2943	0.137	13	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CB[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HN)(CB[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	H(CCCH)	108.7770	0.028	2	108.7770	0.001	2	109.2943	0.137	13	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2)(CCHH)(H)2	H(CCCH)	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2)(CCHH)(H)2	H(CCCH)	109.4796	0.146	7	109.4796	0.021	7	109.4796	0.021	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CH3)(H)2	C(CN[5]O)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CH3)(H)2	C(CN[5]O)(CCHH)(Br)(H)	H(CCCH)	109.3550	0.030	2	109.3550	0.001	2	109.6958	0.155	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CH3)(H)2	C(CN[6]O)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CH3)(H)2	C(CN[6]O)(CCHH)(Br)(H)	H(CCCH)	110.0365	0.019	2	110.0365	0.000	2	109.6958	0.155	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:Cl-1:Cl-1:	C-4:	C(CC[6a]CO)(CCl2C)(H)2	C(CC[6a]O)(CCHH)(Cl)2	H(CCCH)	C(CC[6a]CO)(CCl2C)(H)2	C(CC[6a]O)(CCHH)(Cl)2	H(CCCH)	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	108.8115	0.032	2	108.8115	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.7776	0.373	10	108.7776	0.139	10	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	108.5210	0.000	1	108.5210	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	108.4100	0.030	2	108.4100	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.6292	0.214	4	108.6292	0.046	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	109.2685	0.019	2	109.2685	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	110.8720	1.952	2	110.8720	3.809	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[4]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[4]C)(CCHH)(H)2	H(CCCH)	107.9715	0.138	4	107.9715	0.019	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5,6]O)(CCHH)(H)2	H(CCCH)	108.8822	0.060	4	108.8822	0.004	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.2740	0.000	1	108.2740	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCNP)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCNP)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	109.0083	0.096	3	109.0083	0.009	3	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCNS)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCNS)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.5370	0.028	2	108.5370	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CF3)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	109.2490	0.000	1	109.2490	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	109.0588	0.042	4	109.0588	0.002	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	107.0450	5.254	4	107.0450	27.603	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	109.2451	0.090	7	109.2451	0.008	7	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]C[5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]C[5])(CCHH)(H)2	H(CCCH)	109.0295	0.080	2	109.0295	0.006	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	109.1660	0.118	20	109.1660	0.014	20	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	108.8656	0.274	14	108.8656	0.075	14	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	109.1822	0.241	6	109.1822	0.058	6	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	108.8487	0.207	12	108.8487	0.043	12	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]C[5])(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]C[5])(CCHH)(H)2	H(CCCH)	109.2380	0.062	2	109.2380	0.004	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]C[6])(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]C[6])(CCHH)(H)2	H(CCCH)	109.1270	0.047	4	109.1270	0.002	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]H)(CCHH)(H)2	H(CCCH)	110.1170	0.040	4	110.1170	0.002	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.9977	0.673	23	108.9977	0.452	23	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[5]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[5]H)(CCHH)(H)2	H(CCCH)	111.2520	0.276	2	111.2520	0.076	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	109.3006	0.074	7	109.3006	0.005	7	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	109.1174	0.272	5	109.1174	0.074	5	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	109.0310	0.000	1	109.0310	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	109.0835	1.428	2	109.0835	2.038	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	109.6776	0.280	7	109.6776	0.079	7	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.5440	0.017	2	108.5440	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	108.9658	0.211	5	108.9658	0.044	5	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	109.1500	0.000	1	109.1500	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	109.4485	0.062	2	109.4485	0.004	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CB[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CB[5]C)(CCHH)(H)2	H(CCCH)	108.9030	0.020	2	108.9030	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CB[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CB[6a]C)(CCHH)(H)2	H(CCCH)	108.9080	0.020	2	108.9080	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3]N)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3]N)(CCHH)(H)2	H(CCCH)	108.9057	0.236	4	108.9057	0.056	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3]O)(CCHH)(H)2	H(CCCH)	107.8235	0.009	2	107.8235	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	H(CCCH)	109.0085	0.030	2	109.0085	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3x6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3x6]O)(CCHH)(H)2	H(CCCH)	109.0980	0.006	2	109.0980	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[4]Cl)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[4]Cl)(CCHH)(H)2	H(CCCH)	108.5520	0.062	2	108.5520	0.004	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[4]H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[4]H)(CCHH)(H)2	H(CCCH)	108.7420	0.027	2	108.7420	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	108.7128	0.960	17	108.7128	0.922	17	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	108.4477	1.123	8	108.4477	1.262	8	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]N)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]N)(CCHH)(H)2	H(CCCH)	108.7830	0.401	10	108.7830	0.161	10	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	108.6297	0.423	53	108.6297	0.179	53	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]Si)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]Si)(CCHH)(H)2	H(CCCH)	109.1500	0.000	1	109.1500	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]2)(CCHH)(H)2	H(CCCH)	108.8788	0.107	6	108.8788	0.011	6	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]C)(CCHH)(H)2	H(CCCH)	108.7080	0.000	1	108.7080	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	H(CCCH)	110.7589	4.583	10	110.7589	21.004	10	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]N)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]N)(CCHH)(H)2	H(CCCH)	108.7175	0.073	2	108.7175	0.005	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	H(CCCH)	108.4897	0.861	40	108.4897	0.741	40	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	108.5990	0.738	13	108.5990	0.544	13	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	108.1669	0.467	8	108.1669	0.218	8	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]I)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]I)(CCHH)(H)2	H(CCCH)	108.9183	0.051	3	108.9183	0.003	3	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]N)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]N)(CCHH)(H)2	H(CCCH)	108.4701	0.615	54	108.4701	0.378	54	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	108.8619	0.389	29	108.8619	0.151	29	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]P)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]P)(CCHH)(H)2	H(CCCH)	108.7716	0.263	8	108.7716	0.069	8	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	H(CCCH)	109.1194	0.838	33	109.1194	0.702	33	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]C[5])(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]C[5])(CCHH)(H)2	H(CCCH)	108.2495	0.008	2	108.2495	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]N)(CCHH)(H)2	H(CCCH)	109.0722	0.057	4	109.0722	0.003	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	109.0325	0.475	57	109.0325	0.226	57	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5]C)(CCHH)(H)2	H(CCCH)	106.8933	1.488	6	106.8933	2.214	6	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5]H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5]H)(CCHH)(H)2	H(CCCH)	108.2530	0.037	2	108.2530	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	108.8737	0.381	17	108.8737	0.145	17	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5]Rh)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5]Rh)(CCHH)(H)2	H(CCCH)	109.2175	0.029	2	109.2175	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5a]C)(CCHH)(H)2	H(CCCH)	109.0880	0.007	2	109.0880	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5a]O)(CCHH)(H)2	H(CCCH)	108.9337	0.118	7	108.9337	0.014	7	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6]C)(CCHH)(H)2	H(CCCH)	108.4487	0.547	6	108.4487	0.299	6	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	108.0697	1.363	7	108.0697	1.857	7	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6a]O)(CCHH)(H)2	H(CCCH)	108.9330	0.267	4	108.9330	0.071	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CS[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CS[6]C)(CCHH)(H)2	H(CCCH)	107.1340	0.000	1	107.1340	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	H(CCCH)	109.1325	0.125	8	109.1325	0.016	8	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	109.2070	0.035	4	109.2070	0.001	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	108.8255	0.021	2	108.8255	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	H(CCCH)	108.4265	0.022	2	108.4265	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]ClH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]ClH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	108.5515	0.022	2	108.5515	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	108.5450	0.054	2	108.5450	0.003	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[6]H)(CCHH)(H)2	H(CCCH)	108.9253	0.679	6	108.9253	0.461	6	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	108.7405	0.379	4	108.7405	0.144	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	108.7194	0.103	8	108.7194	0.011	8	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CN[5]S)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CN[5]S)(CCHH)(H)2	H(CCCH)	108.4370	0.028	2	108.4370	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	H(CCCH)	108.5405	0.042	4	108.5405	0.002	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.7340	0.000	1	108.7340	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	108.5442	1.086	36	108.5442	1.180	36	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CN[6]O)(CCHH)(H)2	H(CCCH)	107.7685	0.455	2	107.7685	0.207	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	108.5250	0.046	4	108.5250	0.002	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	109.1460	0.000	1	109.1460	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.8165	0.708	4	108.8165	0.501	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.9990	0.024	2	108.9990	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(CN[4]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(CN[4]O)(CCHH)(H)2	H(CCCH)	108.2133	0.636	4	108.2133	0.405	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	111.7625	3.311	2	111.7625	10.965	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	H(CCCH)	109.3270	0.027	2	109.3270	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	108.7615	0.013	2	108.7615	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	109.0190	0.010	2	109.0190	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.1240	0.121	4	108.1240	0.015	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCdOO)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCdOO)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	108.5460	0.035	2	108.5460	0.001	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	H(CCCH)	108.9705	0.105	4	108.9705	0.011	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	111.0160	0.000	1	111.0160	0.000	1	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	H(CCCH)	109.7195	0.015	2	109.7195	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	H(CCCH)	108.6684	0.127	5	108.6684	0.016	5	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	109.5750	0.021	2	109.5750	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	H(CCCH)	108.6343	0.042	4	108.6343	0.002	4	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[3x6]O)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[3x6]O)(CCHH)(H)2	H(CCCH)	108.7520	0.021	2	108.7520	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	H(CCCH)	108.5050	0.008	2	108.5050	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	H(CCCH)	109.0145	0.015	2	109.0145	0.000	2	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	H(CCCH)	109.5246	0.713	68	109.5246	0.509	68	108.8755	0.949	809	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-3:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2)(CCHH)(H)2	H(CCCH)	108.1955	2.504	2	108.1955	6.269	2	108.1955	6.269	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]N[4]2)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]N[4]2)(CCHH)(H)2	H(CCCH)	109.6060	0.049	2	109.6060	0.002	2	109.1750	0.114	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6]C[4])(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6]C[4])(CCHH)(H)2	H(CCCH)	109.0105	0.006	2	109.0105	0.000	2	109.1750	0.114	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]P[4])(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]P[4])(CCHH)(H)2	H(CCCH)	108.9085	0.032	2	108.9085	0.001	2	109.1750	0.114	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-3:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	H(CCCH)	108.8287	0.572	4	108.8287	0.327	4	108.8287	0.327	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:F-1:F-1:	C-4:	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(F)2	H(CCCH)	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(F)2	H(CCCH)	108.2925	0.071	4	108.2925	0.005	4	108.2925	0.005	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.9757	0.255	6	108.9757	0.065	6	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.0540	0.000	1	108.0540	0.000	1	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	108.7767	0.089	16	108.7767	0.008	16	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	108.6432	0.107	4	108.6432	0.011	4	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2)(CCHH)(H)2	H(CCCH)	108.7995	0.272	2	108.7995	0.074	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	108.9368	0.716	8	108.9368	0.512	8	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.6980	0.400	6	108.6980	0.160	6	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	107.9318	3.721	33	107.9318	13.843	33	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.8668	0.496	67	108.8668	0.246	67	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	109.1730	0.168	3	109.1730	0.028	3	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	H(CCCH)	109.4750	0.006	2	109.4750	0.000	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	108.9371	0.321	14	108.9371	0.103	14	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	109.1851	0.793	80	109.1851	0.628	80	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	H(CCCH)	108.4532	0.517	8	108.4532	0.267	8	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5])(CCHH)(H)2	H(CCCH)	108.8080	0.287	4	108.8080	0.083	4	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]Se[5]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]Se[5]C[5])(CCHH)(H)2	H(CCCH)	108.6149	0.342	15	108.6149	0.117	15	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]Si[5]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]Si[5]C[5])(CCHH)(H)2	H(CCCH)	108.9340	0.000	1	108.9340	0.000	1	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHN)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHN)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	108.6185	0.015	2	108.6185	0.000	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHS)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHS)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.4820	0.000	1	108.4820	0.000	1	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.7450	0.020	2	108.7450	0.000	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.6640	0.038	2	108.6640	0.001	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.9963	0.125	3	108.9963	0.016	3	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[4,5]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[4,5]C[5])(CCHH)(H)2	H(CCCH)	108.8038	0.099	4	108.8038	0.010	4	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	109.0483	0.167	35	109.0483	0.028	35	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	H(CCCH)	109.1500	0.000	1	109.1500	0.000	1	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]N[5])(CCHH)(H)2	H(CCCH)	108.4045	0.035	2	108.4045	0.001	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	H(CCCH)	109.3296	0.372	7	109.3296	0.138	7	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.4043	3.481	43	108.4043	12.118	43	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	106.5983	2.971	4	106.5983	8.825	4	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	H(CCCH)	108.4795	0.442	4	108.4795	0.195	4	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	109.0930	0.957	27	109.0930	0.917	27	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.5310	0.016	2	108.5310	0.000	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	107.5350	3.376	2	107.5350	11.396	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.9655	0.012	2	108.9655	0.000	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2520	0.011	2	109.2520	0.000	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.1495	0.036	2	109.1495	0.001	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	108.8047	0.153	4	108.8047	0.024	4	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	H(CCCH)	109.1270	0.159	3	109.1270	0.025	3	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.0500	0.052	2	108.0500	0.003	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)2(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.7494	0.201	14	108.7494	0.040	14	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)2(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	109.1621	0.569	21	109.1621	0.324	21	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	H(CCCH)	109.5525	1.404	6	109.5525	1.970	6	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.8085	0.091	2	108.8085	0.008	2	108.8160	2.555	469	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.2367	0.650	19	108.2367	0.422	19	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.6940	2.565	2	109.6940	6.581	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	108.8450	0.020	2	108.8450	0.000	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	H(CCCH)	108.7310	0.014	4	108.7310	0.000	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	H(CCCH)	109.4262	0.760	6	109.4262	0.577	6	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	108.7900	0.068	2	108.7900	0.005	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.2298	1.036	44	108.2298	1.073	44	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	108.8160	0.014	2	108.8160	0.000	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	H(CCCH)	109.5240	0.183	4	109.5240	0.034	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.1689	1.869	226	109.1689	3.493	226	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.5802	0.985	102	108.5802	0.971	102	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	109.1278	1.415	19	109.1278	2.002	19	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	108.8684	0.477	154	108.8684	0.227	154	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	109.2215	0.021	2	109.2215	0.000	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.9060	0.025	2	108.9060	0.001	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.1798	0.074	5	109.1798	0.005	5	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.0410	1.065	41	109.0410	1.135	41	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CCCH)	109.5968	0.373	4	109.5968	0.139	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	108.1615	0.008	2	108.1615	0.000	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.3115	0.025	2	109.3115	0.001	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	108.8147	0.621	6	108.8147	0.386	6	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.6210	0.016	2	108.6210	0.000	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.7695	0.026	2	108.7695	0.001	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CClHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CClHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CCCH)	109.0500	0.000	1	109.0500	0.000	1	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	109.0945	0.025	4	109.0945	0.001	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CCCH)	109.0060	0.066	2	109.0060	0.004	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.0283	0.226	6	109.0283	0.051	6	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	108.7760	0.265	4	108.7760	0.070	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.1815	0.232	22	109.1815	0.054	22	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.9359	0.583	29	108.9359	0.340	29	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	109.0480	0.000	1	109.0480	0.000	1	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	H(CCCH)	109.0840	0.028	2	109.0840	0.001	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	H(CCCH)	109.1440	0.023	2	109.1440	0.001	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	108.6555	0.031	4	108.6555	0.001	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.0611	0.417	38	109.0611	0.174	38	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	H(CCCH)	109.3670	0.034	2	109.3670	0.001	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.4440	0.016	2	108.4440	0.000	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.3905	0.099	4	108.3905	0.010	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.8395	0.382	11	108.8395	0.146	11	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	108.7357	0.164	4	108.7357	0.027	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.5282	1.263	4	109.5282	1.595	4	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.6732	0.414	12	108.6732	0.171	12	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.6801	0.586	20	108.6801	0.343	20	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	H(CCCH)	109.2420	1.456	17	109.2420	2.119	17	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	109.0741	0.262	11	109.0741	0.069	11	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHS)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHS)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.0245	0.064	2	109.0245	0.004	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)2(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)2(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.2386	1.456	12	108.2386	2.121	12	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)2(H)2	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)2(H)2	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	H(CCCH)	109.2055	0.011	2	109.2055	0.000	2	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)2(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)2(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.4548	0.075	6	109.4548	0.006	6	108.9126	1.414	878	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-3:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	H(CCCH)	109.8140	5.491	2	109.8140	30.155	2	109.8140	30.155	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.9815	2.616	2	108.9815	6.841	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.0115	0.008	2	109.0115	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.6080	0.018	2	108.6080	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4,6]C[6])(CCHH)(H)2	H(CCCH)	109.0110	0.011	2	109.0110	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	108.5160	0.000	1	108.5160	0.000	1	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CCCH)	109.0127	0.061	3	109.0127	0.004	3	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	H(CCCH)	109.0810	0.024	2	109.0810	0.001	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	108.7836	0.608	10	108.7836	0.370	10	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	H(CCCH)	105.5452	8.315	2	105.5452	69.145	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.2445	0.006	2	109.2445	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6])(CCHH)(H)2	H(CCCH)	108.6905	0.016	2	108.6905	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.5459	0.660	172	108.5459	0.436	172	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	108.7048	0.594	57	108.7048	0.352	57	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	108.9344	0.287	8	108.9344	0.082	8	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	H(CCCH)	109.0623	0.168	3	109.0623	0.028	3	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	109.1885	0.025	2	109.1885	0.001	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	H(CCCH)	108.4655	0.043	2	108.4655	0.002	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6])(CCHH)(H)2	H(CCCH)	108.7300	0.000	1	108.7300	0.000	1	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(H)2	H(CCCH)	108.1492	1.192	81	108.1492	1.420	81	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.8460	0.020	2	108.8460	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	H(CCCH)	109.0910	0.069	4	109.0910	0.005	4	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]C[6])(CCHH)(H)2	H(CCCH)	108.9750	0.000	1	108.9750	0.000	1	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.2022	0.070	4	109.2022	0.005	4	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2085	0.151	16	109.2085	0.023	16	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	109.3104	0.240	43	109.3104	0.057	43	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	109.2960	0.125	4	109.2960	0.016	4	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	H(CCCH)	109.2745	0.066	2	109.2745	0.004	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	H(CCCH)	109.4470	0.016	2	109.4470	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.7561	0.436	17	108.7561	0.190	17	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	108.9385	0.033	2	108.9385	0.001	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	108.8810	0.068	2	108.8810	0.005	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHP)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHP)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	108.6100	0.006	2	108.6100	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CSiHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CSiHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	109.0475	0.050	2	109.0475	0.003	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.4004	1.489	89	109.4004	2.216	89	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	108.9589	0.246	10	108.9589	0.060	10	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2169	0.337	32	109.2169	0.113	32	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	H(CCCH)	109.0350	0.006	2	109.0350	0.000	2	108.8003	1.045	592	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:	C(CC[6a]BrH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(Br)(H)	H(CCCH)	C(CC[6a]BrH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(Br)(H)	H(CCCH)	109.4695	0.012	2	109.4695	0.000	2	109.4695	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:F-1:F-1:	C-4:	C(CC[6a]FF)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(F)2	H(CCCH)	C(CC[6a]FF)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(F)2	H(CCCH)	108.0540	0.140	6	108.0540	0.020	6	108.0540	0.020	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	107.6535	0.008	2	107.6535	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.4460	0.000	1	108.4460	0.000	1	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[5,6]HN)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HN)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.2550	0.203	4	108.2550	0.041	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1745	0.009	2	109.1745	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.6747	0.092	3	108.6747	0.008	3	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HN)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[5a]HN)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7523	0.109	4	108.7523	0.012	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.5132	0.724	6	108.5132	0.524	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.6718	0.479	25	108.6718	0.229	25	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	108.6600	0.016	2	108.6600	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.1110	0.218	22	108.1110	0.048	22	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9458	0.293	6	108.9458	0.086	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CBHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CBHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7525	0.033	2	108.7525	0.001	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CB[5]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CB[5]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.6366	0.190	5	108.6366	0.036	5	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.8398	0.270	5	108.8398	0.073	5	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1870	1.961	21	109.1870	3.846	21	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	108.9285	3.166	2	108.9285	10.022	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.2210	0.272	6	108.2210	0.074	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.4927	0.579	15	108.4927	0.336	15	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.4894	2.948	16	109.4894	8.691	16	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	H(CCCH)	109.2537	0.287	4	109.2537	0.082	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	H(CCCH)	109.1270	0.219	4	109.1270	0.048	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	108.9075	0.203	11	108.9075	0.041	11	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	H(CCCH)	108.9790	0.139	3	108.9790	0.019	3	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.8473	0.312	85	108.8473	0.097	85	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]2)(CCHH)(H)2	H(CCCH)	108.7460	0.000	1	108.7460	0.000	1	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.0977	0.170	19	109.0977	0.029	19	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	H(CCCH)	109.4540	0.014	2	109.4540	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	109.6136	1.183	19	109.6136	1.399	19	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	H(CCCH)	109.1514	0.230	9	109.1514	0.053	9	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.1316	0.905	85	109.1316	0.818	85	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	H(CCCH)	109.0356	0.737	19	109.0356	0.543	19	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7462	1.459	778	108.7462	2.129	778	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	108.5629	1.409	80	108.5629	1.986	80	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	H(CCCH)	109.9322	1.085	4	109.9322	1.177	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.5210	0.016	2	108.5210	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.9595	0.178	8	108.9595	0.032	8	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0218	0.263	53	109.0218	0.069	53	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9391	0.672	26	108.9391	0.452	26	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHS)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHS)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0587	0.364	3	109.0587	0.133	3	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[3]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[3]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.4345	0.057	2	108.4345	0.003	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.5775	0.081	2	108.5775	0.007	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.5970	0.853	26	108.5970	0.728	26	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.8930	0.414	2	108.8930	0.172	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]CC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]CC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	106.9360	0.069	2	106.9360	0.005	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9543	0.146	6	108.9543	0.021	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1305	0.350	41	109.1305	0.123	41	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	109.3115	0.012	2	109.3115	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.5890	0.031	2	108.5890	0.001	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9123	0.142	3	108.9123	0.020	3	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7067	0.271	4	108.7067	0.074	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.3268	0.124	4	109.3268	0.015	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CClCC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CClCC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.5250	0.059	4	108.5250	0.003	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.1175	0.990	6	108.1175	0.981	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]B[6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]B[6a]C[6a])(CCHH)(H)2	H(CCCH)	109.0780	0.028	4	109.0780	0.001	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.2130	0.159	6	109.2130	0.025	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	H(CCCH)	109.0583	0.116	4	109.0583	0.014	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.0751	0.300	14	109.0751	0.090	14	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.2422	0.705	8	109.2422	0.497	8	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.0265	0.016	2	109.0265	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	108.9493	3.264	6	108.9493	10.653	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.1921	0.528	36	109.1921	0.279	36	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7268	1.270	117	108.7268	1.614	117	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	109.3103	0.420	19	109.3103	0.177	19	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	H(CCCH)	109.0596	0.268	8	109.0596	0.072	8	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]S[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]S[6a])(CCHH)(H)2	H(CCCH)	109.3215	0.033	2	109.3215	0.001	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.2168	0.067	5	109.2168	0.005	5	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.3448	0.016	4	108.3448	0.000	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a]2)(CCHH)(H)2	H(CCCH)	109.6099	1.582	10	109.6099	2.504	10	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	108.4785	1.534	10	108.4785	2.352	10	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.6347	0.106	4	109.6347	0.011	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.3795	0.624	57	109.3795	0.389	57	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	H(CCCH)	108.7845	0.011	2	108.7845	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.9485	0.398	2	108.9485	0.158	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9211	0.329	33	108.9211	0.109	33	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9285	0.029	2	108.9285	0.001	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHNO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHNO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9650	0.000	1	108.9650	0.000	1	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHNP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHNP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.2160	0.000	1	109.2160	0.000	1	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CIIN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CIIN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7680	0.004	2	108.7680	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CLiBH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CLiBH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1813	0.067	4	109.1813	0.005	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[4]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[4]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.3405	0.025	2	108.3405	0.001	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.6887	0.029	3	108.6887	0.001	3	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1539	0.229	15	109.1539	0.052	15	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]CC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.2837	0.038	4	108.2837	0.001	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1173	0.390	6	109.1173	0.152	6	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0607	0.218	17	109.0607	0.047	17	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	102.6231	11.263	2	102.6231	126.849	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1888	0.216	25	109.1888	0.047	25	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6a]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.1245	0.012	2	108.1245	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1021	0.419	7	109.1021	0.175	7	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CNiHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CNiHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	110.1580	0.000	1	110.1580	0.000	1	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(COsHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(COsHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1575	0.146	4	109.1575	0.021	4	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CP[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CP[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.3217	0.156	3	109.3217	0.024	3	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CPtCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CPtCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	110.0933	0.041	3	110.0933	0.002	3	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CSiHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CSiHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7005	1.066	2	108.7005	1.136	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)2(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	108.3035	2.300	8	108.3035	5.291	8	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	109.1605	0.124	11	109.1605	0.015	11	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.1390	1.786	338	108.1390	3.191	338	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	108.6975	0.022	2	108.6975	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.2190	0.020	2	109.2190	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7865	0.013	2	108.7865	0.000	2	108.7509	1.816	2292	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:	C(CC[6a]HO)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	H(CCCH)	C(CC[6a]HO)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	H(CCCH)	108.6713	0.242	6	108.6713	0.059	6	108.5427	0.099	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	H(CCCH)	108.1570	0.062	2	108.1570	0.004	2	108.5427	0.099	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	H(CCCH)	C(CCCH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	H(CCCH)	108.4560	0.000	1	108.4560	0.000	1	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[3]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[3]H)(CCHH)(H)2	H(CCCH)	108.6080	0.007	2	108.6080	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[3]S)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[3]S)(CCHH)(H)2	H(CCCH)	107.6813	3.055	4	107.6813	9.331	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[4]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[4]C)(CCHH)(H)2	H(CCCH)	109.4318	0.365	6	109.4318	0.133	6	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	H(CCCH)	108.8559	0.381	7	108.8559	0.145	7	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	H(CCCH)	108.8140	0.000	1	108.8140	0.000	1	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	108.9937	0.380	23	108.9937	0.144	23	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[5]S)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[5]S)(CCHH)(H)2	H(CCCH)	109.5655	0.006	2	109.5655	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[5a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[5a]C)(CCHH)(H)2	H(CCCH)	109.1455	0.584	28	109.1455	0.341	28	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	H(CCCH)	109.0031	1.370	17	109.0031	1.876	17	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	108.7070	0.352	6	108.7070	0.124	6	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6,6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6,6]C)(CCHH)(H)2	H(CCCH)	108.4548	0.088	4	108.4548	0.008	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	109.1546	0.427	28	109.1546	0.182	28	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.7880	1.859	51	108.7880	3.457	51	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6]Hf)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6]Hf)(CCHH)(H)2	H(CCCH)	109.3650	0.000	1	109.3650	0.000	1	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	109.1958	0.096	4	109.1958	0.009	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	108.8728	0.688	238	108.8728	0.473	238	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.7149	0.948	129	108.7149	0.899	129	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	108.8760	0.371	5	108.8760	0.138	5	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NP[5]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NP[5]C)(CCHH)(H)2	H(CCCH)	107.6866	1.484	8	107.6866	2.202	8	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NP[6]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NP[6]C)(CCHH)(H)2	H(CCCH)	108.5260	0.152	10	108.5260	0.023	10	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	H(CCCH)	108.3165	0.026	2	108.3165	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	H(CCCH)	108.4678	0.476	6	108.4678	0.227	6	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.2004	0.319	5	108.2004	0.102	5	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	108.7845	0.138	12	108.7845	0.019	12	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.1158	0.077	6	109.1158	0.006	6	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHN)(H)2	C(NC[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHN)(H)2	C(NC[5]O)(CCHH)(H)2	H(CCCH)	107.7000	1.400	4	107.7000	1.959	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	H(CCCH)	108.1575	0.100	2	108.1575	0.010	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	108.4820	0.016	2	108.4820	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]2H)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.9535	0.018	2	108.9535	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NB[5]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NB[5]2)(CCHH)(H)2	H(CCCH)	109.5065	0.028	2	109.5065	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NC[3x6]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NC[3x6]C[6a])(CCHH)(H)2	H(CCCH)	109.0040	0.010	2	109.0040	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	108.9410	0.011	2	108.9410	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	H(CCCH)	109.2745	0.033	2	109.2745	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	109.3175	0.049	4	109.3175	0.002	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	108.4395	1.079	16	108.4395	1.164	16	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	109.5920	0.000	1	109.5920	0.000	1	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CC[6a]HO)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.5295	0.011	2	109.5295	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	C(CC[6a]HO)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	108.7625	0.039	2	108.7625	0.002	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CClHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CClHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	108.8030	0.035	2	108.8030	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NB[5]2)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NB[5]2)(CCHH)(H)2	H(CCCH)	109.5620	0.014	2	109.5620	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[3]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[3]C)(CCHH)(H)2	H(CCCH)	109.4576	0.152	17	109.4576	0.023	17	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[4]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[4]C)(CCHH)(H)2	H(CCCH)	109.8618	0.081	4	109.8618	0.006	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	108.9745	0.011	2	108.9745	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[5a]S)(CCHH)(H)2	H(CCCH)	105.7390	0.007	2	105.7390	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	109.2198	0.226	4	109.2198	0.051	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6]S)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6]S)(CCHH)(H)2	H(CCCH)	109.1145	0.018	2	109.1145	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	109.2055	0.080	10	109.2055	0.006	10	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.1999	0.411	74	109.1999	0.169	74	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.9943	0.461	48	108.9943	0.213	48	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6a]Mg)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6a]Mg)(CCHH)(H)2	H(CCCH)	109.1085	0.040	4	109.1085	0.002	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(H)2	H(CCCH)	109.2902	0.104	6	109.2902	0.011	6	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NC[5a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NC[5a]C)(CCHH)(H)2	H(CCCH)	110.7770	0.027	2	110.7770	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.9483	0.109	8	108.9483	0.012	8	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.2920	0.025	2	109.2920	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.4586	0.900	12	108.4586	0.809	12	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.6190	0.034	2	108.6190	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.0065	0.687	14	109.0065	0.472	14	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	108.7255	0.023	2	108.7255	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NB[5a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NB[5a]H)(CCHH)(H)2	H(CCCH)	109.0100	0.021	3	109.0100	0.000	3	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[3]C)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[3]C)(CCHH)(H)2	H(CCCH)	108.4690	0.021	2	108.4690	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[5]H)(CCHH)(H)2	H(CCCH)	108.5113	0.016	4	108.5113	0.000	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.2715	0.105	2	108.2715	0.011	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6]O)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6]O)(CCHH)(H)2	H(CCCH)	109.1135	0.030	2	109.1135	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	108.9073	0.382	23	108.9073	0.146	23	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	108.4528	1.752	42	108.4528	3.071	42	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]Cu)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]Cu)(CCHH)(H)2	H(CCCH)	108.3340	3.178	4	108.3340	10.102	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	108.5627	0.373	14	108.5627	0.139	14	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]Pb)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]Pb)(CCHH)(H)2	H(CCCH)	108.1980	0.058	4	108.1980	0.003	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]Pt)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]Pt)(CCHH)(H)2	H(CCCH)	108.6185	0.074	2	108.6185	0.006	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]Re)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]Re)(CCHH)(H)2	H(CCCH)	109.1723	0.043	3	109.1723	0.002	3	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]S)(CCHH)(H)2	H(CCCH)	109.3741	3.392	12	109.3741	11.504	12	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]Sn)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]Sn)(CCHH)(H)2	H(CCCH)	108.3866	0.263	29	108.3866	0.069	29	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMgSi)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMgSi)(CCHH)(H)2	H(CCCH)	108.3020	0.247	8	108.3020	0.061	8	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(NC[6]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(NC[6]2)(CCHH)(H)2	H(CCCH)	109.1710	0.044	2	109.1710	0.002	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	109.1420	0.030	2	109.1420	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	H(CCCH)	109.1075	0.082	4	109.1075	0.007	4	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	H(CCCH)	108.7295	0.013	2	108.7295	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	H(CCCH)	109.3679	0.419	7	109.3679	0.176	7	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	H(CCCH)	109.1540	0.014	2	109.1540	0.000	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	H(CCCH)	108.4275	0.037	2	108.4275	0.001	2	108.8535	0.939	1043	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	108.4240	0.062	4	108.4240	0.004	4	109.0373	0.644	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CCHH)(H)2	C(N[4]P[4,6]2)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CCHH)(H)2	C(N[4]P[4,6]2)(CCHH)(H)2	H(CCCH)	109.5940	0.000	2	109.5940	0.000	2	109.0373	0.644	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,5]C[4])(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,5]C[4])(CCHH)(H)2	H(CCCH)	109.2140	0.523	4	109.2140	0.274	4	109.0373	0.644	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,6]C[4])(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,6]C[4])(CCHH)(H)2	H(CCCH)	109.3005	0.009	2	109.3005	0.000	2	109.0373	0.644	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	109.3655	0.233	4	109.3655	0.054	4	109.0373	0.644	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CN[6]HH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CN[6]HH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	108.7615	0.349	4	108.7615	0.122	4	109.0373	0.644	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)2(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)2(H)2	C(N[4]C[4]2)(CCHH)(H)2	H(CCCH)	109.0305	1.115	15	109.0305	1.243	15	109.0373	0.644	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:Cl-1:H-1:	C-4:	C(CN[5]ClH)(CClCC)(H)2	C(N[5]C[5]2)(CCHH)(Cl)(H)	H(CCCH)	C(CN[5]ClH)(CClCC)(H)2	C(N[5]C[5]2)(CCHH)(Cl)(H)	H(CCCH)	108.8425	0.033	2	108.8425	0.001	2	108.8425	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CB[5]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2753	0.298	6	109.2753	0.089	6	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CB[6,6]HH)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.1413	0.482	33	109.1413	0.232	33	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5,3x6]HH)(CN[5]HH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5,3x6]HH)(CN[5]HH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	107.8960	0.004	2	107.8960	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.5919	0.310	7	108.5919	0.096	7	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	108.2780	0.028	2	108.2780	0.001	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	109.3520	0.038	2	109.3520	0.001	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	109.1792	0.223	10	109.1792	0.050	10	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.7850	0.000	1	108.7850	0.000	1	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]CH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	108.2420	0.021	2	108.2420	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CBrCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CBrCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.9510	0.008	2	108.9510	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	108.9530	0.013	2	108.9530	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.8447	0.291	6	108.8447	0.085	6	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.0880	0.020	2	109.0880	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.2913	1.147	4	108.2913	1.317	4	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2225	0.032	2	109.2225	0.001	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCFF)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCFF)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.0295	0.042	2	109.0295	0.002	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]B[5]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]B[5]C[5])(CCHH)(H)2	H(CCCH)	109.4610	0.047	2	109.4610	0.002	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	H(CCCH)	108.6686	0.321	28	108.6686	0.103	28	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	H(CCCH)	109.4080	0.148	8	109.4080	0.022	8	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	108.9966	0.621	71	108.9966	0.385	71	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	H(CCCH)	109.2150	0.000	1	109.2150	0.000	1	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	109.3620	0.031	2	109.3620	0.001	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	109.0920	0.638	416	109.0920	0.408	416	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	H(CCCH)	109.3030	0.021	2	109.3030	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.9816	0.934	1265	108.9816	0.873	1265	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.9523	0.874	130	108.9523	0.764	130	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	H(CCCH)	108.3110	0.081	4	108.3110	0.007	4	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]P[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]P[5])(CCHH)(H)2	H(CCCH)	108.0330	5.465	2	108.0330	29.861	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	109.1333	0.547	14	109.1333	0.300	14	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	H(CCCH)	108.8020	0.273	6	108.8020	0.075	6	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.1719	0.716	9	109.1719	0.513	9	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	108.8125	0.023	2	108.8125	0.001	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.8415	0.012	2	108.8415	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[3x5]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[3x5]C[5])(CCHH)(H)2	H(CCCH)	108.7630	0.018	2	108.7630	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	H(CCCH)	108.9530	0.000	1	108.9530	0.000	1	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	H(CCCH)	109.2183	0.503	11	109.2183	0.253	11	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	109.3468	0.345	19	109.3468	0.119	19	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	106.8435	3.016	4	106.8435	9.099	4	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	109.2327	0.566	79	109.2327	0.321	79	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.1559	1.512	165	109.1559	2.285	165	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.7465	1.040	54	108.7465	1.081	54	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	H(CCCH)	107.6255	2.181	2	107.6255	4.759	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHI)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHI)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.6960	0.755	2	109.6960	0.570	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.1647	0.468	71	109.1647	0.219	71	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.5445	0.029	4	109.5445	0.001	4	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	H(CCCH)	109.0734	0.409	5	109.0734	0.167	5	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	109.2282	0.110	6	109.2282	0.012	6	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2176	0.570	20	109.2176	0.325	20	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHP)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHP)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.8637	0.550	10	109.8637	0.303	10	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	109.0006	0.462	19	109.0006	0.214	19	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.6638	1.108	27	108.6638	1.227	27	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.0370	0.033	2	109.0370	0.001	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CIrCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CIrCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.0730	0.011	2	109.0730	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.9174	0.470	23	108.9174	0.221	23	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.6400	0.000	1	109.6400	0.000	1	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CNiCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CNiCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2342	0.211	6	109.2342	0.044	6	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CReCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CReCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.4170	0.031	2	108.4170	0.001	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CRuCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CRuCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.4360	0.016	2	108.4360	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CSiHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CSiHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.3727	0.186	8	109.3727	0.035	8	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CSiHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CSiHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2390	0.829	2	109.2390	0.687	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CSn2H)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CSn2H)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.8330	0.006	2	108.8330	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	108.5698	0.450	52	108.5698	0.203	52	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	H(CCCH)	110.0100	1.792	4	110.0100	3.210	4	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)2(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	108.7512	0.545	187	108.7512	0.297	187	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)2(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.7856	0.303	15	108.7856	0.092	15	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(H)2	C(N[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)2(H)2	C(N[5]N[5]2)(CCHH)(H)2	H(CCCH)	108.8567	0.033	3	108.8567	0.001	3	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	H(CCCH)	109.2855	0.005	2	109.2855	0.000	2	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.1541	0.336	37	109.1541	0.113	37	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	H(CCCH)	109.0566	0.445	25	109.0566	0.198	25	108.9959	0.755	2925	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.2470	0.014	2	109.2470	0.000	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.8167	0.116	8	108.8167	0.013	8	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.2927	0.171	4	109.2927	0.029	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.1797	0.209	3	109.1797	0.044	3	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.0983	0.206	4	109.0983	0.043	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HO)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.7820	0.041	2	108.7820	0.002	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CBrHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CBrHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.8185	0.236	4	108.8185	0.056	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	108.7533	0.505	3	108.7533	0.256	3	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.7775	0.025	2	108.7775	0.001	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.9150	0.023	2	108.9150	0.001	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCFF)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCFF)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.2740	0.017	2	109.2740	0.000	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]2)(CCHH)(H)2	H(CCCH)	108.8952	0.271	25	108.8952	0.073	25	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	H(CCCH)	109.1935	0.319	14	109.1935	0.102	14	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	109.0297	0.492	13	109.0297	0.242	13	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	H(CCCH)	109.6995	0.042	2	109.6995	0.002	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	108.8660	0.805	177	108.8660	0.647	177	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	H(CCCH)	109.3320	0.176	5	109.3320	0.031	5	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	H(CCCH)	109.0218	0.110	14	109.0218	0.012	14	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.1172	1.417	115	109.1172	2.008	115	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.0270	0.184	21	109.0270	0.034	21	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.0788	0.650	135	109.0788	0.422	135	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.9603	0.704	99	108.9603	0.496	99	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.1890	0.356	20	109.1890	0.127	20	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	106.4585	1.448	4	106.4585	2.096	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CClHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CClHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.0288	0.339	4	109.0288	0.115	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	H(CCCH)	109.3315	0.100	11	109.3315	0.010	11	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	109.2368	0.045	4	109.2368	0.002	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	108.5795	0.013	2	108.5795	0.000	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.2561	0.560	24	109.2561	0.314	24	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	109.4365	0.039	2	109.4365	0.002	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.2340	1.008	26	109.2340	1.016	26	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.2060	3.246	4	108.2060	10.537	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	107.9045	0.030	2	107.9045	0.001	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.2216	0.538	39	109.2216	0.290	39	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.2248	0.894	4	109.2248	0.799	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	109.4600	0.099	4	109.4600	0.010	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.0345	0.018	2	109.0345	0.000	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.5806	0.308	8	109.5806	0.095	8	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.3882	0.289	6	109.3882	0.083	6	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.2710	0.006	2	109.2710	0.000	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	H(CCCH)	109.0030	0.304	3	109.0030	0.092	3	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.4400	1.346	2	108.4400	1.813	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	108.2020	0.000	1	108.2020	0.000	1	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.6820	0.030	2	108.6820	0.001	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	110.5340	0.973	2	110.5340	0.947	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	109.1397	0.123	4	109.1397	0.015	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.2698	0.201	22	109.2698	0.040	22	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	108.7925	0.082	4	108.7925	0.007	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.9756	0.546	8	108.9756	0.298	8	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	107.2773	2.587	4	107.2773	6.691	4	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.4918	0.166	6	109.4918	0.028	6	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[6a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	108.8831	0.265	12	108.8831	0.070	12	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CSiCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CSiCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	107.5830	0.007	2	107.5830	0.000	2	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	108.9040	0.000	1	108.9040	0.000	1	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	109.2388	0.344	6	109.2388	0.118	6	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	H(CCCH)	108.3049	0.058	8	108.3049	0.003	8	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	H(CCCH)	108.5122	3.082	11	108.5122	9.498	11	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	H(CCCH)	109.0902	0.454	20	109.0902	0.206	20	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	H(CCCH)	108.5781	0.148	21	108.5781	0.022	21	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	H(CCCH)	109.2432	0.273	13	109.2432	0.074	13	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	H(CCCH)	108.6717	0.695	41	108.6717	0.484	41	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)2(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	H(CCCH)	109.5097	1.055	6	109.5097	1.114	6	108.9982	0.776	1023	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(CH3)(H)2	C(N[6,6]C[6,6]2)(CCHH)(H)2	H(CCCH)	C(CN[6,6]HH)(CH3)(H)2	C(N[6,6]C[6,6]2)(CCHH)(H)2	H(CCCH)	109.1690	0.025	2	109.1690	0.001	2	109.1690	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[5,3x6]HH)(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,3x6]HH)(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	107.8415	0.006	2	107.8415	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HO)(CN[6]HH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6,6]HO)(CN[6]HH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	H(CCCH)	107.3285	0.016	2	107.3285	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.6125	0.008	2	108.6125	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[6]HH)(H)2	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[6]HH)(H)2	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	H(CCCH)	107.8350	0.071	4	107.8350	0.005	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	107.5293	3.309	3	107.5293	10.947	3	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.1099	0.585	12	108.1099	0.342	12	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2C)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]2C)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.4613	0.400	3	108.4613	0.160	3	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]2O)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2265	0.005	4	109.2265	0.000	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.1044	0.164	20	109.1044	0.027	20	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.8043	0.306	3	108.8043	0.094	3	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.8582	0.518	20	108.8582	0.269	20	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	111.0190	2.746	4	111.0190	7.541	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.1380	0.010	2	109.1380	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBrCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBrCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.5955	0.005	2	108.5955	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBrHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBrHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.1850	0.040	2	109.1850	0.002	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.1907	0.072	4	109.1907	0.005	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.7689	0.511	9	108.7689	0.261	9	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	H(CCCH)	108.7680	0.011	2	108.7680	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	H(CCCH)	109.1705	0.013	2	109.1705	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	108.3630	0.010	2	108.3630	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	H(CCCH)	109.0920	0.000	1	109.0920	0.000	1	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	108.9565	0.514	12	108.9565	0.264	12	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	109.0656	1.114	58	109.0656	1.241	58	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	H(CCCH)	108.7361	0.298	15	108.7361	0.089	15	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.2626	0.564	36	109.2626	0.318	36	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.0152	1.225	655	109.0152	1.502	655	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	109.1650	0.366	3	109.1650	0.134	3	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	109.5720	0.051	2	109.5720	0.003	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	H(CCCH)	108.7681	1.195	31	108.7681	1.429	31	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	109.3810	0.054	2	109.3810	0.003	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	H(CCCH)	109.4440	0.017	2	109.4440	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[5,6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[5,6]2)(CCHH)(H)2	H(CCCH)	108.6640	0.000	1	108.6640	0.000	1	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	108.9964	0.250	5	108.9964	0.062	5	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	109.5525	0.426	41	109.5525	0.182	41	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	H(CCCH)	109.4280	0.006	2	109.4280	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.5882	0.742	15	109.5882	0.550	15	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]S[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]S[6])(CCHH)(H)2	H(CCCH)	108.5178	0.738	4	108.5178	0.544	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2444	0.595	99	109.2444	0.353	99	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	H(CCCH)	109.2820	0.254	7	109.2820	0.065	7	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	109.3873	0.061	3	109.3873	0.004	3	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	H(CCCH)	109.1273	0.047	3	109.1273	0.002	3	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHI)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHI)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	108.9670	0.014	2	108.9670	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	108.8053	0.324	6	108.8053	0.105	6	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	108.4900	0.000	1	108.4900	0.000	1	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2466	1.173	62	109.2466	1.375	62	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	H(CCCH)	109.1765	0.045	2	109.1765	0.002	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	108.7630	0.013	2	108.7630	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.2515	1.205	44	109.2515	1.453	44	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	H(CCCH)	109.0745	0.025	2	109.0745	0.001	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	H(CCCH)	109.2370	0.027	2	109.2370	0.001	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.3930	4.426	2	109.3930	19.594	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	108.8282	1.634	8	108.8282	2.669	8	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CO[4]HH)(H)2	C(N[6]Ga[6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CO[4]HH)(H)2	C(N[6]Ga[6]C[6])(CCHH)(H)2	H(CCCH)	109.4115	0.013	2	109.4115	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CSiHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CSiHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	109.2755	0.016	2	109.2755	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	H(CCCH)	108.8702	3.022	4	108.8702	9.131	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	109.4850	0.011	4	109.4850	0.000	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	H(CCCH)	110.0360	0.132	4	110.0360	0.017	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	H(CCCH)	109.4672	0.024	4	109.4672	0.001	4	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]C[6]2)(CCHH)(H)2	H(CCCH)	109.5317	0.464	39	109.5317	0.215	39	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]C[6]P[6])(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]C[6]P[6])(CCHH)(H)2	H(CCCH)	108.2635	0.005	2	108.2635	0.000	2	109.0789	1.192	1295	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.0512	0.433	6	109.0512	0.188	6	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.3780	0.008	2	109.3780	0.000	2	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.8673	0.282	12	108.8673	0.080	12	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	H(CCCH)	109.2447	0.333	11	109.2447	0.111	11	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	H(CCCH)	109.1523	0.034	4	109.1523	0.001	4	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.3132	0.317	5	109.3132	0.100	5	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	108.9348	0.350	26	108.9348	0.122	26	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	H(CCCH)	109.5545	0.053	2	109.5545	0.003	2	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.1818	1.082	18	109.1818	1.170	18	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.7297	3.988	115	108.7297	15.905	115	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	H(CCCH)	109.3157	0.296	3	109.3157	0.088	3	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	H(CCCH)	108.9410	0.000	1	108.9410	0.000	1	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.1960	1.516	6	109.1960	2.297	6	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.6675	0.005	2	109.6675	0.000	2	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	109.3800	0.283	24	109.3800	0.080	24	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.1165	0.305	6	109.1165	0.093	6	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.1808	0.590	12	109.1808	0.348	12	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHN)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CHHN)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	H(CCCH)	108.8912	0.653	4	108.8912	0.427	4	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.7260	0.016	2	109.7260	0.000	2	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	110.3930	2.847	2	110.3930	8.104	2	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0348	0.387	10	109.0348	0.150	10	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CN[5]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CN[5]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0230	0.505	24	109.0230	0.255	24	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)2(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)2(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	H(CCCH)	109.7705	0.006	2	109.7705	0.000	2	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)2(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)2(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	H(CCCH)	108.9433	0.043	4	108.9433	0.002	4	108.9912	6.281	303	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OC[6a]V)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OC[6a]V)(CCHH)(H)2	H(CCCH)	108.9350	0.000	1	108.9350	0.000	1	108.4864	0.062	14	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(OC[6]Li)(CCHH)(H)2	H(CCCH)	C(CHHO)2(H)2	C(OC[6]Li)(CCHH)(H)2	H(CCCH)	108.4806	0.227	8	108.4806	0.052	8	108.4864	0.062	14	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(OC[6a]Li)(CCHH)(H)2	H(CCCH)	C(CHHO)2(H)2	C(OC[6a]Li)(CCHH)(H)2	H(CCCH)	108.4058	0.226	5	108.4058	0.051	5	108.4864	0.062	14	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CO[4]HH)(H)2	C(O[4]Ga[4]2)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CO[4]HH)(H)2	C(O[4]Ga[4]2)(CCHH)(H)2	H(CCCH)	109.3940	0.014	2	109.3940	0.000	2	109.4565	0.006	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:	C(CO[4]HH)(CHHN)(H)2	C(O[4]In[4]2)(CCHH)(H)2	H(CCCH)	C(CO[4]HH)(CHHN)(H)2	C(O[4]In[4]2)(CCHH)(H)2	H(CCCH)	109.5190	0.030	2	109.5190	0.001	2	109.4565	0.006	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	O[5]-3:C-4:H-1:H-1:	C-4:	C(CO[5]HH)(CCHH)(H)2	C(O[5]B[5]2)(CCHH)(H)2	H(CCCH)	C(CO[5]HH)(CCHH)(H)2	C(O[5]B[5]2)(CCHH)(H)2	H(CCCH)	110.1870	0.035	2	110.1870	0.001	2	110.1870	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	109.2600	0.006	2	109.2600	0.000	2	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]C)(CCHH)(H)2	H(CCCH)	108.9882	3.054	12	108.9882	9.324	12	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]O)(CCHH)(H)2	H(CCCH)	109.0265	0.695	2	109.0265	0.483	2	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	108.8830	0.011	2	108.8830	0.000	2	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CFeHH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	C(CFeHH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	109.3750	0.041	2	109.3750	0.002	2	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	H(CCCH)	109.1225	0.011	2	109.1225	0.000	2	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PC[6a]C[3])(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PC[6a]C[3])(CCHH)(H)2	H(CCCH)	109.2770	0.083	4	109.2770	0.007	4	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6]C)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6]C)(CCHH)(H)2	H(CCCH)	108.5400	0.004	2	108.5400	0.000	2	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]C)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]C)(CCHH)(H)2	H(CCCH)	109.4499	3.139	8	109.4499	9.852	8	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]H)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]H)(CCHH)(H)2	H(CCCH)	109.0940	1.645	2	109.0940	2.705	2	109.1360	4.781	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-3:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CH3)(H)2	C(P[5]P[5]2)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CH3)(H)2	C(P[5]P[5]2)(CCHH)(H)2	H(CCCH)	108.9460	0.035	2	108.9460	0.001	2	108.9460	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHS)(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	C(CCCH)(CHHS)(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	108.2695	0.019	2	108.2695	0.000	2	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[6a]Ag)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[6a]Ag)(CCHH)(H)2	H(CCCH)	109.3470	0.218	3	109.3470	0.047	3	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[6a]C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[6a]C)(CCHH)(H)2	H(CCCH)	108.9552	0.527	6	108.9552	0.278	6	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	108.1885	0.059	2	108.1885	0.003	2	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	108.5205	0.069	2	108.5205	0.005	2	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	108.6870	0.065	4	108.6870	0.004	4	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(SPdRh)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(SPdRh)(CCHH)(H)2	H(CCCH)	108.5906	0.186	14	108.5906	0.035	14	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(SC[5]W)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(SC[5]W)(CCHH)(H)2	H(CCCH)	108.2895	0.087	2	108.2895	0.008	2	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(SC[6a]Rh)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(SC[6a]Rh)(CCHH)(H)2	H(CCCH)	108.8863	0.440	3	108.8863	0.193	3	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(SC[6]O)(CCHH)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(SC[6]O)(CCHH)(H)2	H(CCCH)	107.9955	0.585	2	107.9955	0.342	2	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[5]Cu)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[5]Cu)(CCHH)(H)2	H(CCCH)	107.0688	6.597	6	107.0688	43.518	6	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6]Cu)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6]Cu)(CCHH)(H)2	H(CCCH)	109.0424	2.241	8	109.0424	5.022	8	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6]Ni)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6]Ni)(CCHH)(H)2	H(CCCH)	108.3295	2.207	19	108.3295	4.869	19	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6a]Co)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6a]Co)(CCHH)(H)2	H(CCCH)	108.5263	0.028	4	108.5263	0.001	4	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6a]O)(CCHH)(H)2	H(CCCH)	109.6093	0.026	3	109.6093	0.001	3	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6a]Ru)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6a]Ru)(CCHH)(H)2	H(CCCH)	107.8730	0.272	7	107.8730	0.074	7	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SCoNi)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SCoNi)(CCHH)(H)2	H(CCCH)	108.5709	0.154	14	108.5709	0.024	14	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SCuNi)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SCuNi)(CCHH)(H)2	H(CCCH)	107.7742	0.118	6	107.7742	0.014	6	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SFeMo)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SFeMo)(CCHH)(H)2	H(CCCH)	108.8150	0.072	4	108.8150	0.005	4	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SFeNi)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SFeNi)(CCHH)(H)2	H(CCCH)	108.0427	0.472	41	108.0427	0.223	41	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SFePd)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SFePd)(CCHH)(H)2	H(CCCH)	108.5240	0.045	3	108.5240	0.002	3	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CPdCH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	C(CPdCH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	109.4075	0.018	2	109.4075	0.000	2	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	H(CCCH)	108.6865	0.147	4	108.6865	0.022	4	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pt)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pt)(CCHH)(H)2	H(CCCH)	108.6643	0.060	3	108.6643	0.004	3	108.3769	2.400	164	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeCH)(CSeHH)(H)2	C(SeFe2)(CCHH)(H)2	H(CCCH)	C(CSeCH)(CSeHH)(H)2	C(SeFe2)(CCHH)(H)2	H(CCCH)	106.2512	2.102	4	106.2512	4.419	4	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(SeGaC)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(SeGaC)(CCHH)(H)2	H(CCCH)	109.1835	0.040	2	109.1835	0.002	2	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(SePdRh)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(SePdRh)(CCHH)(H)2	H(CCCH)	108.6700	0.021	2	108.6700	0.000	2	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(SeSnC)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(SeSnC)(CCHH)(H)2	H(CCCH)	108.5330	0.011	2	108.5330	0.000	2	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pd)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pd)(CCHH)(H)2	H(CCCH)	108.3880	0.055	3	108.3880	0.003	3	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pt)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pt)(CCHH)(H)2	H(CCCH)	108.8240	0.000	1	108.8240	0.000	1	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHO)(H)2	C(SeMoC)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHO)(H)2	C(SeMoC)(CCHH)(H)2	H(CCCH)	108.7440	0.215	4	108.7440	0.046	4	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(SeC[5]Pd)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(SeC[5]Pd)(CCHH)(H)2	H(CCCH)	108.7370	0.087	4	108.7370	0.008	4	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(SeC[5]Pt)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(SeC[5]Pt)(CCHH)(H)2	H(CCCH)	108.6197	0.025	4	108.6197	0.001	4	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeC[5]Cu)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeC[5]Cu)(CCHH)(H)2	H(CCCH)	105.8768	1.286	4	105.8768	1.654	4	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeC[5]Pd)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeC[5]Pd)(CCHH)(H)2	H(CCCH)	108.6690	0.313	8	108.6690	0.098	8	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeC[5]Pt)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeC[5]Pt)(CCHH)(H)2	H(CCCH)	108.2253	0.036	3	108.2253	0.001	3	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeC[6a]Pd)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeC[6a]Pd)(CCHH)(H)2	H(CCCH)	108.8727	0.129	4	108.8727	0.017	4	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeCuC)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeCuC)(CCHH)(H)2	H(CCCH)	107.1821	1.602	8	107.1821	2.565	8	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeFeNi)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeFeNi)(CCHH)(H)2	H(CCCH)	107.7875	5.308	8	107.7875	28.176	8	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeMnC)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeMnC)(CCHH)(H)2	H(CCCH)	108.0739	2.250	8	108.0739	5.062	8	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SePdC)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SePdC)(CCHH)(H)2	H(CCCH)	108.5427	0.311	4	108.5427	0.097	4	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(SeReC)(CCHH)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(SeReC)(CCHH)(H)2	H(CCCH)	107.5932	1.705	8	107.5932	2.909	8	108.0057	4.338	81	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-3:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiC[6a]Si)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiC[6a]Si)(CCHH)(H)2	H(CCCH)	108.3730	0.042	2	108.3730	0.002	2	108.3730	0.002	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:I-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)(I)	C(C[6a]C[6a]2)(CCHI)(H)2	H(CCCI)	C(CC[6a]HH)(CCHH)(H)(I)	C(C[6a]C[6a]2)(CCHI)(H)2	H(CCCI)	107.3800	0.000	1	107.3800	0.000	1	107.3800	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:I-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)(I)	C(NC[6a]S)(CCHI)(H)2	H(CCCI)	C(CHHN)(CH3)(H)(I)	C(NC[6a]S)(CCHI)(H)2	H(CCCI)	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:I-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CHHO)(H)(I)	C(N[4]C[4]2)(CCHI)(H)2	H(CCCI)	C(CN[4]HH)(CHHO)(H)(I)	C(N[4]C[4]2)(CCHI)(H)2	H(CCCI)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:O-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCCH)(H)(O)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CCCH)(H)(O)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	107.1715	0.425	2	107.1715	0.181	2	107.1715	0.181	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:S-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)(S)	C(N[5a]C[5a]2)(CCHS)(H)2	H(CCCS)	C(CN[5a]HH)(CH3)(H)(S)	C(N[5a]C[5a]2)(CCHS)(H)2	H(CCCS)	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:Ge-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(GeCl2C)(H)2	C(C[6a]C[6a]2)(CGeHH)(H)2	H(CGeCH)	C(CC[6a]HH)(GeCl2C)(H)2	C(C[6a]C[6a]2)(CGeHH)(H)2	H(CGeCH)	108.4613	0.633	4	108.4613	0.401	4	108.4613	0.401	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CC[5a]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CC[5a]O)(CHHN)(H)2	H(CCHN)	108.8290	0.021	2	108.8290	0.000	2	109.2079	0.196	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CC[6]H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CC[6]H)(CHHN)(H)2	H(CCHN)	108.8663	0.082	4	108.8663	0.007	4	109.2079	0.196	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	109.0559	0.354	7	109.0559	0.125	7	109.2079	0.196	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CC[6a]O)(CHHN)(H)2	H(CCHN)	109.7393	0.172	6	109.7393	0.029	6	109.2079	0.196	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCoHH)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCoHH)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	109.3457	0.094	4	109.3457	0.009	4	109.1771	0.359	65	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCuCC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCuCC)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.6905	0.166	20	108.6905	0.028	20	109.1771	0.359	65	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCuHH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCuHH)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.4680	0.102	3	109.4680	0.010	3	109.1771	0.359	65	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCuHH)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCuHH)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	109.7040	0.044	2	109.7040	0.002	2	109.1771	0.359	65	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.6533	0.718	20	109.6533	0.515	20	109.1771	0.359	65	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NH3)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NH3)(H)2	C(C[5]N[5]2)(CHHN)(H)2	H(CCHN)	109.5435	0.368	4	109.5435	0.135	4	109.1771	0.359	65	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NZnCC)(H)2	C(C[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NZnCC)(H)2	C(C[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8558	0.146	12	108.8558	0.021	12	109.1771	0.359	65	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NC3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NC3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	108.5971	0.251	11	108.5971	0.063	11	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	108.8922	0.203	28	108.8922	0.041	28	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	109.5440	0.027	2	109.5440	0.001	2	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NFeCC)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NFeCC)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	H(CCHN)	108.4020	0.013	2	108.4020	0.000	2	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	109.2265	0.023	2	109.2265	0.001	2	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	110.3067	1.146	29	110.3067	1.314	29	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NH3)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.4970	0.658	2	109.4970	0.432	2	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NPdCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	C(CC[5a]HH)(NPdCC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	H(CCHN)	108.4447	1.933	12	108.4447	3.736	12	109.2854	1.496	88	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	111.7105	0.416	2	111.7105	0.173	2	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCHH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.4859	0.209	12	109.4859	0.044	12	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCoCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCoCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.8750	0.201	21	108.8750	0.040	21	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCoCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCoCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.7687	0.026	3	108.7687	0.001	3	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCrCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCrCO)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	110.2848	0.933	4	110.2848	0.870	4	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCuCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCuCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.4290	2.578	91	109.4290	6.645	91	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCuCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCuCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.9453	0.287	7	108.9453	0.082	7	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NFeCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NFeCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.6711	0.323	7	108.6711	0.104	7	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NFeCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NFeCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	110.5790	1.899	4	110.5790	3.608	4	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.4239	0.148	9	109.4239	0.022	9	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NH3)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.4810	0.399	5	109.4810	0.159	5	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NMnCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NMnCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.1465	0.021	2	109.1465	0.000	2	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NNiCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NNiCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.3696	0.730	69	108.3696	0.533	69	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NNiCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NNiCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.2341	0.113	7	109.2341	0.013	7	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NPtCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NPtCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.3760	0.013	2	109.3760	0.000	2	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NReHH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NReHH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.3685	0.009	2	109.3685	0.000	2	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NRuCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NRuCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.5572	0.357	27	108.5572	0.127	27	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NZnCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NZnCC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.2352	1.025	12	109.2352	1.051	12	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NZnCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NZnCH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	109.2223	0.044	4	109.2223	0.002	4	109.0470	2.612	290	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NBiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NBiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.3129	0.205	11	108.3129	0.042	11	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NC3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NC3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.6010	0.143	5	108.6010	0.021	5	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	H(CCHN)	110.1030	1.615	4	110.1030	2.607	4	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.9725	0.042	2	108.9725	0.002	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.8904	2.626	18	108.8904	6.894	18	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCaCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCaCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	107.9775	0.067	2	107.9775	0.005	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCdHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCdHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	107.5570	2.584	6	107.5570	6.676	6	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCuCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.9025	1.254	14	108.9025	1.572	14	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCuCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	107.6020	0.038	2	107.6020	0.001	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NCuHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.7732	0.233	10	108.7732	0.054	10	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.3913	0.653	240	109.3913	0.427	240	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NIrHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NIrHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.8655	0.022	2	109.8655	0.000	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NLiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NLiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.6310	0.000	1	108.6310	0.000	1	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NMnCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NMnCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	108.5943	0.073	4	108.5943	0.005	4	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NNiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.6585	1.750	4	108.6585	3.062	4	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPdCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.6445	0.006	2	108.6445	0.000	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPdCC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	107.5890	0.037	2	107.5890	0.001	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPdCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.3616	0.280	5	109.3616	0.078	5	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPdHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.3629	0.179	20	109.3629	0.032	20	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPtCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPtCC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.9125	0.009	2	108.9125	0.000	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPtCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NPtCH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.7075	0.005	2	108.7075	0.000	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NZnCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NZnCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	H(CCHN)	109.7925	0.028	2	109.7925	0.001	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NZnHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CC[6a]HH)(NZnHH)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	109.4375	0.036	2	109.4375	0.001	2	109.2078	0.984	362	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NC3)(H)2	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NC3)(H)2	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	108.0845	0.026	2	108.0845	0.001	2	109.3097	1.049	50	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(NC[4]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(NC[4]H)(CHHN)(H)2	H(CCHN)	108.7622	0.171	6	108.7622	0.029	6	109.3097	1.049	50	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(NC[4a]H)(CHHN)(H)2	H(CCHN)	108.6280	0.010	2	108.6280	0.000	2	109.3097	1.049	50	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(NC[6]H)(CHHN)(H)2	H(CCHN)	108.6980	0.069	6	108.6980	0.005	6	109.3097	1.049	50	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.4380	0.708	20	109.4380	0.501	20	109.3097	1.049	50	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	111.5385	2.102	4	111.5385	4.418	4	109.3097	1.049	50	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	109.2384	0.150	10	109.2384	0.023	10	109.3097	1.049	50	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NBCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NBCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.1815	0.053	2	109.1815	0.003	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NBHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NBHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8930	0.028	2	108.8930	0.001	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.5865	0.008	2	108.5865	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	H(CCHN)	109.4110	0.108	4	109.4110	0.012	4	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.0715	0.025	2	109.0715	0.001	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCoCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCoCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8608	0.385	29	108.8608	0.148	29	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCoCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCoCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.6394	0.418	28	108.6394	0.175	28	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCoCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCoCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.0453	0.020	3	109.0453	0.000	3	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCrCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCrCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	107.9430	0.000	1	107.9430	0.000	1	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCuCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCuCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	109.0653	0.233	7	109.0653	0.054	7	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCuCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCuCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.3006	0.146	7	109.3006	0.021	7	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NH3)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NH3)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.3588	0.333	6	109.3588	0.111	6	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NLiCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NLiCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.2487	0.042	3	109.2487	0.002	3	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NMnCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NMnCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.7593	0.325	24	108.7593	0.105	24	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NNiCC)(H)2	C(N[5]C[5,6a]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NNiCC)(H)2	C(N[5]C[5,6a]N[5])(CHHN)(H)2	H(CCHN)	108.7190	0.447	8	108.7190	0.200	8	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NNiCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NNiCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.6905	0.021	2	108.6905	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NNiCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NNiCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.1093	0.085	4	109.1093	0.007	4	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NNiCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NNiCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.2767	0.189	4	109.2767	0.036	4	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NPdCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NPdCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.1025	0.036	2	109.1025	0.001	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NPdCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NPdCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.0235	0.053	2	109.0235	0.003	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NPdCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NPdCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.0935	0.043	4	109.0935	0.002	4	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NPdCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NPdCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.2072	0.197	26	109.2072	0.039	26	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NPdHH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NPdHH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.9110	0.020	2	108.9110	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NPtHH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NPtHH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.6830	0.034	2	109.6830	0.001	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NReCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NReCC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.5488	0.081	6	108.5488	0.007	6	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NReCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NReCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.6220	0.093	5	108.6220	0.009	5	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NReCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NReCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.7783	0.397	9	108.7783	0.158	9	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5,6a]C[5])(CHHN)(H)2	H(CCHN)	109.3700	0.016	2	109.3700	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8460	0.747	4	108.8460	0.558	4	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.9875	0.013	2	109.9875	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NRuHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NRuHH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	109.5700	0.207	4	109.5700	0.043	4	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NZn2C)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NZn2C)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.7864	0.102	5	108.7864	0.010	5	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NZnCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NZnCC)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	108.7075	0.012	2	108.7075	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NZnCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NZnCH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.2835	0.009	2	109.2835	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NZnHH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NZnHH)(H)2	C(N[5]C[5]N[5])(CHHN)(H)2	H(CCHN)	109.2755	0.008	2	109.2755	0.000	2	108.9492	0.169	219	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a,6a]N[5a])(CHHN)(H)2	H(CCHN)	109.2735	0.039	2	109.2735	0.002	2	109.3689	1.107	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	108.7030	0.027	2	108.7030	0.001	2	109.3689	1.107	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NCHH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NCHH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.5135	2.556	2	109.5135	6.534	2	109.3689	1.107	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NH3)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NH3)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	110.0913	1.405	4	110.0913	1.975	4	109.3689	1.107	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NPdCH)(H)2	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NPdCH)(H)2	C(N[5a]C[5a,6]C[5a])(CHHN)(H)2	H(CCHN)	109.1013	0.288	3	109.1013	0.083	3	109.3689	1.107	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NZn2C)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NZn2C)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	108.5125	0.008	2	108.5125	0.000	2	109.3689	1.107	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(NZnCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	C(CN[5a]HH)(NZnCH)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	H(CCHN)	109.7985	0.022	2	109.7985	0.000	2	109.3689	1.107	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(NGaHH)(H)2	C(N[6,6]C[6,6]2)(CHHN)(H)2	H(CCHN)	C(CN[6,6]HH)(NGaHH)(H)2	C(N[6,6]C[6,6]2)(CHHN)(H)2	H(CCHN)	109.7300	0.010	2	109.7300	0.000	2	109.7300	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.4327	0.224	4	109.4327	0.050	4	109.3735	0.655	52	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCHH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.8580	0.007	2	109.8580	0.000	2	109.3735	0.655	52	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.3580	0.871	44	109.3580	0.759	44	109.3735	0.655	52	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NIrCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NIrCH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	H(CCHN)	109.1095	0.016	2	109.1095	0.000	2	109.3735	0.655	52	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(NC3)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CCHN)	C(CN[6a]HH)(NC3)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	H(CCHN)	108.6725	0.046	2	108.6725	0.002	2	108.5805	0.012	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(NCCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	C(CN[6a]HH)(NCCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	H(CCHN)	108.4885	0.016	2	108.4885	0.000	2	108.5805	0.012	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NCuCC)(H)2	C(SeC[5]Cu)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NCuCC)(H)2	C(SeC[5]Cu)(CHHN)(H)2	H(CCHN)	108.9128	0.152	12	108.9128	0.023	12	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NCuCH)(H)2	C(SeC[6a]Cu)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NCuCH)(H)2	C(SeC[6a]Cu)(CHHN)(H)2	H(CCHN)	110.0310	0.040	2	110.0310	0.002	2	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NMnCH)(H)2	C(SeC[6a]Mn)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NMnCH)(H)2	C(SeC[6a]Mn)(CHHN)(H)2	H(CCHN)	109.4070	0.000	1	109.4070	0.000	1	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NMnCH)(H)2	C(SeMnC)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NMnCH)(H)2	C(SeMnC)(CHHN)(H)2	H(CCHN)	109.3780	0.017	2	109.3780	0.000	2	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NPdCC)(H)2	C(SeC[5]Pd)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NPdCC)(H)2	C(SeC[5]Pd)(CHHN)(H)2	H(CCHN)	108.9570	0.096	4	108.9570	0.009	4	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NPdCH)(H)2	C(SeC[6a]Pd)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NPdCH)(H)2	C(SeC[6a]Pd)(CHHN)(H)2	H(CCHN)	109.4118	0.259	5	109.4118	0.067	5	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NPtHH)(H)2	C(SeC[6a]Pt)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NPtHH)(H)2	C(SeC[6a]Pt)(CHHN)(H)2	H(CCHN)	109.8900	0.049	2	109.8900	0.002	2	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NPtHH)(H)2	C(SePtC)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NPtHH)(H)2	C(SePtC)(CHHN)(H)2	H(CCHN)	109.6550	0.010	2	109.6550	0.000	2	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NRhHH)(H)2	C(SeRhSe)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NRhHH)(H)2	C(SeRhSe)(CHHN)(H)2	H(CCHN)	109.2768	0.323	6	109.2768	0.104	6	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:N-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)(NRuCH)(H)2	C(SeC[6a]Ru)(CHHN)(H)2	H(CCHN)	C(CSeHH)(NRuCH)(H)2	C(SeC[6a]Ru)(CHHN)(H)2	H(CCHN)	109.3625	0.039	2	109.3625	0.002	2	109.2511	0.145	38	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:O-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(ONi3)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	C(CC[6]HH)(ONi3)(H)2	C(C[6]C[6]N[6])(CHHO)(H)2	H(CCHO)	109.1177	0.225	7	109.1177	0.051	7	109.1177	0.051	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:O-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(ONi3)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	C(CN[5]HH)(ONi3)(H)2	C(N[5]C[5]N[5])(CHHO)(H)2	H(CCHO)	108.9237	0.114	4	108.9237	0.013	4	108.9237	0.013	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:Cl-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	H(CClCP)	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	H(CClCP)	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(PC[6a]2Re)(H)2	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CCHP)	C(CB[6,6]HH)(PC[6a]2Re)(H)2	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CCHP)	108.7412	0.487	5	108.7412	0.237	5	108.9801	0.310	10	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(PC[6a]2Rh)(H)2	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CCHP)	C(CB[6,6]HH)(PC[6a]2Rh)(H)2	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CCHP)	108.9357	0.578	3	108.9357	0.334	3	108.9801	0.310	10	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(PC[6a]2Ru)(H)2	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CCHP)	C(CB[6,6]HH)(PC[6a]2Ru)(H)2	C(B[6,6]C[6,6]2)(CHHP)(H)2	H(CCHP)	109.6440	0.013	2	109.6440	0.000	2	108.9801	0.310	10	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PO3)(H)2	C(C[5]N[5]2)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PO3)(H)2	C(C[5]N[5]2)(CHHP)(H)2	H(CCHP)	109.2327	1.184	6	109.2327	1.401	6	109.2327	1.401	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(PO3)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	C(CC[6]HH)(PO3)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	110.5957	1.950	4	110.5957	3.804	4	110.5957	3.804	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PBCC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	C(CC[6a]HH)(PBCC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	109.1255	0.018	4	109.1255	0.000	4	108.2293	1.396	28	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PCCO)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	C(CC[6a]HH)(PCCO)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	109.0447	0.461	4	109.0447	0.213	4	108.2293	1.396	28	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PC[6]BC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	C(CC[6a]HH)(PC[6]BC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	109.0665	0.040	2	109.0665	0.002	2	108.2293	1.396	28	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PO3)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	H(CCHP)	C(CC[6a]HH)(PO3)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	H(CCHP)	109.0297	0.386	6	109.0297	0.149	6	108.2293	1.396	28	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PRhCC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	C(CC[6a]HH)(PRhCC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	106.5500	0.586	8	106.5500	0.343	8	108.2293	1.396	28	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PSe2C)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	C(CC[6a]HH)(PSe2C)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	108.2570	0.276	4	108.2570	0.076	4	108.2293	1.396	28	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(PCCN)(H)2	C(NC[6a]Co)(CHHP)(H)2	H(CCHP)	C(CHHN)(PCCN)(H)2	C(NC[6a]Co)(CHHP)(H)2	H(CCHP)	107.8475	0.023	2	107.8475	0.001	2	107.8475	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(PNiCC)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(CN[5]HH)(PNiCC)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	108.7730	0.098	8	108.7730	0.010	8	108.7851	0.099	14	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(PRuCC)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	C(CN[5]HH)(PRuCC)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	108.8925	0.006	2	108.8925	0.000	2	108.7851	0.099	14	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:P-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(PRuCC)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	C(CN[5]HH)(PRuCC)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	108.7555	0.630	4	108.7555	0.397	4	108.7851	0.099	14	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SC[6a]NO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(H)2	H(CCFS)	C(CC[6a]HH)(SC[6a]NO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(H)2	H(CCFS)	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(SCOO)(H)2	C(CC[6a]O)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCOO)(H)2	C(CC[6a]O)(CHHS)(H)2	H(CCHS)	109.6010	0.010	2	109.6010	0.000	2	109.6010	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SCu2C)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SCu2C)(H)2	C(C[6]C[6]N[6])(CHHS)(H)2	H(CCHS)	108.9618	0.121	6	108.9618	0.015	6	108.9959	0.014	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(SO3)(H)2	C(C[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CC[6]HH)(SO3)(H)2	C(C[6]C[6]2)(CHHS)(H)2	H(CCHS)	109.0980	0.018	2	109.0980	0.000	2	108.9959	0.014	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SCOO)(H)2	C(C[6a]C[6a]N[6a])(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SCOO)(H)2	C(C[6a]C[6a]N[6a])(CHHS)(H)2	H(CCHS)	109.4820	0.007	2	109.4820	0.000	2	109.2479	0.029	15	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.2425	0.078	6	109.2425	0.006	6	109.2479	0.029	15	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SNOO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SNOO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	108.9415	0.005	2	108.9415	0.000	2	109.2479	0.029	15	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SN[6]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SN[6]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.1670	0.011	2	109.1670	0.000	2	109.2479	0.029	15	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SO3)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CC[6a]HH)(SO3)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.3607	0.114	3	109.3607	0.013	3	109.2479	0.029	15	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	109.2427	0.300	3	109.2427	0.090	3	110.2309	3.033	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SCOO)(H)2	C(N[5]C[5]N[5])(CHHS)(H)2	H(CCHS)	109.1250	0.267	8	109.1250	0.071	8	110.2309	3.033	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SFOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SFOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	109.1175	0.006	2	109.1175	0.000	2	110.2309	3.033	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SNOO)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	110.9788	2.084	18	110.9788	4.344	18	110.2309	3.033	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SO3)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	C(CN[5]HH)(SO3)(H)2	C(N[5]C[5,6a]C[5])(CHHS)(H)2	H(CCHS)	110.3745	1.040	4	110.3745	1.082	4	110.2309	3.033	35	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(SCOO)(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	C(CN[5a]HH)(SCOO)(H)2	C(N[5a]C[5a]2)(CHHS)(H)2	H(CCHS)	109.1618	0.311	5	109.1618	0.097	5	109.1618	0.097	5	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SFOO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SFOO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	109.3743	0.083	8	109.3743	0.007	8	109.7978	3.604	16	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SN[6]OO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SN[6]OO)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	114.3825	1.942	2	114.3825	3.773	2	109.7978	3.604	16	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2)(CHHS)(H)2	H(CCHS)	108.8343	0.490	6	108.8343	0.240	6	109.7978	3.604	16	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(SO3)(H)2	C(N[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(CN[6a]HH)(SO3)(H)2	C(N[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	111.3986	2.944	12	111.3986	8.666	12	111.3986	8.666	12	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	H(CSiCH)	C(CC[6a]HH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	H(CSiCH)	108.0170	0.605	2	108.0170	0.366	2	108.5362	0.185	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SiCFF)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	H(CSiCH)	C(CC[6a]HH)(SiCFF)(H)2	C(C[6a]C[6a]2)(CSiHH)(H)2	H(CSiCH)	108.7093	0.206	6	108.7093	0.042	6	108.5362	0.185	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:Si-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(SiC3)(H)2	C(N[5]C[5]2)(CSiHH)(H)2	H(CSiCH)	C(CN[5]HH)(SiC3)(H)2	C(N[5]C[5]2)(CSiHH)(H)2	H(CSiCH)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3,5]HH)(H)2	H(CC[3,5]CH)	110.2920	1.810	2	110.2920	3.277	2	110.2920	3.277	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	H(CC[3,5]CH)	107.3090	0.016	2	107.3090	0.000	2	107.3090	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[3]HH)(H)2	H(CC[3]CH)	109.4120	0.023	2	109.4120	0.001	2	109.4120	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3]HH)(H)2	H(CC[3]CH)	108.2155	0.026	2	108.2155	0.001	2	109.0178	0.858	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3]HH)(H)2	H(CC[3]CH)	109.8200	0.020	2	109.8200	0.000	2	109.0178	0.858	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	H(CC[3x6]CH)	C(C[3x6]C[6,6]2O[6,6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	H(CC[3x6]CH)	108.7205	0.269	4	108.7205	0.072	4	108.7205	0.072	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[3x6]HH)(H)2	H(CC[3x6]CH)	108.3835	0.171	8	108.3835	0.029	8	108.3835	0.029	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4,6]C[4,6]2C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	H(CC[4,6]CH)	C(C[4,6]C[4,6]2C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4,6]HH)(H)2	H(CC[4,6]CH)	108.4640	0.362	4	108.4640	0.131	4	108.4640	0.131	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CC[6a]HH)(Cl)(H)	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	H(CC[4]ClC)	C(C[4]C[4]N[4]H)(CC[6a]HH)(Cl)(H)	C(C[6a]C[6a]2)(CC[4]ClH)(H)2	H(CC[4]ClC)	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]B[4]C[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]B[4]C[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	109.3670	0.016	2	109.3670	0.000	2	108.4612	0.790	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	107.6651	0.794	8	107.6651	0.631	8	108.4612	0.790	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	108.8130	0.007	2	108.8130	0.000	2	108.4612	0.790	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4]N[4]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]N[4]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	108.8132	0.241	4	108.8132	0.058	4	108.4612	0.790	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	109.4485	0.054	2	109.4485	0.003	2	108.4612	0.790	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4]O[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]O[4]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(H)2	H(CC[4]CH)	108.9320	0.000	1	108.9320	0.000	1	108.4612	0.790	19	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[4]HH)(H)2	H(CC[4]CH)	108.8780	0.031	2	108.8780	0.001	2	108.8780	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	H(CC[5,5]CH)	108.0500	0.021	2	108.0500	0.000	2	108.0500	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	C(N[5]N[5,5]C[5])(CC[5,6,6]HH)(H)2	H(CC[5,6,6]CH)	108.0980	0.140	2	108.0980	0.020	2	108.0980	0.020	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	108.4030	0.023	2	108.4030	0.001	2	108.4030	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	H(CC[5]ClC)	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	C(C[6a]C[6a]2)(CC[5]ClH)(H)2	H(CC[5]ClC)	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6890	0.103	3	108.6890	0.011	3	108.7164	0.781	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.3835	0.030	2	108.3835	0.001	2	108.7164	0.781	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.3496	1.215	7	108.3496	1.477	7	108.7164	0.781	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.2915	2.388	2	108.2915	5.702	2	108.7164	0.781	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.1908	0.098	6	109.1908	0.010	6	108.7164	0.781	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.0460	0.078	4	109.0460	0.006	4	108.7164	0.781	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6714	0.200	5	108.6714	0.040	5	108.3195	0.146	11	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	H(CC[5]CH)	108.1140	0.155	4	108.1140	0.024	4	108.3195	0.146	11	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[5]HH)(H)2	H(CC[5]CH)	107.8505	0.062	2	107.8505	0.004	2	108.3195	0.146	11	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C(C[6]C[5,6]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C(C[6]C[5,6]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.3440	0.004	2	108.3440	0.000	2	108.3440	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(Cl)(H)	H(CC[5]CH)	107.9430	0.020	2	107.9430	0.000	2	107.9430	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.5780	0.145	4	108.5780	0.021	4	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.8210	0.058	2	108.8210	0.003	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.5965	0.012	2	108.5965	0.000	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.5640	0.004	2	109.5640	0.000	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.2695	0.008	2	108.2695	0.000	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.1945	0.008	2	109.1945	0.000	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.5390	0.480	4	108.5390	0.230	4	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.7717	0.505	7	108.7717	0.255	7	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6697	0.045	4	108.6697	0.002	4	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.3470	0.000	1	109.3470	0.000	1	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Mo)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mo)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6510	0.016	2	108.6510	0.000	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.3245	0.006	2	109.3245	0.000	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6105	0.016	2	108.6105	0.000	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.8693	0.351	22	108.8693	0.123	22	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6925	0.042	2	108.6925	0.002	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.2935	0.448	10	109.2935	0.201	10	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	110.6380	0.072	2	110.6380	0.005	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6940	0.038	3	108.6940	0.001	3	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.4330	0.236	2	108.4330	0.056	2	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]O[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.6380	0.000	1	108.6380	0.000	1	108.9008	0.250	78	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Cr)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.8853	0.154	7	108.8853	0.024	7	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ho)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.5785	0.022	2	108.5785	0.000	2	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Mo)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.1148	0.111	4	109.1148	0.012	4	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.0603	0.581	10	108.0603	0.338	10	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.3400	0.059	2	108.3400	0.004	2	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	107.1565	0.117	2	107.1565	0.014	2	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mn)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.3040	0.115	2	109.3040	0.013	2	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.1080	0.539	4	109.1080	0.290	4	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.0045	0.382	4	109.0045	0.146	4	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]P[5]Fe)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.5583	0.360	3	108.5583	0.130	3	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.1695	0.052	2	108.1695	0.003	2	108.5829	0.407	42	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.9567	0.239	4	108.9567	0.057	4	108.8204	0.124	10	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2V)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2V)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.7295	0.406	6	108.7295	0.165	6	108.8204	0.124	10	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.4613	0.489	4	109.4613	0.240	4	109.3296	0.113	10	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[5]HH)(H)2	H(CC[5]CH)	109.2418	0.193	6	109.2418	0.037	6	109.3296	0.113	10	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:O-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[6a]HH)(H)(O)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2Fe)(CC[6a]HH)(H)(O)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[5]CO)	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6,6]CH)	109.0325	0.047	2	109.0325	0.002	2	108.8877	0.030	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6,6]HH)(H)2	H(CC[6,6]CH)	108.7430	0.057	2	108.7430	0.003	2	108.8877	0.030	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:Br-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	C(C[6a]C[6a]2)(CC[6]BrH)(H)2	H(CC[6]BrC)	C(C[6]C[6a]C[6]2)(CC[6a]HH)(Br)(H)	C(C[6a]C[6a]2)(CC[6]BrH)(H)2	H(CC[6]BrC)	107.2210	0.000	1	107.2210	0.000	1	107.2210	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	C(C[6a]C[6a]2)(CC[6]FH)(H)2	H(CC[6]CF)	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	C(C[6a]C[6a]2)(CC[6]FH)(H)2	H(CC[6]CF)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[5,6]O)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[5,6]O)(CC[6]HH)(H)2	H(CC[6]CH)	108.5705	0.021	2	108.5705	0.000	2	108.8812	0.048	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CB[5,5]O)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CB[5,5]O)(CC[6]HH)(H)2	H(CC[6]CH)	108.9848	0.124	6	108.9848	0.015	6	108.8812	0.048	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	107.5415	0.021	2	107.5415	0.000	2	108.0310	0.242	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	H(CC[6]CH)	107.6423	0.155	4	107.6423	0.024	4	108.0310	0.242	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.2382	0.239	4	108.2382	0.057	4	108.0310	0.242	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5])(CC[6]HH)(H)2	H(CC[6]CH)	107.8520	0.125	8	107.8520	0.016	8	108.0310	0.242	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.6950	0.028	2	108.6950	0.001	2	108.0310	0.242	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]O)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.1940	1.290	2	108.1940	1.663	2	108.0310	0.242	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.7725	0.107	2	108.7725	0.011	2	108.0310	0.242	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[3,6]C[6,6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	67.1912	4.269	2	67.1912	18.220	2	103.9406	159.763	20	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	107.5200	0.700	3	107.5200	0.490	3	103.9406	159.763	20	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.6185	2.205	2	108.6185	4.864	2	103.9406	159.763	20	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	107.7448	0.469	11	107.7448	0.220	11	103.9406	159.763	20	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])(CC[6]HH)(H)2	H(CC[6]CH)	109.7200	0.007	2	109.7200	0.000	2	103.9406	159.763	20	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[3,6]C[5,6]H)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.8485	0.006	2	108.8485	0.000	2	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	109.0935	0.035	2	109.0935	0.001	2	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.4584	0.133	7	108.4584	0.018	7	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.2798	0.224	4	108.2798	0.050	4	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	106.8020	0.016	2	106.8020	0.000	2	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Cr)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	109.4870	0.017	2	109.4870	0.000	2	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	109.4670	0.044	2	109.4670	0.002	2	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]O[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CC[6]HH)(H)2	H(CC[6]CH)	108.6737	0.023	4	108.6737	0.001	4	108.5768	0.457	25	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[3,6]O[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.3860	0.007	2	108.3860	0.000	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.8238	0.313	6	108.8238	0.098	6	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.2235	0.108	4	108.2235	0.012	4	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.8460	0.021	2	108.8460	0.000	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.5820	0.023	2	108.5820	0.001	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	109.7390	1.356	2	109.7390	1.839	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6,6a]C[6a])(CC[6]HH)(H)2	H(CC[6]CH)	109.0420	0.210	4	109.0420	0.044	4	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	107.9935	0.473	2	107.9935	0.224	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.9140	0.028	2	108.9140	0.001	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Cr)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)(H)2	H(CC[6]CH)	108.4540	0.025	2	108.4540	0.001	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.6395	0.498	21	108.6395	0.248	21	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.4933	0.134	6	108.4933	0.018	6	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.8465	0.638	12	108.8465	0.407	12	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	109.0544	0.782	26	109.0544	0.611	26	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.1240	0.000	1	108.1240	0.000	1	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]O[6]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.7510	0.045	2	108.7510	0.002	2	108.7856	0.380	96	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CN[5]HH)(H)2	C(N[5]C[5]2)(CC[6]HH)(H)2	H(CC[6]CH)	109.5954	0.101	8	109.5954	0.010	8	109.5954	0.010	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.5337	0.313	3	108.5337	0.098	3	108.5337	0.098	3	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.5490	0.000	1	108.5490	0.000	1	107.8107	0.249	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CN[6]HH)(H)2	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	107.4265	0.110	4	107.4265	0.012	4	107.8107	0.249	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CN[6]HH)(H)2	C(N[6]C[6]2)(CC[6]HH)(H)2	H(CC[6]CH)	108.2100	0.006	2	108.2100	0.000	2	107.8107	0.249	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CN[5,6]O)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CN[5,6]O)(CHHN)(H)2	H(CCHN)	108.5540	0.035	2	108.5540	0.001	2	108.5540	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]CuC)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(NC[6a]CuC)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.7927	0.455	4	108.7927	0.207	4	108.8752	0.101	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]NiC)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	C(NC[6a]NiC)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	H(CCHN)	108.9578	0.098	4	108.9578	0.010	4	108.8752	0.101	8	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NAlCC)(CHHN)(H)2	C(NC[6]Al)(CHHN)(H)2	H(CCHN)	C(NAlCC)(CHHN)(H)2	C(NC[6]Al)(CHHN)(H)2	H(CCHN)	109.6827	0.102	10	109.6827	0.010	10	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NAlCC)(CHHN)(H)2	C(NC[6a]Al)(CHHN)(H)2	H(CCHN)	C(NAlCC)(CHHN)(H)2	C(NC[6a]Al)(CHHN)(H)2	H(CCHN)	109.9673	0.953	20	109.9673	0.909	20	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NAlSiC)(CHHN)(H)2	C(NAlSi)(CHHN)(H)2	H(CCHN)	C(NAlSiC)(CHHN)(H)2	C(NAlSi)(CHHN)(H)2	H(CCHN)	110.5255	2.442	4	110.5255	5.965	4	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]C)(CHHN)(H)2	H(CCHN)	109.2200	0.014	2	109.2200	0.000	2	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Pb2)(CHHN)(H)2	C(NC[6a]Pb)(CHHN)(H)2	H(CCHN)	C(NC[6a]Pb2)(CHHN)(H)2	C(NC[6a]Pb)(CHHN)(H)2	H(CCHN)	109.5425	0.021	2	109.5425	0.000	2	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NC[6a]Sn2)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	C(NC[6a]Sn2)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	109.4230	0.014	2	109.4230	0.000	2	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(NC[5]Co)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(NC[5]Co)(CHHN)(H)2	H(CCHN)	109.7116	0.777	13	109.7116	0.603	13	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(NC[6]Co)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(NC[6]Co)(CHHN)(H)2	H(CCHN)	109.4845	0.156	39	109.4845	0.024	39	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NCrCC)(CHHN)(H)2	C(NC[5]Cr)(CHHN)(H)2	H(CCHN)	C(NCrCC)(CHHN)(H)2	C(NC[5]Cr)(CHHN)(H)2	H(CCHN)	109.4273	0.054	6	109.4273	0.003	6	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NCrCC)(CHHN)(H)2	C(NCrSi)(CHHN)(H)2	H(CCHN)	C(NCrCC)(CHHN)(H)2	C(NCrSi)(CHHN)(H)2	H(CCHN)	110.0808	0.111	6	110.0808	0.012	6	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(NC[5]Cu)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(NC[5]Cu)(CHHN)(H)2	H(CCHN)	109.6220	0.060	6	109.6220	0.004	6	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(NC[6]Cu)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(NC[6]Cu)(CHHN)(H)2	H(CCHN)	109.4384	0.037	5	109.4384	0.001	5	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(NC[5]Fe)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(NC[5]Fe)(CHHN)(H)2	H(CCHN)	109.5332	1.772	8	109.5332	3.140	8	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(NC[6]Fe)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(NC[6]Fe)(CHHN)(H)2	H(CCHN)	109.3921	0.108	10	109.3921	0.012	10	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NIrCC)(CHHN)(H)2	C(NC[6a]Ir)(CHHN)(H)2	H(CCHN)	C(NIrCC)(CHHN)(H)2	C(NC[6a]Ir)(CHHN)(H)2	H(CCHN)	109.4313	0.145	4	109.4313	0.021	4	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(NC[5]Mn)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(NC[5]Mn)(CHHN)(H)2	H(CCHN)	109.2523	1.139	7	109.2523	1.296	7	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(NC[6a]H)(CHHN)(H)2	H(CCHN)	107.7870	0.017	2	107.7870	0.000	2	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NMoCC)(CHHN)(H)2	C(NC[6a]Mo)(CHHN)(H)2	H(CCHN)	C(NMoCC)(CHHN)(H)2	C(NC[6a]Mo)(CHHN)(H)2	H(CCHN)	109.9950	0.181	11	109.9950	0.033	11	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(NC[5]Ni)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(NC[5]Ni)(CHHN)(H)2	H(CCHN)	109.6188	0.090	5	109.6188	0.008	5	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(NC[6]Ni)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(NC[6]Ni)(CHHN)(H)2	H(CCHN)	109.3940	0.036	5	109.3940	0.001	5	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(NC[6a]Ni)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(NC[6a]Ni)(CHHN)(H)2	H(CCHN)	109.7399	0.281	9	109.7399	0.079	9	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NPdCC)(CHHN)(H)2	C(NC[5]Pd)(CHHN)(H)2	H(CCHN)	C(NPdCC)(CHHN)(H)2	C(NC[5]Pd)(CHHN)(H)2	H(CCHN)	109.2275	0.013	2	109.2275	0.000	2	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NPtCC)(CHHN)(H)2	C(NC[5]Pt)(CHHN)(H)2	H(CCHN)	C(NPtCC)(CHHN)(H)2	C(NC[5]Pt)(CHHN)(H)2	H(CCHN)	109.7805	0.006	2	109.7805	0.000	2	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NReCC)(CHHN)(H)2	C(NC[6a]Re)(CHHN)(H)2	H(CCHN)	C(NReCC)(CHHN)(H)2	C(NC[6a]Re)(CHHN)(H)2	H(CCHN)	110.1188	0.081	4	110.1188	0.007	4	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NSn2C)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	C(NSn2C)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	109.6507	0.160	3	109.6507	0.026	3	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NSnCC)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	C(NSnCC)(CHHN)(H)2	C(NC[6a]Sn)(CHHN)(H)2	H(CCHN)	109.1832	0.373	6	109.1832	0.139	6	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NSnCC)(CHHN)(H)2	C(NSiSn)(CHHN)(H)2	H(CCHN)	C(NSnCC)(CHHN)(H)2	C(NSiSn)(CHHN)(H)2	H(CCHN)	109.8507	0.100	9	109.8507	0.010	9	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(NC[5]Zn)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(NC[5]Zn)(CHHN)(H)2	H(CCHN)	109.3295	0.302	11	109.3295	0.091	11	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(NC[6a]Zn)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(NC[6a]Zn)(CHHN)(H)2	H(CCHN)	109.1622	0.243	13	109.1622	0.059	13	109.5868	0.454	226	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(NC[6a]RuH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	C(NC[6a]RuH)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHN)(H)2	H(CCHN)	108.8160	0.023	2	108.8160	0.001	2	108.8160	0.001	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NBaCC)(CHHO)(H)2	C(OBaCo)(CHHN)(H)2	H(CCHN)	C(NBaCC)(CHHO)(H)2	C(OBaCo)(CHHN)(H)2	H(CCHN)	108.7795	0.023	2	108.7795	0.001	2	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NBaCC)(CHHO)(H)2	C(OC[6a]Ba)(CHHN)(H)2	H(CCHN)	C(NBaCC)(CHHO)(H)2	C(OC[6a]Ba)(CHHN)(H)2	H(CCHN)	108.6492	0.211	4	108.6492	0.045	4	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHO)(H)2	C(OB[6,6]Co)(CHHN)(H)2	H(CCHN)	C(NCoHH)(CHHO)(H)2	C(OB[6,6]Co)(CHHN)(H)2	H(CCHN)	109.7530	0.000	1	109.7530	0.000	1	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NCrCH)(CHHO)(H)2	C(OCrZn)(CHHN)(H)2	H(CCHN)	C(NCrCH)(CHHO)(H)2	C(OCrZn)(CHHN)(H)2	H(CCHN)	109.7701	0.160	8	109.7701	0.026	8	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHO)(H)2	C(OCoCu)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHO)(H)2	C(OCoCu)(CHHN)(H)2	H(CCHN)	109.8500	0.832	2	109.8500	0.691	2	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(OFeHo)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(OFeHo)(CHHN)(H)2	H(CCHN)	109.5673	0.058	3	109.5673	0.003	3	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NLiCC)(CHHO)(H)2	C(OLiSn)(CHHN)(H)2	H(CCHN)	C(NLiCC)(CHHO)(H)2	C(OLiSn)(CHHN)(H)2	H(CCHN)	109.0765	0.008	2	109.0765	0.000	2	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHO)(H)2	C(OC[6a]Ni)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHO)(H)2	C(OC[6a]Ni)(CHHN)(H)2	H(CCHN)	108.9510	0.193	3	108.9510	0.037	3	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NNiHH)(CHHO)(H)2	C(OB[6,6]Ni)(CHHN)(H)2	H(CCHN)	C(NNiHH)(CHHO)(H)2	C(OB[6,6]Ni)(CHHN)(H)2	H(CCHN)	109.8750	0.016	2	109.8750	0.000	2	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NSnCC)(CHHO)(H)2	C(OLiSn)(CHHN)(H)2	H(CCHN)	C(NSnCC)(CHHO)(H)2	C(OLiSn)(CHHN)(H)2	H(CCHN)	109.5790	0.010	2	109.5790	0.000	2	109.3926	0.255	29	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHS)(H)2	C(SCoPt)(CHHN)(H)2	H(CCHN)	C(NCoHH)(CHHS)(H)2	C(SCoPt)(CHHN)(H)2	H(CCHN)	109.3478	0.420	4	109.3478	0.177	4	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHS)(H)2	C(SC[6a]Cu)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHS)(H)2	C(SC[6a]Cu)(CHHN)(H)2	H(CCHN)	110.4855	0.862	4	110.4855	0.743	4	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHS)(H)2	C(SC[6a]Cu)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CHHS)(H)2	C(SC[6a]Cu)(CHHN)(H)2	H(CCHN)	110.2560	0.000	1	110.2560	0.000	1	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHS)(H)2	C(SCoFe)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHS)(H)2	C(SCoFe)(CHHN)(H)2	H(CCHN)	111.9333	2.909	4	111.9333	8.460	4	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHS)(H)2	C(SFeRe)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHS)(H)2	C(SFeRe)(CHHN)(H)2	H(CCHN)	109.3720	0.000	1	109.3720	0.000	1	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NIrCH)(CHHS)(H)2	C(SC[6a]Ir)(CHHN)(H)2	H(CCHN)	C(NIrCH)(CHHS)(H)2	C(SC[6a]Ir)(CHHN)(H)2	H(CCHN)	109.9020	0.000	1	109.9020	0.000	1	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NIrHH)(CHHS)(H)2	C(SIrMo)(CHHN)(H)2	H(CCHN)	C(NIrHH)(CHHS)(H)2	C(SIrMo)(CHHN)(H)2	H(CCHN)	109.9582	0.879	6	109.9582	0.773	6	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHS)(H)2	C(SC[6a]Mn)(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHS)(H)2	C(SC[6a]Mn)(CHHN)(H)2	H(CCHN)	109.6135	0.011	2	109.6135	0.000	2	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(SCuNi)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(SCuNi)(CHHN)(H)2	H(CCHN)	109.3257	0.545	4	109.3257	0.297	4	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(SFeNi)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(SFeNi)(CHHN)(H)2	H(CCHN)	109.6372	0.154	14	109.6372	0.024	14	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(SNiPd)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(SNiPd)(CHHN)(H)2	H(CCHN)	108.7271	1.122	8	108.7271	1.260	8	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(SNiPt)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(SNiPt)(CHHN)(H)2	H(CCHN)	109.2630	0.073	4	109.2630	0.005	4	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(SNiRh)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(SNiRh)(CHHN)(H)2	H(CCHN)	109.0672	0.321	19	109.0672	0.103	19	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(SNiRu)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(SNiRu)(CHHN)(H)2	H(CCHN)	108.8464	0.207	24	108.8464	0.043	24	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NPdCH)(CHHS)(H)2	C(SC[6a]Pd)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CHHS)(H)2	C(SC[6a]Pd)(CHHN)(H)2	H(CCHN)	109.6510	0.013	3	109.6510	0.000	3	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NPdHH)(CHHS)(H)2	C(SPdRu)(CHHN)(H)2	H(CCHN)	C(NPdHH)(CHHS)(H)2	C(SPdRu)(CHHN)(H)2	H(CCHN)	109.4975	1.512	4	109.4975	2.286	4	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NRhHH)(CHHS)(H)2	C(SPtRh)(CHHN)(H)2	H(CCHN)	C(NRhHH)(CHHS)(H)2	C(SPtRh)(CHHN)(H)2	H(CCHN)	109.6525	0.035	2	109.6525	0.001	2	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NRhHH)(CHHS)(H)2	C(SRhZn)(CHHN)(H)2	H(CCHN)	C(NRhHH)(CHHS)(H)2	C(SRhZn)(CHHN)(H)2	H(CCHN)	109.5738	1.049	23	109.5738	1.101	23	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHS)(H)2	C(SC[6a]Ru)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHS)(H)2	C(SC[6a]Ru)(CHHN)(H)2	H(CCHN)	109.8841	0.363	20	109.8841	0.132	20	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NRuHH)(CHHS)(H)2	C(SAgRu)(CHHN)(H)2	H(CCHN)	C(NRuHH)(CHHS)(H)2	C(SAgRu)(CHHN)(H)2	H(CCHN)	109.2242	0.697	4	109.2242	0.486	4	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHS)(H)2	C(SPtZn)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHS)(H)2	C(SPtZn)(CHHN)(H)2	H(CCHN)	108.8353	0.025	3	108.8353	0.001	3	109.4631	0.866	155	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2Zn)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Zn)(CC[5a]HH)(H)2	C(C[5a]N[5a]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.6873	0.037	4	108.6873	0.001	4	108.6873	0.001	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,5]C[5]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(H)2	H(CN[5]CH)	108.7045	0.019	2	108.7045	0.000	2	108.7045	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[5]HH)(H)2	H(CN[5]CH)	109.1312	0.533	4	109.1312	0.284	4	109.1312	0.284	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CN[6,6]CH)	108.2665	0.188	4	108.2665	0.035	4	108.4497	0.102	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6,6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	H(CN[6,6]CH)	108.8160	0.008	2	108.8160	0.000	2	108.4497	0.102	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	107.5680	0.014	2	107.5680	0.000	2	107.7840	0.062	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	108.0000	0.013	2	108.0000	0.000	2	107.7840	0.062	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	H(CN[6]CH)	109.3155	0.062	4	109.3155	0.004	4	109.3155	0.004	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.6990	0.021	2	108.6990	0.000	2	109.0867	0.204	31	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.3380	0.060	4	108.3380	0.004	4	109.0867	0.204	31	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.2753	0.218	7	109.2753	0.047	7	109.0867	0.204	31	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	109.2720	0.395	16	109.2720	0.156	16	109.0867	0.204	31	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	H(CN[6]CH)	108.8290	0.048	2	108.8290	0.002	2	109.0867	0.204	31	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Al)(CHHN)(H)2	C(NC[6a]Al)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Al)(CHHN)(H)2	C(NC[6a]Al)(CN[6]HH)(H)2	H(CN[6]CH)	109.7318	0.130	4	109.7318	0.017	4	109.7318	0.017	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	108.8790	0.000	1	108.8790	0.000	1	110.1450	2.115	5	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	H(CN[6]CH)	110.4615	1.467	4	110.4615	2.152	4	110.1450	2.115	5	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	H(CN[6]CH)	108.9280	0.045	2	108.9280	0.002	2	109.9780	3.946	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	H(CN[6]CH)	111.0280	2.725	2	111.0280	7.427	2	109.9780	3.946	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Pd)(CHHS)(H)2	C(SC[6a]Pd)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Pd)(CHHS)(H)2	C(SC[6a]Pd)(CN[6]HH)(H)2	H(CN[6]CH)	109.0953	0.124	6	109.0953	0.015	6	109.0953	0.015	6	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Pd)(CSeHH)(H)2	C(SeC[6a]Pd)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Pd)(CSeHH)(H)2	C(SeC[6a]Pd)(CN[6]HH)(H)2	H(CN[6]CH)	108.9695	0.035	4	108.9695	0.001	4	108.9695	0.001	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]HH)(CB[5]HH)(H)2	C(B[5]O[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]HH)(CB[5]HH)(H)2	C(B[5]O[5]2)(CHHP)(H)2	H(CCHP)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	H(CCHP)	C(PC[6a]2O)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	H(CCHP)	109.1550	0.000	1	109.1550	0.000	1	109.4440	0.066	3	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2S)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	H(CCHP)	C(PC[6a]2S)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	H(CCHP)	109.5885	0.086	2	109.5885	0.007	2	109.4440	0.066	3	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2B)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2B)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	109.2420	0.025	2	109.2420	0.001	2	108.4649	1.189	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CC[5]HH)(H)2	C(C[5]C[5,6]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CC[5]HH)(H)2	C(C[5]C[5,6]2)(CHHP)(H)2	H(CCHP)	107.1088	0.278	6	107.1088	0.077	6	108.4649	1.189	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CC[5]HH)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2O)(CC[5]HH)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	H(CCHP)	109.6339	0.372	8	109.6339	0.138	8	108.4649	1.189	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CC[5]HH)(H)2	C(C[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CC[5]HH)(H)2	C(C[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	109.0957	0.092	4	109.0957	0.009	4	108.4649	1.189	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CC[5]HH)(H)2	C(C[5]N[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CC[5]HH)(H)2	C(C[5]N[5]2)(CHHP)(H)2	H(CCHP)	108.8042	0.093	4	108.8042	0.009	4	108.4649	1.189	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CC[5]HH)(H)2	C(C[5]C[5,6]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CC[5]HH)(H)2	C(C[5]C[5,6]2)(CHHP)(H)2	H(CCHP)	107.3565	0.305	6	107.3565	0.093	6	108.4649	1.189	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	109.1898	0.240	4	109.1898	0.058	4	109.1443	0.096	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	109.6557	0.110	4	109.6557	0.012	4	109.1443	0.096	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	109.0518	0.329	6	109.0518	0.108	6	109.1443	0.096	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]PdC)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	C(PC[6a]PdC)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	H(CCHP)	108.9771	0.096	10	108.9771	0.009	10	109.1443	0.096	24	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	H(CCHP)	108.7890	0.166	4	108.7890	0.028	4	108.7890	0.028	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6]2Co)(CHHN)(H)2	C(NC[6]H)(CHHP)(H)2	H(CCHP)	C(PC[6]2Co)(CHHN)(H)2	C(NC[6]H)(CHHP)(H)2	H(CCHP)	107.7430	0.017	2	107.7430	0.000	2	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	C(NC[5]Co)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	C(NC[5]Co)(CHHP)(H)2	H(CCHP)	110.7155	0.021	2	110.7155	0.000	2	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	C(NC[6]C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	C(NC[6]C)(CHHP)(H)2	H(CCHP)	108.8697	0.577	4	108.8697	0.333	4	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	C(NC[6a]C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	C(NC[6a]C)(CHHP)(H)2	H(CCHP)	108.6778	0.190	4	108.6778	0.036	4	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	C(NC[5]Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	C(NC[5]Fe)(CHHP)(H)2	H(CCHP)	109.9665	0.149	4	109.9665	0.022	4	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	C(NC[6a]Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	C(NC[6a]Fe)(CHHP)(H)2	H(CCHP)	109.5180	0.024	2	109.5180	0.001	2	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHN)(H)2	C(NC[6a]C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHN)(H)2	C(NC[6a]C)(CHHP)(H)2	H(CCHP)	108.9243	0.030	4	108.9243	0.001	4	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHN)(H)2	C(NC[6a]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHN)(H)2	C(NC[6a]2)(CHHP)(H)2	H(CCHP)	108.0725	0.013	2	108.0725	0.000	2	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHN)(H)2	C(NC[6]Ru)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHN)(H)2	C(NC[6]Ru)(CHHP)(H)2	H(CCHP)	110.4370	0.059	2	110.4370	0.004	2	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHN)(H)2	C(NC[5]Co)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHN)(H)2	C(NC[5]Co)(CHHP)(H)2	H(CCHP)	109.8820	0.044	2	109.8820	0.002	2	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHN)(H)2	C(NCoSi)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHN)(H)2	C(NCoSi)(CHHP)(H)2	H(CCHP)	110.0475	0.019	2	110.0475	0.000	2	109.2861	0.764	30	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6]2Ir)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	C(PC[6]2Ir)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	108.9060	0.086	4	108.9060	0.007	4	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	108.6785	0.049	4	108.6785	0.002	4	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	109.2030	0.008	2	109.2030	0.000	2	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	108.6545	0.972	31	108.6545	0.944	31	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	109.2544	0.211	11	109.2544	0.044	11	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	109.0944	0.328	9	109.0944	0.108	9	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Os)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Os)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	108.5311	0.170	16	108.5311	0.029	16	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	109.2133	0.187	4	109.2133	0.035	4	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	109.2491	0.525	14	109.2491	0.275	14	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CN[5]HH)(H)2	C(N[5]C[5,6]N[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CN[5]HH)(H)2	C(N[5]C[5,6]N[5])(CHHP)(H)2	H(CCHP)	109.3419	0.737	8	109.3419	0.543	8	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CN[5]HH)(H)2	C(N[5]C[5,6a]N[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CN[5]HH)(H)2	C(N[5]C[5,6a]N[5])(CHHP)(H)2	H(CCHP)	108.2710	0.532	4	108.2710	0.283	4	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	109.3531	0.214	9	109.3531	0.046	9	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	108.3250	1.246	6	108.3250	1.553	6	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CHHP)(H)2	H(CCHP)	109.2248	0.143	6	109.2248	0.020	6	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]PtC)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]PtC)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHP)(H)2	H(CCHP)	108.9455	0.023	4	108.9455	0.001	4	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]RuC)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	C(PC[6a]RuC)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CHHP)(H)2	H(CCHP)	109.1009	0.381	20	109.1009	0.145	20	108.9383	0.436	152	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CN[5a]HH)(H)2	C(N[5a]C[5a]2)(CHHP)(H)2	H(CCHP)	108.7420	0.014	2	108.7420	0.000	2	108.6719	0.225	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CHHP)(H)2	H(CCHP)	109.6590	0.000	1	109.6590	0.000	1	108.6719	0.225	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]RuC)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	H(CCHP)	C(PC[6a]RuC)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	H(CCHP)	108.3900	0.122	4	108.3900	0.015	4	108.6719	0.225	7	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHO)(H)2	C(OC[6a]Pd)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHO)(H)2	C(OC[6a]Pd)(CHHP)(H)2	H(CCHP)	109.7725	0.091	2	109.7725	0.008	2	110.0269	0.110	16	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[5]Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[5]Rh)(CHHP)(H)2	H(CCHP)	109.8070	0.115	4	109.8070	0.013	4	110.0269	0.110	16	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[6a]Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHO)(H)2	C(OC[6a]Rh)(CHHP)(H)2	H(CCHP)	109.7875	0.022	2	109.7875	0.000	2	110.0269	0.110	16	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHO)(H)2	C(OC[6a]Ru)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHO)(H)2	C(OC[6a]Ru)(CHHP)(H)2	H(CCHP)	110.2602	0.322	8	110.2602	0.104	8	110.0269	0.110	16	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	108.6600	0.044	2	108.6600	0.002	2	107.4322	6.978	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	100.5315	0.049	2	100.5315	0.002	2	107.4322	6.978	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PC[6a]FeC)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	C(PC[6a]FeC)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	107.2915	0.056	2	107.2915	0.003	2	107.4322	6.978	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PNiCC)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	C(PNiCC)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	H(CCHP)	108.6200	0.043	3	108.6200	0.002	3	107.4322	6.978	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	108.1757	0.350	4	108.1757	0.122	4	107.4322	6.978	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(PPtCC)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	C(PPtCC)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	H(CCHP)	108.7048	0.130	4	108.7048	0.017	4	107.4322	6.978	17	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CHHS)(H)2	C(SC[6a]Cu)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CHHS)(H)2	C(SC[6a]Cu)(CHHP)(H)2	H(CCHP)	109.3835	0.331	4	109.3835	0.110	4	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHS)(H)2	C(SC[6a]Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHS)(H)2	C(SC[6a]Fe)(CHHP)(H)2	H(CCHP)	109.4030	0.000	1	109.4030	0.000	1	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CHHS)(H)2	C(SC[6a]Ir)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CHHS)(H)2	C(SC[6a]Ir)(CHHP)(H)2	H(CCHP)	109.7910	0.042	3	109.7910	0.002	3	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHS)(H)2	C(SC[6a]Ni)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHS)(H)2	C(SC[6a]Ni)(CHHP)(H)2	H(CCHP)	109.2660	0.041	2	109.2660	0.002	2	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(SB[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(SB[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHP)	109.1820	0.008	2	109.1820	0.000	2	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[3x6]Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[3x6]Pt)(CHHP)(H)2	H(CCHP)	109.9130	0.006	2	109.9130	0.000	2	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[5x3,5x5,20x6]Pt)(CHHP)(H)2	H(CCHP)	109.8037	0.044	3	109.8037	0.002	3	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[6]Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[6]Pt)(CHHP)(H)2	H(CCHP)	109.6095	0.084	2	109.6095	0.007	2	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[6a]Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(SC[6a]Pt)(CHHP)(H)2	H(CCHP)	109.7943	0.342	29	109.7943	0.117	29	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHS)(H)2	C(SC[6a]Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHS)(H)2	C(SC[6a]Rh)(CHHP)(H)2	H(CCHP)	109.9847	0.160	26	109.9847	0.025	26	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]Rh)(CHHS)(H)2	C(SC[6a]Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]C[6]Rh)(CHHS)(H)2	C(SC[6a]Rh)(CHHP)(H)2	H(CCHP)	109.7875	0.055	4	109.7875	0.003	4	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(CHHS)(H)2	C(SIrNi)(CHHP)(H)2	H(CCHP)	C(PC[6a]NiC)(CHHS)(H)2	C(SIrNi)(CHHP)(H)2	H(CCHP)	110.0435	0.112	2	110.0435	0.013	2	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(CHHS)(H)2	C(SNiRh)(CHHP)(H)2	H(CCHP)	C(PC[6a]NiC)(CHHS)(H)2	C(SNiRh)(CHHP)(H)2	H(CCHP)	109.8369	0.114	8	109.8369	0.013	8	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHP)(H)2	H(CCHP)	C(PC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHP)(H)2	H(CCHP)	108.9850	0.062	2	108.9850	0.004	2	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHS)(H)2	C(SIrPd)(CHHP)(H)2	H(CCHP)	C(PC[6a]PdC)(CHHS)(H)2	C(SIrPd)(CHHP)(H)2	H(CCHP)	109.7827	0.107	4	109.7827	0.011	4	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHS)(H)2	C(SPdRh)(CHHP)(H)2	H(CCHP)	C(PC[6a]PdC)(CHHS)(H)2	C(SPdRh)(CHHP)(H)2	H(CCHP)	109.6213	0.138	7	109.6213	0.019	7	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]PtC)(CHHS)(H)2	C(SIrPt)(CHHP)(H)2	H(CCHP)	C(PC[6a]PtC)(CHHS)(H)2	C(SIrPt)(CHHP)(H)2	H(CCHP)	109.6430	0.212	4	109.6430	0.045	4	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(PC[6a]PtC)(CHHS)(H)2	C(SPtRh)(CHHP)(H)2	H(CCHP)	C(PC[6a]PtC)(CHHS)(H)2	C(SPtRh)(CHHP)(H)2	H(CCHP)	109.6021	0.278	19	109.6021	0.077	19	109.7475	0.093	124	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CSeHH)(H)2	C(SeC[6a]Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CSeHH)(H)2	C(SeC[6a]Pt)(CHHP)(H)2	H(CCHP)	109.3605	0.025	2	109.3605	0.001	2	109.6198	0.067	12	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	P-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CSeHH)(H)2	C(SePtC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CSeHH)(H)2	C(SePtC)(CHHP)(H)2	H(CCHP)	109.6717	0.252	10	109.6717	0.064	10	109.6198	0.067	12	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2)(CHHS)(H)2	H(CCHS)	109.1890	0.014	2	109.1890	0.000	2	109.1890	0.000	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]PdO)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	C(SC[6a]PdO)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CHHS)(H)2	H(CCHS)	109.3007	0.110	4	109.3007	0.012	4	109.3007	0.012	4	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	S-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CN[5]HH)(H)2	C(N[5]C[5]2)(CHHS)(H)2	H(CCHS)	109.0850	0.047	2	109.0850	0.002	2	109.0850	0.002	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHS)(H)2	H(CCHS)	111.6360	0.156	2	111.6360	0.024	2	111.6360	0.024	2	108.9378	1.573	14857	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	B[5,5]-4:C-4:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	H(CB[5,5]BrC)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(Br)(H)	C(C[6a]C[6a]2)(CB[5,5]BrH)(OH)(H)	H(CB[5,5]BrC)	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	B[5,5]-4:C-4:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	H(CB[5,5]CI)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	H(CB[5,5]CI)	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	H(CBrCC)	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	H(CBrCC)	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	H(CBrCC)	C(CC[6a]HO)(CCHH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	H(CBrCC)	107.1270	0.000	1	107.1270	0.000	1	107.4313	0.205	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	H(CBrCC)	C(CC[6a]HO)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	H(CBrCC)	107.5327	0.495	3	107.5327	0.245	3	107.4313	0.205	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CClCH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	H(CClCC)	C(CC[6a]HO)(CClCH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	H(CClCC)	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	H(CCCF)	C(CC[6a]HO)(CCHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	H(CCCF)	108.5670	0.000	1	108.5670	0.000	1	108.8370	0.146	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(F)(H)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	H(CCCF)	C(CC[6a]HO)(CH3)(F)(H)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	H(CCCF)	109.1070	0.000	1	109.1070	0.000	1	108.8370	0.146	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NC)(H)	H(CCCH)	109.2145	0.204	4	109.2145	0.041	4	109.0144	0.115	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:	C(CCHN)(CC3)(H)2	C(CN[5]O)(CCHH)(NN)(H)	H(CCCH)	C(CCHN)(CC3)(H)2	C(CN[5]O)(CCHH)(NN)(H)	H(CCCH)	108.5155	0.013	2	108.5155	0.000	2	109.0144	0.115	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CC[4]H)(CCHH)(NN)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CC[4]H)(CCHH)(NN)(H)	H(CCCH)	109.1130	0.035	2	109.1130	0.001	2	109.0144	0.115	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CN[5]O)(CCHH)(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CN[5]O)(CCHH)(OC)(H)	H(CCCH)	108.4025	0.021	2	108.4025	0.000	2	108.6921	0.147	7	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	H(CCCH)	109.0175	0.032	2	109.0175	0.001	2	108.6921	0.147	7	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CC[5,6]O)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CC[5,6]O)(CCHH)(OC)(H)	H(CCCH)	108.6683	0.498	3	108.6683	0.248	3	108.6921	0.147	7	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]CH)(CC[5]HO)(H)2	C(C[5]C[5]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HO)(H)2	C(C[5]C[5]2)(CCHH)(OH)(H)	H(CCCH)	108.9790	0.000	1	108.9790	0.000	1	108.4298	0.105	6	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]2)(CCHH)(OC)(H)	H(CCCH)	108.1807	0.095	3	108.1807	0.009	3	108.4298	0.105	6	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(C[5]N[5]S[5])(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(C[5]N[5]S[5])(CCHH)(OH)(H)	H(CCCH)	108.5290	0.034	2	108.5290	0.001	2	108.4298	0.105	6	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-2:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	H(CCCH)	109.2715	0.015	2	109.2715	0.000	2	109.2475	0.001	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-2:H-1:	C-4:	C(CC[5a]CH)(CC[5]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	H(CCCH)	C(CC[5a]CH)(CC[5]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	H(CCCH)	109.2235	0.008	2	109.2235	0.000	2	109.2475	0.001	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	H(CCCH)	C(CC[5a]HO)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	H(CCCH)	108.8552	0.148	4	108.8552	0.022	4	108.9698	0.050	9	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CC[6a]CH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	H(CCCH)	C(CC[5a]HO)(CC[6a]CH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	H(CCCH)	108.7955	0.036	2	108.7955	0.001	2	108.9698	0.050	9	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	H(CCCH)	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	H(CCCH)	109.2387	0.041	3	109.2387	0.002	3	108.9698	0.050	9	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:S-2:H-1:	C-4:	C(CC[5a]HS)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	H(CCCH)	C(CC[5a]HS)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	H(CCCH)	109.5270	0.059	2	109.5270	0.004	2	109.5270	0.004	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:As-2:H-1:	C-4:	C(CC[6]AsH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(AsN)(H)	H(CCCH)	C(CC[6]AsH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(AsN)(H)	H(CCCH)	109.3485	0.033	2	109.3485	0.001	2	109.3485	0.001	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(OSi)(H)	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(OSi)(H)	H(CCCH)	108.6345	0.018	2	108.6345	0.000	2	108.6345	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CBrHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	C(CC[6a]CH)(CBrHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	108.4920	0.137	2	108.4920	0.019	2	108.4238	0.107	18	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	108.1930	0.011	2	108.1930	0.000	2	108.4238	0.107	18	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	107.9470	0.089	2	107.9470	0.008	2	108.4238	0.107	18	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]CH)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	108.8040	0.071	2	108.8040	0.005	2	108.4238	0.107	18	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	108.7310	0.010	2	108.7310	0.000	2	108.4238	0.107	18	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	108.7002	0.139	4	108.7002	0.019	4	108.4238	0.107	18	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CCCH)	108.1232	0.056	4	108.1232	0.003	4	108.4238	0.107	18	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:O-1:	C-4:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(O)	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(O)	H(CCCH)	108.9507	0.038	3	108.9507	0.001	3	108.9507	0.001	3	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NS)(H)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NS)(H)	H(CCCH)	109.2980	0.100	2	109.2980	0.010	2	109.0664	0.065	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)(H)	H(CCCH)	109.2620	0.010	2	109.2620	0.000	2	109.0664	0.065	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NN)(H)	H(CCCH)	C(CC[6a]HN)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NN)(H)	H(CCCH)	108.8528	0.161	4	108.8528	0.026	4	109.0664	0.065	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.6080	0.078	4	108.6080	0.006	4	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.6820	0.013	2	108.6820	0.000	2	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	107.9967	0.864	3	107.9967	0.747	3	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	109.1315	0.008	2	109.1315	0.000	2	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	108.2720	0.099	3	108.2720	0.010	3	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.5678	0.348	18	108.5678	0.121	18	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(ON)(H)	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(ON)(H)	H(CCCH)	108.8865	0.051	4	108.8865	0.003	4	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	H(CCCH)	108.5231	0.262	8	108.5231	0.069	8	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	H(CCCH)	108.4460	0.040	2	108.4460	0.002	2	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CC[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	109.0453	0.435	10	109.0453	0.189	10	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CClCC)(H)2	C(C[6a]C[6a]2)(CCHH)(OO)(H)	H(CCCH)	C(CC[6a]HO)(CClCC)(H)2	C(C[6a]C[6a]2)(CCHH)(OO)(H)	H(CCCH)	108.0920	0.013	2	108.0920	0.000	2	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.4880	0.616	8	108.4880	0.379	8	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	109.1305	0.497	4	109.1305	0.248	4	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	H(CCCH)	108.9440	0.126	4	108.9440	0.016	4	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HO)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	H(CCCH)	108.7950	0.048	2	108.7950	0.002	2	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CNiCC)(H)2	C(C[6a]C[6a]2)(CCHH)(ONi)(H)	H(CCCH)	C(CC[6a]HO)(CNiCC)(H)2	C(C[6a]C[6a]2)(CCHH)(ONi)(H)	H(CCCH)	110.1797	1.331	8	110.1797	1.772	8	108.8045	0.540	84	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	C(CC[6a]HH)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	109.3235	0.082	4	109.3235	0.007	4	109.1286	0.076	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(CCl2H)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	C(CC[6a]HS)(CCl2H)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	108.7060	0.008	2	108.7060	0.000	2	109.1286	0.076	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	C(CC[6a]HS)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	H(CCCH)	109.1615	0.032	2	109.1615	0.001	2	109.1286	0.076	8	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CN)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CN)(H)	H(CCCH)	108.7735	0.033	2	108.7735	0.001	2	108.7735	0.001	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:O-2:H-1:	C-4:	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(OSi)(H)	H(CCCH)	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(OSi)(H)	H(CCCH)	109.3060	0.010	2	109.3060	0.000	2	109.3060	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:O-2:H-1:	C-4:	C(CN[5a]HO)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	H(CCCH)	C(CN[5a]HO)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	H(CCCH)	108.1845	0.019	2	108.1845	0.000	2	108.1845	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:O-2:H-1:	C-4:	C(CN[6]HO)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(OC)(H)	H(CCCH)	C(CN[6]HO)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(OC)(H)	H(CCCH)	108.3615	0.036	2	108.3615	0.001	2	108.3615	0.001	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]HH)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	C(CC[6a]HH)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CCHH)(CC)(H)	H(CCCH)	108.1425	0.015	2	108.1425	0.000	2	108.1425	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:I-1:	N[6a]-3:C-4:O-2:H-1:	C-4:	C(CN[6a]HO)(CHHN)(H)(I)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	H(CCCI)	C(CN[6a]HO)(CHHN)(H)(I)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	H(CCCI)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NC)(H)	H(CCHN)	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NC)(H)	H(CCHN)	109.4885	0.036	2	109.4885	0.001	2	109.4885	0.001	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(OH)(H)	H(CCHN)	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]2)(CHHN)(OH)(H)	H(CCHN)	109.5365	0.005	2	109.5365	0.000	2	109.5365	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OC)(H)	H(CCHN)	109.0790	0.033	2	109.0790	0.001	2	109.5797	0.405	68	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	C(CC[6a]HO)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	109.6050	0.709	48	109.6050	0.503	48	109.5797	0.405	68	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	C(CC[6a]HO)(NH3)(H)2	C(C[6a]C[6a]2)(CHHN)(OH)(H)	H(CCHN)	109.3594	0.100	14	109.3594	0.010	14	109.5797	0.405	68	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NMoCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OMo)(H)	H(CCHN)	C(CC[6a]HO)(NMoCH)(H)2	C(C[6a]C[6a]2)(CHHN)(OMo)(H)	H(CCHN)	110.2975	0.135	4	110.2975	0.018	4	109.5797	0.405	68	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:P-4:Cl-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(PO3)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	H(CClCP)	C(CC[6a]HO)(PO3)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	H(CClCP)	109.1747	0.120	3	109.1747	0.014	3	109.1747	0.014	3	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(PC[6a]2B)(H)2	C(C[6a]C[6a]2)(CHHP)(OH)(H)	H(CCHP)	C(CC[6a]HO)(PC[6a]2B)(H)2	C(C[6a]C[6a]2)(CHHP)(OH)(H)	H(CCHP)	109.4905	0.013	2	109.4905	0.000	2	109.4905	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(OO)(H)	H(CCHS)	C(CC[6a]HO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(OO)(H)	H(CCHS)	108.3230	0.027	2	108.3230	0.001	2	108.3230	0.001	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(SC)(H)	H(CCHS)	C(CC[6a]HS)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(SC)(H)	H(CCHS)	108.7380	0.016	2	108.7380	0.000	2	108.7380	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[3]HH)(OH)(H)	H(CC[3]CH)	109.1568	0.094	4	109.1568	0.009	4	109.1568	0.009	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[3x6]HH)(OH)(H)	H(CC[3x6]CH)	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(C[4]C[6a]C[4]N[4])(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(SC[6a])(H)	H(CC[4]CH)	C(C[4]C[6a]C[4]N[4])(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CC[4]HH)(SC[6a])(H)	H(CC[4]CH)	108.5550	0.418	3	108.5550	0.175	3	108.5550	0.175	3	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	H(CC[5,5]CH)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5,5]HH)(OH)(H)	H(CC[5,5]CH)	108.8670	0.011	2	108.8670	0.000	2	108.8670	0.000	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.6300	0.038	2	108.6300	0.001	2	108.7552	0.104	6	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.4865	0.056	2	108.4865	0.003	2	108.7552	0.104	6	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(OH)(H)	H(CC[5]CH)	109.1490	0.165	2	109.1490	0.027	2	108.7552	0.104	6	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6]2)(CC[5a]HO)(H)2	C(C[5a]C[5a]2)(CC[6,6]HH)(OH)(H)	H(CC[6,6]CH)	108.3135	0.043	2	108.3135	0.002	2	108.3135	0.002	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	107.6320	0.040	2	107.6320	0.002	2	107.5362	0.010	5	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CC[5]HO)(H)2	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[5]HO)(H)2	C(C[5]C[5]2)(CC[6]HH)(OC)(H)	H(CC[6]CH)	107.4410	0.007	2	107.4410	0.000	2	107.5362	0.010	5	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CC[5]HO)(H)2	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[5]HO)(H)2	C(C[5]C[5]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	107.5350	0.000	1	107.5350	0.000	1	107.5362	0.010	5	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	C(C[5a]C[5a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	107.1797	0.110	4	107.1797	0.012	4	107.1797	0.012	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	H(CC[6]CH)	107.0297	0.536	3	107.0297	0.287	3	107.0297	0.287	3	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	109.1720	0.357	4	109.1720	0.128	4	109.1436	0.181	7	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	109.3815	0.487	2	109.3815	0.237	2	109.1436	0.181	7	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(OH)(H)	H(CC[6]CH)	108.5540	0.000	1	108.5540	0.000	1	109.1436	0.181	7	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(SC[6a])(H)	H(CC[6]CH)	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(SC[6a])(H)	H(CC[6]CH)	109.0645	1.381	2	109.0645	1.907	2	109.0645	1.907	2	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	H(CC[6]CI)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	H(CC[6]CI)	106.4150	0.000	1	106.4150	0.000	1	106.4150	0.000	1	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	H(CN[6]CH)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	H(CN[6]CH)	108.8875	0.026	2	108.8875	0.001	2	108.8017	0.010	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:1:	4:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	H(CN[6]CH)	108.7160	0.027	2	108.7160	0.001	2	108.8017	0.010	4	108.9044	0.593	307	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-2:O-2:	C-4:	C(CC[6a]HH)(CCCO)(H)2	C(CC[6a]O)(CCHH)(CN)(OC)	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	C(CC[6a]O)(CCHH)(CN)(OC)	H(CCCH)	108.8545	0.013	2	108.8545	0.000	2	108.8545	0.000	2	108.8347	0.001	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:2:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	H(CCCH)	108.8150	0.007	2	108.8150	0.000	2	108.8150	0.000	2	108.8347	0.001	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	H(CBrCC)	C(CC[6a]CH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	H(CBrCC)	108.1705	0.091	2	108.1705	0.008	2	108.1705	0.008	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	H(CBrCC)	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	H(CBrCC)	107.4050	0.000	1	107.4050	0.000	1	107.3326	0.584	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	H(CBrCC)	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	H(CBrCC)	106.6255	0.600	2	106.6255	0.360	2	107.3326	0.584	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	H(CBrCC)	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	H(CBrCC)	108.7470	0.000	1	108.7470	0.000	1	107.3326	0.584	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	H(CBrCC)	C(CC[6a]HN)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	H(CBrCC)	107.3083	0.261	3	107.3083	0.068	3	107.3326	0.584	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:Br-1:H-1:	N[5]-3:C-4:N-3:H-1:	C-4:	C(CN[5]HN)(CH3)(Br)(H)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	H(CBrCC)	C(CN[5]HN)(CH3)(Br)(H)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	H(CBrCC)	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	H(CCCF)	C(CC[6a]HN)(CH3)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	H(CCCF)	110.0590	0.427	2	110.0590	0.182	2	110.0590	0.182	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	H(CCCH)	108.5577	0.141	4	108.5577	0.020	4	108.5577	0.020	4	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CCH)(H)	H(CCCH)	108.6345	0.011	2	108.6345	0.000	2	108.5767	0.033	6	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	H(CCCH)	108.7425	0.025	2	108.7425	0.001	2	108.5767	0.033	6	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	H(CCCH)	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	H(CCCH)	108.3530	0.014	2	108.3530	0.000	2	108.5767	0.033	6	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	H(CCCH)	108.5525	0.013	2	108.5525	0.000	2	108.5169	0.068	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CN[6]O)(CCHH)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CN[6]O)(CCHH)(NCH)(H)	H(CCCH)	108.3835	0.053	2	108.3835	0.003	2	108.5169	0.068	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]H)(CCHH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]H)(CCHH)(NCH)(H)	H(CCCH)	108.3460	0.017	2	108.3460	0.000	2	108.5169	0.068	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(CCHH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(CCHH)(NCH)(H)	H(CCCH)	109.1750	0.000	1	109.1750	0.000	1	108.5169	0.068	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	H(CCCH)	108.4565	0.019	2	108.4565	0.000	2	108.5169	0.068	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CCCH)(H)2	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	H(CCCH)	C(CC[5]HN)(CCCH)(H)2	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	H(CCCH)	108.5265	0.012	2	108.5265	0.000	2	108.5265	0.000	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	H(CCCH)	C(CC[5a]CH)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	H(CCCH)	108.9990	0.038	2	108.9990	0.001	2	108.9794	0.054	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	H(CCCH)	108.7885	0.005	2	108.7885	0.000	2	108.9794	0.054	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	H(CCCH)	108.7450	0.000	1	108.7450	0.000	1	108.9794	0.054	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	H(CCCH)	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	H(CCCH)	108.8885	0.018	2	108.8885	0.000	2	108.9794	0.054	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	H(CCCH)	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	H(CCCH)	109.3590	0.010	2	109.3590	0.000	2	108.9794	0.054	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	H(CCCH)	108.5820	0.000	1	108.5820	0.000	1	108.4729	0.107	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	H(CCCH)	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	H(CCCH)	108.2635	0.013	2	108.2635	0.000	2	108.4729	0.107	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	H(CCCH)	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	H(CCCH)	108.0430	0.025	2	108.0430	0.001	2	108.4729	0.107	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CC[6a]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[5a]HN)(CC[6a]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	H(CCCH)	108.7653	0.119	4	108.7653	0.014	4	108.4729	0.107	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CNO)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CNO)(H)	H(CCCH)	108.8910	0.013	2	108.8910	0.000	2	108.8910	0.000	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(CCHH)(H)2	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	H(CCCH)	C(CC[6]HN)(CCHH)(H)2	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	H(CCCH)	108.3185	0.060	2	108.3185	0.004	2	108.3185	0.004	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:	C(CC[6a]CF)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	H(CCCH)	C(CC[6a]CF)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	H(CCCH)	107.9140	1.045	2	107.9140	1.092	2	107.9140	1.092	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	108.4200	0.016	2	108.4200	0.000	2	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	108.0002	0.296	4	108.0002	0.087	4	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	108.2305	0.012	2	108.2305	0.000	2	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	H(CCCH)	108.9580	0.000	1	108.9580	0.000	1	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	108.0923	1.393	4	108.0923	1.941	4	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	H(CCCH)	107.8955	0.059	2	107.8955	0.003	2	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	108.2595	0.456	4	108.2595	0.208	4	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	108.5235	0.012	2	108.5235	0.000	2	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	108.7375	0.009	2	108.7375	0.000	2	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	H(CCCH)	108.7400	0.735	13	108.7400	0.540	13	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	H(CCCH)	109.1340	0.259	21	109.1340	0.067	21	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	109.1780	0.018	2	109.1780	0.000	2	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	H(CCCH)	108.5845	0.011	2	108.5845	0.000	2	108.7039	0.421	61	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.5994	0.178	9	108.5994	0.032	9	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]CO)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	H(CCCH)	C(CC[6a]CO)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	H(CCCH)	108.1860	0.000	1	108.1860	0.000	1	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	108.6997	0.225	4	108.6997	0.050	4	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CB[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CB[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.7275	0.011	2	108.7275	0.000	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	107.3315	0.015	2	107.3315	0.000	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.5595	0.032	2	108.5595	0.001	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	H(CCCH)	108.1780	0.871	2	108.1780	0.759	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.7538	0.444	6	108.7538	0.197	6	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	H(CCCH)	108.6830	0.000	1	108.6830	0.000	1	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	H(CCCH)	108.4110	0.023	3	108.4110	0.001	3	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	108.3208	1.033	6	108.3208	1.068	6	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	H(CCCH)	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	H(CCCH)	108.4905	0.023	2	108.4905	0.001	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	109.2408	0.096	4	109.2408	0.009	4	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	109.0060	0.033	2	109.0060	0.001	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	107.4705	0.006	2	107.4705	0.000	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	106.8485	0.006	2	106.8485	0.000	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.7270	0.025	2	108.7270	0.001	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CFFH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CFFH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	109.1175	0.129	4	109.1175	0.017	4	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	H(CCCH)	108.9825	0.018	2	108.9825	0.000	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.6748	0.225	4	108.6748	0.051	4	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	H(CCCH)	108.6963	1.905	6	108.6963	3.630	6	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	H(CCCH)	109.0528	0.083	4	109.0528	0.007	4	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	H(CCCH)	109.2485	0.018	2	109.2485	0.000	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.7840	0.023	2	108.7840	0.001	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	H(CCCH)	108.8000	0.008	2	108.8000	0.000	2	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CHHS)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HN)(CHHS)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	H(CCCH)	108.7853	0.176	4	108.7853	0.031	4	108.6185	0.551	82	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-3:H-1:	C-4:	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	H(CCCH)	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	H(CCCH)	108.9363	0.277	8	108.9363	0.077	8	108.9363	0.077	8	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	H(CCCH)	108.4410	0.013	2	108.4410	0.000	2	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	H(CCCH)	109.1370	0.000	1	109.1370	0.000	1	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CNO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CNO)(H)	H(CCCH)	109.0660	0.023	2	109.0660	0.001	2	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCH)(H)	H(CCCH)	108.4875	0.042	2	108.4875	0.002	2	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(NC[6a]H)(CCHH)(CCH)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(NC[6a]H)(CCHH)(CCH)(H)	H(CCCH)	108.2409	0.200	7	108.2409	0.040	7	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	H(CCCH)	109.0513	0.270	6	109.0513	0.073	6	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(CCN)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(CCN)(H)	H(CCCH)	109.0250	0.000	1	109.0250	0.000	1	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	H(CCCH)	109.1565	0.030	2	109.1565	0.001	2	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	H(CCCH)	108.6495	0.026	2	108.6495	0.001	2	108.7103	0.168	25	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[3]-3:C-4:N-3:H-1:	C-4:	C(CN[3]HN)(CCHH)(H)2	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	H(CCCH)	C(CN[3]HN)(CCHH)(H)2	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	H(CCCH)	109.1610	0.013	2	109.1610	0.000	2	109.1610	0.000	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:F-1:	C-4:	C(CN[5]CF)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(F)	H(CCCH)	C(CN[5]CF)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(F)	H(CCCH)	109.4750	0.040	2	109.4750	0.002	2	109.4750	0.002	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	108.4000	0.018	2	108.4000	0.000	2	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	108.4076	0.240	5	108.4076	0.057	5	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COS)(H)	H(CCCH)	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COS)(H)	H(CCCH)	108.7495	0.012	2	108.7495	0.000	2	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	108.6695	0.005	2	108.6695	0.000	2	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CCH)(H)	H(CCCH)	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CCH)(H)	H(CCCH)	109.7390	0.615	4	109.7390	0.378	4	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	109.1566	0.148	42	109.1566	0.022	42	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	109.1812	0.096	6	109.1812	0.009	6	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	H(CCCH)	108.9570	0.034	2	108.9570	0.001	2	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	H(CCCH)	109.1202	0.246	6	109.1202	0.061	6	109.0835	0.121	71	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:O-3:H-1:	C-4:	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	H(CCCH)	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	H(CCCH)	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	H(CCCH)	C(CC[6a]HH)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	H(CCCH)	109.0782	0.426	6	109.0782	0.182	6	108.6473	0.260	14	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(COO)(H)	H(CCCH)	108.4878	0.079	4	108.4878	0.006	4	108.6473	0.260	14	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	H(CCCH)	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	H(CCCH)	108.4315	0.029	2	108.4315	0.001	2	108.6473	0.260	14	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(CCHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	H(CCCH)	C(CN[5a]CH)(CCHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	H(CCCH)	107.8895	0.016	2	107.8895	0.000	2	108.6473	0.260	14	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CN[6]CH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	C(CC[6a]HH)(CN[6]CH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	112.4010	1.274	2	112.4010	1.624	2	109.9033	4.145	6	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	H(CCCH)	108.6545	0.358	4	108.6545	0.128	4	109.9033	4.145	6	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NCCH)(H)2	C(CN[5]O)(CHHN)(NCH)(H)	H(CCHN)	108.8480	0.010	2	108.8480	0.000	2	108.8480	0.000	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	H(CCHN)	C(CC[6a]HN)(NCHH)(H)2	C(C[6a]C[6a]2)(CHHN)(NHS)(H)	H(CCHN)	108.8617	0.056	3	108.8617	0.003	3	108.8617	0.003	3	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(CC[6a]HO)(NCoCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OCoH)(H)	H(CCHN)	C(CC[6a]HO)(NCoCC)(H)2	C(C[6a]C[6a]2)(CHHN)(OCoH)(H)	H(CCHN)	109.5207	0.792	4	109.5207	0.627	4	109.2681	0.499	8	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(CC[6a]HO)(NNiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(ONiH)(H)	H(CCHN)	C(CC[6a]HO)(NNiCC)(H)2	C(C[6a]C[6a]2)(CHHN)(ONiH)(H)	H(CCHN)	109.0155	0.605	4	109.0155	0.366	4	109.2681	0.499	8	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:S-4:F-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(SC[6a]OO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	H(CCFS)	C(CC[6a]CH)(SC[6a]OO)(F)(H)	C(C[6a]C[6a]2)(CFHS)(CCH)(H)	H(CCFS)	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(SFOO)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	H(CCHS)	C(CC[6a]CH)(SFOO)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHS)(CCH)(H)	H(CCHS)	108.8235	0.035	2	108.8235	0.001	2	108.8235	0.001	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(SiSi3)(H)2	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	H(CSiCH)	C(CC[6a]CH)(SiSi3)(H)2	C(C[6a]C[6a]2)(CSiHH)(COO)(H)	H(CSiCH)	108.2115	0.015	2	108.2115	0.000	2	108.2115	0.000	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[5]O[5]2C)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCN)(H)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCN)(H)	H(CC[5]CH)	108.5230	0.016	2	108.5230	0.000	2	108.5230	0.000	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	H(CC[5]CH)	108.2035	0.035	2	108.2035	0.001	2	108.6020	0.213	4	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(NC[6a]H)(H)	H(CC[5]CH)	109.0005	0.059	2	109.0005	0.003	2	108.6020	0.213	4	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	108.6945	0.009	2	108.6945	0.000	2	108.8817	0.200	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	108.4870	0.011	2	108.4870	0.000	2	108.8817	0.200	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	108.3970	0.000	1	108.3970	0.000	1	108.8817	0.200	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	H(CC[5]CH)	109.2938	0.318	4	109.2938	0.101	4	108.8817	0.200	9	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HN)(H)2	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]HN)(H)2	C(C[5]N[5]O[5])(CC[6]HH)(NCH)(H)	H(CC[6]CH)	108.2855	0.004	2	108.2855	0.000	2	108.2855	0.000	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2C)(CC[5a]CH)(H)2	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[5a]CH)(H)2	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	H(CC[6]CH)	107.2360	0.145	4	107.2360	0.021	4	107.2360	0.021	4	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCC)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCC)(H)	H(CC[6]CH)	108.1730	0.008	2	108.1730	0.000	2	108.0567	0.195	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(COO)(H)	H(CC[6]CH)	108.5915	0.008	2	108.5915	0.000	2	108.0567	0.195	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCH)(H)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCH)(H)	H(CC[6]CH)	107.5760	0.000	1	107.5760	0.000	1	108.0567	0.195	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CC[6a]O)(H)	H(CC[6]CH)	107.6460	0.034	2	107.6460	0.001	2	108.0567	0.195	7	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(NC[6a]H)(H)	H(CC[6]CH)	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(N[6]C[6]2Al)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OAl2)(H)	H(CN[6]CH)	C(N[6]C[6]2Al)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OAl2)(H)	H(CN[6]CH)	110.0035	1.322	2	110.0035	1.747	2	110.0035	1.747	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(PC[6a]2Pd)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	H(CCHP)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CHHP)(NHS)(H)	H(CCHP)	107.9055	0.209	4	107.9055	0.044	4	107.9055	0.044	4	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:1:	4:	S-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(SC[6a]OO)(CN[5]CH)(H)2	C(N[5]C[5]2)(CHHS)(CNO)(H)	H(CCHS)	C(SC[6a]OO)(CN[5]CH)(H)2	C(N[5]C[5]2)(CHHS)(CNO)(H)	H(CCHS)	108.4605	0.036	2	108.4605	0.001	2	108.4605	0.001	2	108.7367	0.498	384	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:2:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-3:O-2:	C-4:	C(CC[6]CO)(CC[6]OO)(H)2	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	H(CCCH)	C(CC[6]CO)(CC[6]OO)(H)2	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	H(CCCH)	108.1425	0.043	2	108.1425	0.002	2	108.1425	0.002	2	108.6065	0.238	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:C-2:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	H(CCCH)	108.8953	0.402	6	108.8953	0.161	6	108.8953	0.161	6	108.6065	0.238	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:N-2:	C-4:	C(CC[6a]CN)(CClCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	H(CCCH)	C(CC[6a]CN)(CClCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	H(CCCH)	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	108.6065	0.238	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	H(CCCH)	C(CC[6a]CO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	H(CCCH)	107.3760	0.000	1	107.3760	0.000	1	108.4480	0.862	3	108.6065	0.238	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	H(CCCH)	108.9840	0.010	2	108.9840	0.000	2	108.4480	0.862	3	108.6065	0.238	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:C-2:	C-4:	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	H(CCCH)	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	H(CCCH)	108.5190	0.038	4	108.5190	0.001	4	108.5190	0.001	4	108.6065	0.238	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:3:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:N-3:	C-4:	C(CC[5a]NN)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(NOO)2	H(CCCH)	C(CC[5a]NN)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(NOO)2	H(CCCH)	109.0545	0.043	2	109.0545	0.002	2	109.0545	0.002	2	108.9190	0.025	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CBrC)(CHO)	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CBrC)(CHO)	H(CCCH)	108.7835	0.021	2	108.7835	0.000	2	108.7835	0.000	2	108.9190	0.025	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:4:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-3:C-4:	C-4:	C(CC[6]CO)(CC[6]OO)(H)2	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	H(CCCH)	C(CC[6]CO)(CC[6]OO)(H)2	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	H(CCCH)	108.2725	0.028	2	108.2725	0.001	2	107.7958	0.145	6	107.7958	0.145	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:3:4:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-3:C-4:	C-4:	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	H(CCCH)	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	H(CCCH)	107.5575	0.122	4	107.5575	0.015	4	107.7958	0.145	6	107.7958	0.145	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	H(CBCH)	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	H(CBCH)	108.6265	0.033	2	108.6265	0.001	2	108.6265	0.001	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(BC[6a]3)(CCHN)(H)2	C(NC[6a]C)(CBHH)(CCHH)(H)	H(CBCH)	C(BC[6a]3)(CCHN)(H)2	C(NC[6a]C)(CBHH)(CCHH)(H)	H(CBCH)	108.5240	1.219	4	108.5240	1.486	4	108.5240	1.486	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(BC[6a]2N)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	C(BC[6a]2N)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	108.0140	0.000	1	108.0140	0.000	1	108.2651	0.344	12	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(BC[6a]2N[6])(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	C(BC[6a]2N[6])(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	108.6385	0.015	2	108.6385	0.000	2	108.2651	0.344	12	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(BC[6a]2O)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	C(BC[6a]2O)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	107.8118	0.281	5	107.8118	0.079	5	108.2651	0.344	12	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(BC[6a]N[6]C)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	C(BC[6a]N[6]C)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	108.1360	0.048	2	108.1360	0.002	2	108.2651	0.344	12	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	B-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(BC[6a]N[6]H)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	C(BC[6a]N[6]H)(CCHP)(H)2	C(PC[6a]2)(CBHH)(CH3)(H)	H(CBCH)	109.2795	0.054	2	109.2795	0.003	2	108.2651	0.344	12	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	H(CBCH)	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	H(CBCH)	108.5555	0.025	2	108.5555	0.001	2	108.7073	0.069	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	H(CBCH)	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	H(CBCH)	109.0110	0.000	1	109.0110	0.000	1	108.7073	0.069	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:C-4:Br-1:	C-4:	C(CC[6a]BrC)(CHHN)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	H(CBrCC)	C(CC[6a]BrC)(CHHN)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	H(CBrCC)	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:Br-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(Br)(H)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	H(CBrCC)	C(CCHN)(CHHN)(Br)(H)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	H(CBrCC)	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	H(CClCC)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	H(CClCC)	107.8350	0.000	1	107.8350	0.000	1	107.6613	0.093	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	H(CClCC)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	H(CClCC)	107.5745	0.375	2	107.5745	0.141	2	107.6613	0.093	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(CC3)(H)2	C(B[5]O[5]2)(CCHH)2(H)	H(CCCH)	C(CB[5]CH)(CC3)(H)2	C(B[5]O[5]2)(CCHH)2(H)	H(CCCH)	108.1595	0.132	4	108.1595	0.017	4	108.5624	0.219	13	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(CCHH)(H)2	C(B[5]C[5]O[5])(CCHH)2(H)	H(CCCH)	C(CB[5]CH)(CCHH)(H)2	C(B[5]C[5]O[5])(CCHH)2(H)	H(CCCH)	108.3730	0.353	4	108.3730	0.125	4	108.5624	0.219	13	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(CHHO)(H)2	C(B[5]O[5]2)(CCHH)2(H)	H(CCCH)	C(CB[5]CH)(CHHO)(H)2	C(B[5]O[5]2)(CCHH)2(H)	H(CCCH)	109.0660	0.302	4	109.0660	0.091	4	108.5624	0.219	13	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	H(CCCH)	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	H(CCCH)	108.9170	0.000	1	108.9170	0.000	1	108.5624	0.219	13	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CC3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCCH)	108.2490	0.070	6	108.2490	0.005	6	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(H)2	C(CC[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CC[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.2352	0.244	4	108.2352	0.059	4	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5,5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5,5]O)(CCHH)(CH3)(H)	H(CCCH)	108.6640	0.451	4	108.6640	0.203	4	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.6710	0.027	2	108.6710	0.001	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)2(H)	H(CCCH)	107.4765	1.174	4	107.4765	1.379	4	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCCH)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCCH)(CCHH)(H)	H(CCCH)	108.8822	0.047	6	108.8822	0.002	6	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	H(CCCH)	108.2615	0.005	2	108.2615	0.000	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CCHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CCHO)(H)	H(CCCH)	108.1235	0.552	2	108.1235	0.305	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.9465	0.025	2	108.9465	0.001	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHI)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHI)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.2638	0.521	4	108.2638	0.271	4	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[3,6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[3,6]O)(CCHH)(CH3)(H)	H(CCCH)	108.6505	0.066	2	108.6505	0.004	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6,6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6,6]O)(CCHH)(CH3)(H)	H(CCCH)	108.9419	0.084	8	108.9419	0.007	8	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6]O)(CCHH)(CH3)(H)	H(CCCH)	108.7531	0.156	10	108.7531	0.024	10	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCCH)	109.1986	0.366	9	109.1986	0.134	9	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.9865	0.036	2	108.9865	0.001	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[6]O)(CCHH)(CH3)(H)	H(CCCH)	108.8935	0.173	8	108.8935	0.030	8	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CC[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)2(H)2	C(CC[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.6220	0.028	2	108.6220	0.001	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	H(CCCH)	108.5017	0.291	6	108.5017	0.085	6	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)2(H)2	C(CN[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.8625	0.026	2	108.8625	0.001	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(H)2	C(CN[6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CCCH)(H)2	C(CN[6]O)(CCHH)(CH3)(H)	H(CCCH)	108.7275	0.033	2	108.7275	0.001	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CFeCH)(CCCH)(H)2	C(CC[6a]N)(CFeCH)(CCHH)(H)	H(CCCH)	C(CFeCH)(CCCH)(H)2	C(CC[6a]N)(CFeCH)(CCHH)(H)	H(CCCH)	109.6545	1.496	2	109.6545	2.237	2	108.6783	0.293	89	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(CCHH)(H)2	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	H(CCCH)	C(CC[4]CH)(CCHH)(H)2	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	H(CCCH)	109.0765	0.011	2	109.0765	0.000	2	109.0765	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[3]HO)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[3]HO)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	108.4540	0.114	4	108.4540	0.013	4	108.5260	0.120	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CCCO)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CCCO)(CCHH)(H)	H(CCCH)	109.0620	0.000	2	109.0620	0.000	2	108.5260	0.120	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	H(CCCH)	108.5790	0.081	6	108.5790	0.007	6	108.5260	0.120	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	H(CCCH)	109.0360	0.030	2	109.0360	0.001	2	108.5260	0.120	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	108.0486	0.086	5	108.0486	0.007	5	108.5260	0.120	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	H(CCCH)	108.6590	0.008	2	108.6590	0.000	2	108.5260	0.120	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	109.4487	0.130	3	109.4487	0.017	3	109.4487	0.017	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:S-4:C-4:H-1:	C-4:	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	H(CCCH)	113.6300	4.673	2	113.6300	21.833	2	113.6300	21.833	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	H(CCCH)	108.6165	0.030	2	108.6165	0.001	2	108.4798	0.624	34	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	H(CCCH)	108.7240	0.052	2	108.7240	0.003	2	108.4798	0.624	34	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	H(CCCH)	108.0835	0.937	17	108.0835	0.879	17	108.4798	0.624	34	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	H(CCCH)	108.8080	0.007	2	108.8080	0.000	2	108.4798	0.624	34	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CC[6]HH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5a]CH)(CC[6]HH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	H(CCCH)	109.0345	0.035	2	109.0345	0.001	2	108.4798	0.624	34	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	H(CCCH)	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	H(CCCH)	109.2244	0.108	5	109.2244	0.012	5	108.4798	0.624	34	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]N[5a]O[5a])(CCHH)2(H)	H(CCCH)	C(CC[5a]CH)(CH3)(H)2	C(C[5a]N[5a]O[5a])(CCHH)2(H)	H(CCCH)	108.6015	0.063	4	108.6015	0.004	4	108.4798	0.624	34	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:P-4:H-1:	C-4:	C(CC[5a]HP)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	H(CCCH)	C(CC[5a]HP)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	H(CCCH)	109.0515	0.009	2	109.0515	0.000	2	109.0515	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:S-4:C-4:H-1:	C-4:	C(CC[5a]HS)(CH3)(H)2	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CC[5a]HS)(CH3)(H)2	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	H(CCCH)	109.3387	0.066	6	109.3387	0.004	6	109.3387	0.004	6	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	H(CCCH)	107.6905	0.360	4	107.6905	0.129	4	108.7173	0.433	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CH3)(H)	H(CCCH)	108.8335	0.088	2	108.8335	0.008	2	108.7173	0.433	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	H(CCCH)	108.7250	0.007	2	108.7250	0.000	2	108.7173	0.433	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	H(CCCH)	108.7220	0.035	2	108.7220	0.001	2	108.7173	0.433	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	H(CCCH)	109.2209	0.530	8	109.2209	0.281	8	108.7173	0.433	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	H(CCCH)	108.5985	0.009	2	108.5985	0.000	2	108.7173	0.433	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2)(CCCH)(CCHH)(H)	H(CCCH)	108.7760	0.000	1	108.7760	0.000	1	108.7173	0.433	21	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:Br-1:	C-4:	C(CC[6a]BrC)(CCHH)(H)2	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	H(CCCH)	C(CC[6a]BrC)(CCHH)(H)2	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	H(CCCH)	107.9195	0.039	2	107.9195	0.002	2	107.9195	0.002	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]HO)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[5a]HO)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	108.7840	0.058	2	108.7840	0.003	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	107.3660	0.000	1	107.3660	0.000	1	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	H(CCCH)	108.1160	0.331	4	108.1160	0.110	4	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.1925	0.009	2	108.1925	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCH)	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCH)	107.6570	0.025	2	107.6570	0.001	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	H(CCCH)	108.8005	0.073	2	108.8005	0.005	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	H(CCCH)	108.4022	0.341	4	108.4022	0.117	4	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	108.5915	0.008	2	108.5915	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	H(CCCH)	108.8660	0.021	2	108.8660	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	107.9899	1.730	11	107.9899	2.992	11	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCCH)	108.1930	0.000	1	108.1930	0.000	1	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.4466	0.373	38	108.4466	0.139	38	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	110.3570	0.197	2	110.3570	0.039	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	109.0238	0.046	5	109.0238	0.002	5	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	H(CCCH)	109.3145	0.013	2	109.3145	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	H(CCCH)	108.6937	0.396	4	108.6937	0.156	4	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	H(CCCH)	108.9785	0.029	2	108.9785	0.001	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	H(CCCH)	108.7680	0.270	5	108.7680	0.073	5	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.0965	0.009	2	108.0965	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CC[5]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	107.0715	0.023	2	107.0715	0.001	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6]CC)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[6]CC)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	107.5162	0.157	4	107.5162	0.025	4	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	H(CCCH)	108.8675	0.037	2	108.8675	0.001	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	H(CCCH)	109.2385	0.022	2	109.2385	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	H(CCCH)	109.0550	0.010	2	109.0550	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	108.5600	0.042	2	108.5600	0.002	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.5502	0.187	6	108.5502	0.035	6	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	H(CCCH)	108.6385	0.015	2	108.6385	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.6303	0.080	3	108.6303	0.006	3	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.6760	0.011	2	108.6760	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	H(CCCH)	108.7420	0.006	2	108.7420	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	108.9254	0.286	28	108.9254	0.082	28	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	109.2783	0.032	3	109.2783	0.001	3	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	109.0395	1.455	12	109.0395	2.118	12	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	H(CCCH)	108.9540	0.051	2	108.9540	0.003	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.6600	0.641	119	108.6600	0.411	119	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	H(CCCH)	107.9809	1.543	10	107.9809	2.380	10	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	H(CCCH)	109.1610	0.116	34	109.1610	0.013	34	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	H(CCCH)	108.0460	0.000	1	108.0460	0.000	1	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	H(CCCH)	109.0075	0.248	8	109.0075	0.061	8	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	H(CCCH)	109.1490	0.093	2	109.1490	0.009	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	H(CCCH)	109.0110	0.037	2	109.0110	0.001	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	H(CCCH)	108.6260	0.021	2	108.6260	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	H(CCCH)	112.3365	0.149	2	112.3365	0.022	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	109.1305	0.013	2	109.1305	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.7450	0.020	2	108.7450	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	H(CCCH)	108.2160	0.000	1	108.2160	0.000	1	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CCCH)	108.9755	0.059	2	108.9755	0.003	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	H(CCCH)	109.2595	0.009	2	109.2595	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCH)	109.1285	0.028	2	109.1285	0.001	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	H(CCCH)	109.0653	0.157	13	109.0653	0.025	13	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.5343	0.668	7	108.5343	0.446	7	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	H(CCCH)	109.4175	0.053	2	109.4175	0.003	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	H(CCCH)	109.0277	0.200	4	109.0277	0.040	4	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	H(CCCH)	109.3730	0.132	4	109.3730	0.018	4	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	H(CCCH)	108.4915	0.009	2	108.4915	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.4815	0.006	2	108.4815	0.000	2	108.7281	0.568	392	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(CCCH)	109.1960	0.000	1	109.1960	0.000	1	109.1753	0.001	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(CCCH)	109.1650	0.025	2	109.1650	0.001	2	109.1753	0.001	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-4:H-1:	C-4:	C(CC[6a]HS)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	H(CCCH)	C(CC[6a]HS)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	H(CCCH)	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:Si-4:H-1:	C-4:	C(CC[6a]SiH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	H(CCCH)	C(CC[6a]SiH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	H(CCCH)	108.6565	0.039	2	108.6565	0.002	2	108.6565	0.002	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(CCCH)	108.7770	0.018	2	108.7770	0.000	2	108.8605	0.010	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	H(CCCH)	108.9440	0.034	2	108.9440	0.001	2	108.8605	0.010	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	109.2490	0.566	2	109.2490	0.320	2	108.6560	0.207	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.3944	0.203	8	108.3944	0.041	8	108.6560	0.207	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.5670	0.119	2	108.5670	0.014	2	108.6560	0.207	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCrCH)(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCrCH)(H)2	C(C[6a]C[6a]N[6a])(C[6]C[6]2Cr)(CCHH)(H)	H(CCCH)	109.4075	0.006	2	109.4075	0.000	2	108.6560	0.207	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	H(CCCH)	108.4470	0.061	2	108.4470	0.004	2	108.6560	0.207	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	H(CCCH)	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	H(CCCH)	108.1217	0.041	4	108.1217	0.002	4	108.1217	0.002	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	109.5720	0.006	2	109.5720	0.000	2	109.4191	0.089	9	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	109.7060	0.071	2	109.7060	0.005	2	109.4191	0.089	9	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	H(CCCH)	109.4430	0.141	3	109.4430	0.020	3	109.4191	0.089	9	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CHHO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CHHO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CCCH)	108.9435	0.066	2	108.9435	0.004	2	109.4191	0.089	9	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:H-1:	C-4:	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	H(CCCH)	109.3575	0.008	2	109.3575	0.000	2	109.3575	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NC[6a]C)(CCCH)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NC[6a]C)(CCCH)(CCHH)(H)	H(CCCH)	108.4920	0.010	2	108.4920	0.000	2	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	108.0245	0.017	4	108.0245	0.000	4	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCCH)	107.7977	0.069	3	107.7977	0.005	3	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a]S)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NC[6a]S)(CCHH)(CH3)(H)	H(CCCH)	107.6125	0.045	2	107.6125	0.002	2	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCCS)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	C(CCCS)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	H(CCCH)	107.6185	0.038	6	107.6185	0.001	6	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCCS)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCCH)	C(CCCS)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCCH)	107.7030	0.006	2	107.7030	0.000	2	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.6287	0.166	3	108.6287	0.028	3	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CBHH)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CBHH)(CCHH)(H)	H(CCCH)	107.9988	2.020	4	107.9988	4.080	4	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCHO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCHO)(H)	H(CCCH)	109.1315	0.025	2	109.1315	0.001	2	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	H(CCCH)	108.2665	0.020	4	108.2665	0.000	4	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[5]Al)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[5]Al)(CCHH)(CH3)(H)	H(CCCH)	108.9300	0.000	1	108.9300	0.000	1	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	H(CCCH)	109.1135	0.057	2	109.1135	0.003	2	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)2(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)2(H)	H(CCCH)	108.8042	0.147	4	108.8042	0.022	4	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	H(CCCH)	108.7800	0.136	8	108.7800	0.019	8	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)2(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)2(H)	H(CCCH)	108.7250	0.469	4	108.7250	0.220	4	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.3043	0.308	7	108.3043	0.095	7	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)2(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)2(H)	H(CCCH)	108.4628	0.171	5	108.4628	0.029	5	108.3490	0.432	63	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CN[4]CH)(H)2	C(N[4]C[4]2)(CCHH)2(H)	H(CCCH)	C(CC[6a]HH)(CN[4]CH)(H)2	C(N[4]C[4]2)(CCHH)2(H)	H(CCCH)	108.4085	0.013	2	108.4085	0.000	2	108.4085	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CN[5]CH)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]HH)(CN[5]CH)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	H(CCCH)	108.6920	0.037	3	108.6920	0.001	3	108.4803	0.393	143	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)2(H)	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)2(H)	H(CCCH)	108.4848	0.069	4	108.4848	0.005	4	108.4803	0.393	143	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)2(H)	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)2(H)	H(CCCH)	108.5023	0.516	119	108.5023	0.266	119	108.4803	0.393	143	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	H(CCCH)	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	H(CCCH)	108.8440	0.011	2	108.8440	0.000	2	108.4803	0.393	143	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	H(CCCH)	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	H(CCCH)	107.5533	1.902	6	107.5533	3.617	6	108.4803	0.393	143	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)2(H)	H(CCCH)	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)2(H)	H(CCCH)	108.7686	0.062	7	108.7686	0.004	7	108.4803	0.393	143	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CN[5]CH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	108.2530	0.028	2	108.2530	0.001	2	108.4803	0.393	143	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)2(H)	H(CCCH)	C(CN[5a]CH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)2(H)	H(CCCH)	108.9248	0.040	4	108.9248	0.002	4	108.5891	0.368	15	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	H(CCCH)	108.7902	0.228	6	108.7902	0.052	6	108.5891	0.368	15	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	H(CCCH)	107.6280	0.828	3	107.6280	0.686	3	108.5891	0.368	15	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	H(CCCH)	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	H(CCCH)	108.7565	0.016	2	108.7565	0.000	2	108.5891	0.368	15	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)2(H)	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)2(H)	H(CCCH)	108.7378	0.368	6	108.7378	0.135	6	108.3889	0.605	45	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(CCHS)(H)	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(CCHS)(H)	H(CCCH)	108.0935	0.037	2	108.0935	0.001	2	108.3889	0.605	45	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)2(H)	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)2(H)	H(CCCH)	106.7735	0.826	6	106.7735	0.682	6	108.3889	0.605	45	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)2(H)	H(CCCH)	C(CN[6]CH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)2(H)	H(CCCH)	108.6530	0.357	31	108.6530	0.127	31	108.3889	0.605	45	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(CBrHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CN[6a]CH)(CBrHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.5072	0.181	4	108.5072	0.033	4	108.6445	0.215	62	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.9723	0.738	4	108.9723	0.545	4	108.6445	0.215	62	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.3955	0.616	21	108.3955	0.379	21	108.6445	0.215	62	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	H(CCCH)	108.7759	0.212	31	108.7759	0.045	31	108.6445	0.215	62	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	H(CCCH)	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	H(CCCH)	108.8405	0.022	2	108.8405	0.000	2	108.6445	0.215	62	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(PC[6a]C)(CCHH)2(H)	H(CCCH)	C(CCHH)(CCHP)(H)2	C(PC[6a]C)(CCHH)2(H)	H(CCCH)	108.1961	0.100	7	108.1961	0.010	7	108.2968	0.048	9	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CCHP)(H)2	C(PC[6a]2)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CCHP)(H)2	C(PC[6a]2)(CCHH)(CH3)(H)	H(CCCH)	108.6490	0.033	2	108.6490	0.001	2	108.2968	0.048	9	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	Se-3:C-4:C-4:H-1:	C-4:	C(CSeCH)(CSeHH)(H)2	C(SeFe2)(CCHH)(CH3)(H)	H(CCCH)	C(CSeCH)(CSeHH)(H)2	C(SeFe2)(CCHH)(CH3)(H)	H(CCCH)	106.8670	2.092	3	106.8670	4.375	3	106.8670	4.375	3	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCHN)	108.7190	0.004	2	108.7190	0.000	2	109.0863	0.053	43	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	H(CCHN)	109.0934	0.233	35	109.0934	0.054	35	109.0863	0.053	43	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	H(CCHN)	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	H(CCHN)	109.1672	0.123	6	109.1672	0.015	6	109.0863	0.053	43	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NCCH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	H(CCHN)	108.5580	0.469	9	108.5580	0.220	9	108.4252	0.263	11	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(NMgCC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	H(CCHN)	C(CC[6a]C[6]H)(NMgCC)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CHHN)(H)	H(CCHN)	107.8275	0.035	2	107.8275	0.001	2	108.4252	0.263	11	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(CC[6a]HN)(NRuCC)(H)2	C(C[6a]C[6a]2)(NRuHH)(CHHN)(H)	H(CCHN)	C(CC[6a]HN)(NRuCC)(H)2	C(C[6a]C[6a]2)(NRuHH)(CHHN)(H)	H(CCHN)	109.3090	0.199	2	109.3090	0.040	2	109.3090	0.040	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	H(CN[6]CH)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	H(CN[6]CH)	109.8328	2.945	4	109.8328	8.676	4	109.8328	8.676	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(PSeOO)(H)2	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	H(CCHP)	C(CC[6a]CH)(PSeOO)(H)2	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	H(CCHP)	108.6155	0.042	2	108.6155	0.002	2	108.6155	0.002	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(SC[5a]OO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	H(CCHS)	C(CC[6a]CH)(SC[5a]OO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	H(CCHS)	108.1090	0.777	4	108.1090	0.604	4	108.1782	0.268	10	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	H(CCHS)	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	H(CCHS)	108.6600	0.014	2	108.6600	0.000	2	108.1782	0.268	10	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	H(CCHS)	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	H(CCHS)	108.0065	0.030	4	108.0065	0.001	4	108.1782	0.268	10	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	H(CCHS)	C(CC[6a]C[3]H)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	H(CCHS)	108.0320	0.034	2	108.0320	0.001	2	108.0320	0.001	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(SO3)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	H(CCHS)	C(CC[6a]HP)(SO3)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CHHS)(H)	H(CCHS)	109.1725	0.008	2	109.1725	0.000	2	109.1725	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:Si-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	H(CSiCH)	C(CC[6a]CH)(SiC3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	H(CSiCH)	107.9587	0.115	6	107.9587	0.013	6	107.9587	0.013	6	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:Si-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(SiC3)(H)2	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	H(CSiCH)	C(CN[5a]CH)(SiC3)(H)2	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	H(CSiCH)	107.8025	0.016	2	107.8025	0.000	2	107.8025	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCCH)(H)2	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CCCH)(H)2	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	108.7350	0.014	2	108.7350	0.000	2	107.5834	0.287	15	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCCH)(H)2	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CCCH)(H)2	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	107.4062	0.283	13	107.4062	0.080	13	107.5834	0.287	15	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	H(CC[3]CH)	108.7885	0.005	2	108.7885	0.000	2	108.7885	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.7807	0.186	12	108.7807	0.035	12	108.7794	0.029	14	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.7710	0.017	2	108.7710	0.000	2	108.7794	0.029	14	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.8432	0.082	4	107.8432	0.007	4	107.8432	0.007	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	H(CC[5]CH)	107.7016	0.998	10	107.7016	0.996	10	108.1477	1.842	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.8612	0.180	4	107.8612	0.032	4	108.1477	1.842	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	H(CC[5]CH)	110.9510	0.733	2	110.9510	0.537	2	108.1477	1.842	16	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]Rh)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]Rh)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	H(CC[5]CH)	109.2980	0.096	4	109.2980	0.009	4	109.3145	0.006	6	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(C[5]C[5]2Rh)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Rh)(CC[5]HH)(H)	H(CC[5]CH)	109.3475	0.032	2	109.3475	0.001	2	109.3145	0.006	6	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	H(CC[5]CH)	108.4665	0.114	2	108.4665	0.013	2	108.4665	0.013	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	H(CC[6]CH)	109.0030	0.018	2	109.0030	0.000	2	109.0030	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	H(CC[6]CH)	108.2462	0.243	6	108.2462	0.059	6	108.2462	0.059	6	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(N[6]C[6]2Li)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(NLi2C)(H)	H(CN[6]CH)	C(N[6]C[6]2Li)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(NLi2C)(H)	H(CN[6]CH)	108.9441	0.141	7	108.9441	0.020	7	108.9441	0.020	7	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	P-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(PC[6a]2Ru)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NRuCC)(CHHP)(H)	H(CCHP)	C(PC[6a]2Ru)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NRuCC)(CHHP)(H)	H(CCHP)	110.0315	0.021	2	110.0315	0.000	2	108.9228	4.115	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	P-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:	C(PC[6a]RhC)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NC[6a]RhH)(CHHP)(H)	H(CCHP)	C(PC[6a]RhC)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(NC[6a]RhH)(CHHP)(H)	H(CCHP)	107.8140	2.725	2	107.8140	7.427	2	108.9228	4.115	4	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	S-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	H(CCHS)	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	H(CCHS)	108.5195	0.029	2	108.5195	0.001	2	108.5195	0.001	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:1:	4:	Si-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(SiC[6a]CC)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	H(CSiCH)	C(SiC[6a]CC)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	H(CSiCH)	108.2035	0.008	2	108.2035	0.000	2	108.2035	0.000	2	108.6206	0.589	1162	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:C-2:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]N)(CCHH)(CH3)(CC)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]N)(CCHH)(CH3)(CC)	H(CCCH)	108.9370	0.004	2	108.9370	0.000	2	108.9370	0.000	2	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCH)(CCCO)(H)2	C(CC[5]O)(CCHH)(CH3)(OH)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CC[5]O)(CCHH)(CH3)(OH)	H(CCCH)	108.2297	0.317	4	108.2297	0.101	4	108.2297	0.101	4	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CH3)(OH)	H(CCCH)	108.4785	0.006	2	108.4785	0.000	2	108.4785	0.000	2	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	H(CCCH)	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	H(CCCH)	107.6472	0.102	6	107.6472	0.010	6	107.8402	0.068	10	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	H(CCCH)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	H(CCCH)	108.1170	0.017	2	108.1170	0.000	2	107.8402	0.068	10	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	H(CCCH)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	H(CCCH)	108.1425	0.009	2	108.1425	0.000	2	107.8402	0.068	10	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	H(CCCH)	108.6920	0.358	2	108.6920	0.128	2	108.6935	0.043	4	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	H(CCCH)	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	H(CCCH)	108.6950	0.010	2	108.6950	0.000	2	108.6935	0.043	4	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	H(CCCH)	108.7215	0.019	2	108.7215	0.000	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	H(CCCH)	108.4868	0.386	4	108.4868	0.149	4	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	H(CCCH)	108.2430	0.659	4	108.2430	0.434	4	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	H(CCCH)	108.9455	2.391	2	108.9455	5.716	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	C(CC[6a]CO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	110.7310	7.234	2	110.7310	52.326	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	H(CCCH)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	H(CCCH)	108.0070	0.007	2	108.0070	0.000	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	H(CCCH)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	H(CCCH)	108.0998	0.023	4	108.0998	0.001	4	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	C(CC[6a]CO)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	108.1460	0.000	1	108.1460	0.000	1	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCl2C)(H)2	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	H(CCCH)	C(CC[6a]CO)(CCl2C)(H)2	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	H(CCCH)	107.2045	0.008	2	107.2045	0.000	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	H(CCCH)	109.1342	0.024	4	109.1342	0.001	4	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	H(CCCH)	108.4970	0.058	2	108.4970	0.003	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	H(CCCH)	104.4897	9.634	2	104.4897	92.816	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	H(CCCH)	108.4880	0.007	2	108.4880	0.000	2	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	H(CCCH)	C(CC[6a]CO)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	H(CCCH)	109.0772	0.321	12	109.0772	0.103	12	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	H(CCCH)	C(CC[6a]CO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	H(CCCH)	108.4822	0.243	4	108.4822	0.059	4	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	H(CCCH)	107.4749	0.038	13	107.4749	0.001	13	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	H(CCCH)	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	H(CCCH)	107.5873	0.211	17	107.5873	0.045	17	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	H(CCCH)	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	H(CCCH)	107.6743	0.239	12	107.6743	0.057	12	108.0799	2.537	91	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:Si-4:O-2:	C-4:	C(CC[6a]SiO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	H(CCCH)	C(CC[6a]SiO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	H(CCCH)	107.8565	0.053	2	107.8565	0.003	2	107.8565	0.003	2	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-2:	C-4:	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	H(CCCH)	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	H(CCCH)	108.9625	0.042	2	108.9625	0.002	2	108.9625	0.002	2	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-2:	C-4:	C(CC[6a]C[6]O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	H(CCCH)	C(CC[6a]C[6]O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	H(CCCH)	109.3175	0.011	2	109.3175	0.000	2	109.3175	0.000	2	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:C-2:	C-4:	C(CC[6a]CS)(CCHH)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	H(CCCH)	C(CC[6a]CS)(CCHH)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	H(CCCH)	109.1935	0.015	2	109.1935	0.000	2	109.1935	0.000	2	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(NCHH)(H)2	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	H(CCHN)	C(CC[6a]CO)(NCHH)(H)2	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	H(CCHN)	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	H(CCHS)	C(CC[6a]CO)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	H(CCHS)	108.0930	0.334	4	108.0930	0.111	4	108.0930	0.111	4	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	H(CC[5]CH)	108.1830	0.023	2	108.1830	0.001	2	108.1830	0.001	2	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	H(CC[5]CH)	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	H(CC[5]CH)	108.8893	0.083	3	108.8893	0.007	3	108.8893	0.007	3	108.1798	1.869	131	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:O-3:	C-4:	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)2(OCo2)	H(CCCH)	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)2(OCo2)	H(CCCH)	107.7815	0.011	2	107.7815	0.000	2	107.9230	0.029	4	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:O-3:	C-4:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6]C[6]N[6])(CCHH)2(OCo2)	H(CCCH)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6]C[6]N[6])(CCHH)2(OCo2)	H(CCCH)	108.0645	0.074	2	108.0645	0.006	2	107.9230	0.029	4	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	H(CCCH)	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	H(CCCH)	108.3595	0.069	2	108.3595	0.005	2	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(CCO)	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(CCO)	H(CCCH)	108.1650	0.008	2	108.1650	0.000	2	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	H(CCCH)	108.5270	0.000	1	108.5270	0.000	1	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	H(CCCH)	108.1550	0.008	2	108.1550	0.000	2	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	H(CCCH)	C(CC[6a]CC)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	H(CCCH)	107.9793	0.037	4	107.9793	0.001	4	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CFFH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	H(CCCH)	C(CC[6a]CC)(CFFH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	H(CCCH)	108.2030	0.025	2	108.2030	0.001	2	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	H(CCCH)	108.4202	0.098	4	108.4202	0.010	4	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	H(CCCH)	108.6905	0.042	2	108.6905	0.002	2	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	H(CCCH)	C(CC[6a]CC)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	H(CCCH)	108.0330	0.119	4	108.0330	0.014	4	108.2349	0.055	23	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	H(CCCH)	C(CC[6a]CN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	H(CCCH)	108.6240	0.023	2	108.6240	0.001	2	109.5598	1.874	4	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	H(CCCH)	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	H(CCCH)	110.4955	1.456	2	110.4955	2.120	2	109.5598	1.874	4	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	H(CCCH)	C(CCCN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	H(CCCH)	108.5350	0.031	2	108.5350	0.001	2	108.3997	0.055	3	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:	C(CCCN)2(H)2	C(NC[6a]H)(CCHH)(CH3)(CNO)	H(CCCH)	C(CCCN)2(H)2	C(NC[6a]H)(CCHH)(CH3)(CNO)	H(CCCH)	108.1290	0.000	1	108.1290	0.000	1	108.3997	0.055	3	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(SCOO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	H(CCHS)	C(CC[6a]CC)(SCOO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	H(CCHS)	108.0107	0.580	3	108.0107	0.337	3	109.4710	5.061	5	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	H(CCHS)	C(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	H(CCHS)	111.6615	1.892	2	111.6615	3.578	2	109.4710	5.061	5	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CCHH)(COO)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CCHH)(COO)	H(CC[6]CH)	108.2420	0.000	1	108.2420	0.000	1	107.8907	0.093	3	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:3:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(COO)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(COO)	H(CC[6]CH)	107.7150	0.027	2	107.7150	0.001	2	107.8907	0.093	3	108.4657	0.993	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CC[6a]O)(CCHH)3	H(CCCH)	C(CC3)(CH3)(H)2	C(CC[6a]O)(CCHH)3	H(CCCH)	108.3722	0.146	6	108.3722	0.021	6	108.5896	0.083	17	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]O)(CCHH)3	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]O)(CCHH)3	H(CCCH)	108.7083	0.280	11	108.7083	0.079	11	108.5896	0.083	17	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[3a]-3:C-4:C-4:C-4:	C-4:	C(CC[3a]CC)(CCHH)(H)2	C(C[3a]C[3a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[3a]CC)(CCHH)(H)2	C(C[3a]C[3a]2)(CCHH)(CH3)2	H(CCCH)	107.5301	2.106	32	107.5301	4.434	32	107.5301	4.434	32	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	H(CCCH)	108.3547	0.023	3	108.3547	0.001	3	108.3547	0.001	3	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CC3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	H(CCCH)	C(CC[5a]CC)(CC3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	H(CCCH)	106.3888	0.101	5	106.3888	0.010	5	106.8626	0.661	7	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	H(CCCH)	C(CC[5a]CC)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	H(CCCH)	108.0470	0.014	2	108.0470	0.000	2	106.8626	0.661	7	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CC3)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6]CC)(CC3)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCCH)	106.0215	0.209	6	106.0215	0.044	6	106.2541	0.217	8	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(CC[6]CC)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]HH)(CC[6]CC)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	H(CCCH)	106.9520	0.033	2	106.9520	0.001	2	106.2541	0.217	8	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]CC)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	106.3822	0.290	61	106.3822	0.084	61	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	107.7380	0.098	3	107.7380	0.010	3	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	H(CCCH)	108.2815	0.025	2	108.2815	0.001	2	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	H(CCCH)	108.0242	0.337	6	108.0242	0.114	6	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	108.3387	0.516	11	108.3387	0.266	11	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	H(CCCH)	108.1910	0.069	3	108.1910	0.005	3	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]CC)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	107.6620	0.023	2	107.6620	0.001	2	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	108.0388	0.122	21	108.0388	0.015	21	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	H(CCCH)	108.1732	0.081	4	108.1732	0.007	4	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	108.5006	0.484	31	108.5006	0.234	31	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	H(CCCH)	108.3183	0.129	4	108.3183	0.017	4	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	H(CCCH)	108.6055	0.009	2	108.6055	0.000	2	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	H(CCCH)	108.6445	0.045	2	108.6445	0.002	2	107.5109	0.999	152	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C-4:	C(CC[6a]C[6]C)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	H(CCCH)	C(CC[6a]C[6]C)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	H(CCCH)	108.6410	0.045	2	108.6410	0.002	2	108.6410	0.002	2	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N[5]-4:C-4:B-4:	C-4:	C(CC[6a]N[5]B)(CH3)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	H(CCCH)	C(CC[6a]N[5]B)(CH3)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	H(CCCH)	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(CC3)(H)2	C(NC[5]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CC3)(H)2	C(NC[5]H)(CCHH)(CH3)2	H(CCCH)	105.2985	0.112	2	105.2985	0.013	2	106.8596	0.839	29	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(CC3)(H)2	C(NC[5a]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CC3)(H)2	C(NC[5a]H)(CCHH)(CH3)2	H(CCCH)	106.3200	0.044	4	106.3200	0.002	4	106.8596	0.839	29	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(CC3)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CC3)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	106.2314	0.172	11	106.2314	0.030	11	106.8596	0.839	29	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHH)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	107.6255	0.033	2	107.6255	0.001	2	106.8596	0.839	29	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	107.8882	0.170	8	107.8882	0.029	8	106.8596	0.839	29	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CCCN)2(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	C(CCCN)2(H)2	C(NC[6a]H)(CCHH)(CH3)2	H(CCCH)	108.0740	0.041	2	108.0740	0.002	2	106.8596	0.839	29	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(CC3)(H)2	C(N[3]Si[3]C[3])(CCHH)(CH3)2	H(CCCH)	C(CN[3]CC)(CC3)(H)2	C(N[3]Si[3]C[3])(CCHH)(CH3)2	H(CCCH)	106.3205	0.016	2	106.3205	0.000	2	106.3205	0.000	2	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(CC3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)2	H(CCCH)	C(CN[5]CC)(CC3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)2	H(CCCH)	106.2870	0.000	1	106.2870	0.000	1	106.2870	0.000	1	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	H(CCCH)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	H(CCCH)	108.2390	0.023	2	108.2390	0.001	2	107.0993	1.827	10	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	H(CCCH)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	H(CCCH)	108.2945	0.021	2	108.2945	0.000	2	107.0993	1.827	10	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(CC3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	H(CCCH)	C(CN[5a]CC)(CC3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	H(CCCH)	106.3210	1.213	6	106.3210	1.471	6	107.0993	1.827	10	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:C-4:	C-4:	C(CN[6a]CC)(CC3)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	C(CN[6a]CC)(CC3)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)2	H(CCCH)	106.3298	0.024	4	106.3298	0.001	4	106.3298	0.001	4	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:	C(CCCP)(CCHH)(H)2	C(PC[6a]C)(CCHH)(CH3)2	H(CCCH)	C(CCCP)(CCHH)(H)2	C(PC[6a]C)(CCHH)(CH3)2	H(CCCH)	107.1990	0.256	4	107.1990	0.066	4	107.1990	0.066	4	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	Si[4a]-3:C-4:Si-4:Si-4:	C-4:	C(CSi[4a]Si2)(CC3)(H)2	C(Si[4a]C[4a,6a]Si[4a])(CCHH)(SiC3)2	H(CCCH)	C(CSi[4a]Si2)(CC3)(H)2	C(Si[4a]C[4a,6a]Si[4a])(CCHH)(SiC3)2	H(CCCH)	106.3037	0.159	6	106.3037	0.025	6	106.3037	0.025	6	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(NCuCH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	C(CC[6]CC)(NCuCH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	108.7903	0.070	6	108.7903	0.005	6	108.6228	0.091	26	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(NFeCC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	C(CC[6]CC)(NFeCC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	108.3715	0.346	8	108.3715	0.120	8	108.6228	0.091	26	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(NFeCH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	C(CC[6]CC)(NFeCH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	108.4168	0.144	4	108.4168	0.021	4	108.6228	0.091	26	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(NFeHH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	C(CC[6]CC)(NFeHH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	H(CCHN)	108.8516	0.112	8	108.8516	0.012	8	108.6228	0.091	26	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	H(CCHN)	C(CC[6a]CC)(NCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	H(CCHN)	107.4320	0.408	4	107.4320	0.167	4	107.5499	0.306	7	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCuCC)(H)2	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	H(CCHN)	C(CC[6a]CC)(NCuCC)(H)2	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	H(CCHN)	107.2605	0.098	2	107.2605	0.010	2	107.5499	0.306	7	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:N-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(NCuCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	C(CC[6a]CC)(NCuCH)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	H(CCHN)	108.6000	0.000	1	108.6000	0.000	1	107.5499	0.306	7	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(SPdOO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)2	H(CCHS)	C(CC[6a]CC)(SPdOO)(H)2	C(C[6a]C[6a]2)(CHHS)(CH3)2	H(CCHS)	107.5530	0.478	2	107.5530	0.228	2	107.5530	0.228	2	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	H(CC[5]CH)	108.3135	0.011	2	108.3135	0.000	2	108.3135	0.000	2	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2C)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	H(CC[6]CH)	107.0945	0.005	2	107.0945	0.000	2	107.0945	0.000	2	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	N-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:	C(NC[3x6]CoH)(CC[5a]CC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	H(CCHN)	C(NC[3x6]CoH)(CC[5a]CC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	H(CCHN)	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	N-4:C-4:H-1:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(NNiCC)(CCCS)(H)2	C(SFeNi)(CHHN)(CH3)2	H(CCHN)	C(NNiCC)(CCCS)(H)2	C(SFeNi)(CHHN)(CH3)2	H(CCHN)	108.5326	0.837	5	108.5326	0.701	5	108.5326	0.701	5	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	3:4:4:4:	4:	P-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ru)(CC[6]CC)(H)2	C(C[6]C[6]N[6])(CHHP)2(CH3)	H(CCHP)	C(PC[6a]2Ru)(CC[6]CC)(H)2	C(C[6]C[6]N[6])(CHHP)2(CH3)	H(CCHP)	108.2425	0.276	4	108.2425	0.076	4	108.2425	0.076	4	107.5380	1.408	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(AsC3)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	C(AsC3)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	108.8020	0.262	3	108.8020	0.069	3	108.8547	0.074	64	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(AsClCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	C(AsClCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	109.3612	0.062	6	109.3612	0.004	6	108.8547	0.074	64	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(AsGeCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	C(AsGeCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	108.8510	0.237	5	108.8510	0.056	5	108.8547	0.074	64	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(AsPtCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	C(AsPtCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	108.7527	0.278	24	108.7527	0.077	24	108.8547	0.074	64	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(AsSnCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	C(AsSnCC)(CH3)(H)2	C(CAsHH)(H)3	H(CAsCH)	108.8387	0.169	26	108.8387	0.029	26	108.8547	0.074	64	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BCCH)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BCCH)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	107.2912	2.284	16	107.2912	5.216	16	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BCCN)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BCCN)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.1744	0.625	34	108.1744	0.391	34	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BCCO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BCCO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.4341	0.305	14	108.4341	0.093	14	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BCOO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BCOO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.6962	0.070	4	108.6962	0.005	4	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[5]CC)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BC[5]CC)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	107.1376	1.933	35	107.1376	3.736	35	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[5]CO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BC[5]CO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.8812	0.130	4	108.8812	0.017	4	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6]N[6]C)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BC[6]N[6]C)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.7482	0.210	18	108.7482	0.044	18	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6a]2C)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BC[6a]2C)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.6785	0.137	4	108.6785	0.019	4	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6a]3)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BC[6a]3)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.4500	0.013	4	108.4500	0.000	4	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BN[5]2C)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BN[5]2C)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.4545	0.080	4	108.4545	0.006	4	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BN[5]CC)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BN[5]CC)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.6492	0.387	5	108.6492	0.150	5	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BN[6]CC)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BN[6]CC)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.4599	0.179	8	108.4599	0.032	8	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BN[6]CO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BN[6]CO)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	108.3792	0.111	5	108.3792	0.012	5	108.0349	1.830	155	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	C(CB[5]HH)(H)3	H(CB[5]CH)	C(B[5]C[5,6a]N[5,6]C)(CH3)(H)2	C(CB[5]HH)(H)3	H(CB[5]CH)	108.3477	0.140	7	108.3477	0.020	7	108.3477	0.020	7	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[5a]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	C(CB[5a]HH)(H)3	H(CB[5a]CH)	C(B[5a]C[5a,5a]N[5a,5a]C)(CH3)(H)2	C(CB[5a]HH)(H)3	H(CB[5a]CH)	108.2300	0.147	3	108.2300	0.021	3	108.2666	0.051	18	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[5a]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	C(CB[5a]HH)(H)3	H(CB[5a]CH)	C(B[5a]N[5a,6a]C[5,5a]C)(CH3)(H)2	C(CB[5a]HH)(H)3	H(CB[5a]CH)	108.3380	0.061	7	108.3380	0.004	7	108.2666	0.051	18	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[5a]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	C(CB[5a]HH)(H)3	H(CB[5a]CH)	C(B[5a]N[5a,6a]N[5a]C)(CH3)(H)2	C(CB[5a]HH)(H)3	H(CB[5a]CH)	108.2179	0.325	8	108.2179	0.106	8	108.2666	0.051	18	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	C(B[6]C[5,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	108.6486	0.404	14	108.6486	0.163	14	108.4889	0.182	57	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6]N[5,6]2C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	C(B[6]N[5,6]2C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	108.2438	0.215	8	108.2438	0.046	8	108.4889	0.182	57	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	C(B[6]N[5a,6]C[5,6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	108.3550	0.038	4	108.3550	0.001	4	108.4889	0.182	57	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6]N[6,6]N[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	C(B[6]N[6,6]N[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	108.3967	0.168	4	108.3967	0.028	4	108.4889	0.182	57	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	C(B[6]N[6,6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	108.5135	0.531	23	108.5135	0.282	23	108.4889	0.182	57	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6]N[6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	C(B[6]N[6]O[6]C)(CH3)(H)2	C(CB[6]HH)(H)3	H(CB[6]CH)	108.5055	0.409	4	108.5055	0.167	4	108.4889	0.182	57	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6a]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C(CB[6a]HH)(H)3	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6,6a]C)(CH3)(H)2	C(CB[6a]HH)(H)3	H(CB[6a]CH)	108.3442	0.144	14	108.3442	0.021	14	108.3361	0.044	30	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	B[6a]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C(CB[6a]HH)(H)3	H(CB[6a]CH)	C(B[6a]C[6a,6a]N[6a,6a]C)(CH3)(H)2	C(CB[6a]HH)(H)3	H(CB[6a]CH)	108.3289	0.259	16	108.3289	0.067	16	108.3361	0.044	30	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(Br)(H)	C(CBrCH)(Br)(H)2	H(CBrCC)	C(CBrHH)(CCHH)(Br)(H)	C(CBrCH)(Br)(H)2	H(CBrCC)	105.5830	2.242	2	105.5830	5.024	2	106.6495	4.791	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CHHN)(Br)(H)	C(CBrCH)(Br)(H)2	H(CBrCC)	C(CBrHH)(CHHN)(Br)(H)	C(CBrCH)(Br)(H)2	H(CBrCC)	109.2650	0.000	1	109.2650	0.000	1	106.6495	4.791	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CC[5]CH)(CBrHH)(Br)(H)	C(CBrCH)(Br)(H)2	H(CBrCC)	C(CC[5]CH)(CBrHH)(Br)(H)	C(CBrCH)(Br)(H)2	H(CBrCC)	106.1670	0.000	1	106.1670	0.000	1	106.6495	4.791	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClCC)(CClHH)(Br)(H)	C(CBrCH)(Cl)(H)2	H(CBrCC)	C(CClCC)(CClHH)(Br)(H)	C(CBrCH)(Cl)(H)2	H(CBrCC)	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrCC)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CBrCC)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	107.9650	0.000	1	107.9650	0.000	1	108.2227	0.797	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	107.1940	0.076	2	107.1940	0.006	2	108.2227	0.797	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CC[6a]HN)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	109.0150	0.083	2	109.0150	0.007	2	108.2227	0.797	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HN)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	C(CN[5]HN)(CH3)(Br)(H)	C(CBrCH)(H)3	H(CBrCC)	108.9530	0.000	1	108.9530	0.000	1	108.2227	0.797	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	106.7160	1.195	3	106.7160	1.429	3	105.3925	8.811	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHO)(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	C(CClHH)(CHHO)(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	107.8700	0.000	1	107.8700	0.000	1	105.3925	8.811	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)2(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	C(CClHH)2(Cl)(H)	C(CClCH)(Cl)(H)2	H(CClCC)	102.1685	3.003	2	102.1685	9.019	2	105.3925	8.811	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CCCO)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	108.7040	0.000	1	108.7040	0.000	1	107.7597	16.202	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	105.4380	6.896	5	105.4380	47.560	5	107.7597	16.202	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CCHO)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	108.1950	0.000	1	108.1950	0.000	1	107.7597	16.202	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CC[3]HH)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	110.6580	0.000	1	110.6580	0.000	1	107.7597	16.202	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	108.6316	1.261	7	108.6316	1.589	7	107.7597	16.202	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	C(CHHN)(CH3)(Cl)(H)	C(CClCH)(H)3	H(CClCC)	108.9870	0.000	1	108.9870	0.000	1	107.7597	16.202	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CNiFF)(CF3)(F)(H)	C(CCFH)(F)3	H(CCCF)	C(CNiFF)(CF3)(F)(H)	C(CCFH)(F)3	H(CCCF)	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CCHH)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	109.8757	0.430	4	109.8757	0.185	4	109.6516	0.524	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CCHN)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	108.8330	0.047	2	108.8330	0.002	2	109.6516	0.524	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CCHO)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	110.9250	0.000	1	110.9250	0.000	1	109.6516	0.524	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CC[6a]HN)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	110.0635	0.401	2	110.0635	0.161	2	109.6516	0.524	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CC[6a]HO)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	109.1970	0.000	1	109.1970	0.000	1	109.6516	0.524	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(CCFH)(H)3	H(CCCF)	108.7500	0.000	1	108.7500	0.000	1	109.6516	0.524	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	109.1109	0.595	115	109.1109	0.354	115	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CFeHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CBrHH)(CFeHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	109.6865	0.019	2	109.6865	0.000	2	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CHHN)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CBrHH)(CHHN)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	109.3819	0.447	10	109.3819	0.200	10	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CHHO)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CBrHH)(CHHO)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	108.8561	0.411	14	108.8561	0.169	14	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CC[5a]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	109.5637	0.956	4	109.5637	0.913	4	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CC[6a]2C)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CC[6a]2C)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	109.0310	0.031	2	109.0310	0.001	2	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CC[6a]CH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	108.4030	0.119	2	108.4030	0.014	2	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CN[5]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CN[5]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	108.8690	0.273	9	108.8690	0.075	9	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CN[5a]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	108.8305	0.240	4	108.8305	0.058	4	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CN[6]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CN[6]HH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	109.1480	0.011	2	109.1480	0.000	2	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CN[6a]CH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	C(CN[6a]CH)(CBrHH)(H)2	C(CCHH)(Br)(H)2	H(CCCH)	108.5577	0.177	3	108.5577	0.031	3	109.0848	0.324	167	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-1:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(C)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(C)(H)2	H(CCCH)	109.4020	1.144	2	109.4020	1.309	2	108.0836	1.081	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-1:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(C)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(C)(H)2	H(CCCH)	107.6442	0.569	6	107.6442	0.324	6	108.0836	1.081	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCCH)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	C(CCCH)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	108.1005	0.006	2	108.1005	0.000	2	108.3505	0.756	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCHH)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	C(CCHH)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	108.8580	0.120	5	108.8580	0.014	5	108.3505	0.756	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CC[5]HH)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	C(CC[5]HH)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	108.9640	0.059	2	108.9640	0.004	2	108.3505	0.756	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CC[6]ClC)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	C(CC[6]ClC)(CCl3)(H)2	C(CCHH)(Cl)3	H(CCCH)	106.7180	0.025	2	106.7180	0.001	2	108.3505	0.756	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(CC[6a]2N)(CCl2H)(H)2	C(CCHH)(Cl)2(H)	H(CCCH)	C(CC[6a]2N)(CCl2H)(H)2	C(CCHH)(Cl)2(H)	H(CCCH)	108.6590	0.027	2	108.6590	0.001	2	108.6735	0.001	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(CC[6a]HS)(CCl2H)(H)2	C(CCHH)(Cl)2(H)	H(CCCH)	C(CC[6a]HS)(CCl2H)(H)2	C(CCHH)(Cl)2(H)	H(CCCH)	108.6880	0.030	2	108.6880	0.001	2	108.6735	0.001	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[3x6]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[3x6]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.4050	0.004	2	109.4050	0.000	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[5a]2H)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[5a]2H)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.9645	0.019	2	108.9645	0.000	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[5a]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.0135	0.073	2	109.0135	0.005	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6]BrH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[6]BrH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.4660	0.000	1	108.4660	0.000	1	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[6]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.6982	0.204	5	108.6982	0.041	5	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6a]2O)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[6a]2O)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.2105	0.018	2	109.2105	0.000	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[6a]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	107.8270	1.072	4	107.8270	1.149	4	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CC[6a]HN)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.5490	0.071	2	109.5490	0.005	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CC3)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CC3)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.5420	0.055	2	108.5420	0.003	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.8777	0.986	78	108.8777	0.973	78	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCHN)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CCHN)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.4350	0.040	2	108.4350	0.002	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHN)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CHHN)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.5273	0.555	12	108.5273	0.308	12	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHO)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CHHO)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.7507	0.313	16	108.7507	0.098	16	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHP)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CHHP)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.1260	0.016	2	109.1260	0.000	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHS)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CHHS)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	107.3050	0.838	4	107.3050	0.702	4	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CRhHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CClHH)(CRhHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.7165	0.078	2	109.7165	0.006	2	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CN[5]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CN[5]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.8702	0.037	4	108.8702	0.001	4	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CN[5a]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	108.9267	0.303	3	108.9267	0.092	3	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CN[6]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	C(CN[6]HH)(CClHH)(H)2	C(CCHH)(Cl)(H)2	H(CCCH)	109.8185	0.429	4	109.8185	0.184	4	108.8103	0.739	149	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCCH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CCCH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.3720	0.004	2	108.3720	0.000	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCCS)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CCCS)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	107.8325	0.033	2	107.8325	0.001	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CCHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.9068	0.250	17	108.9068	0.063	17	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CCHN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.4710	0.000	1	108.4710	0.000	1	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHS)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CCHS)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.1540	0.008	2	108.1540	0.000	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[3,5]CC)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[3,5]CC)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.0255	0.046	2	108.0255	0.002	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[3]CC)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[3]CC)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	107.5910	0.045	4	107.5910	0.002	4	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[5,6]CN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[5,6]CN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.0670	0.027	2	108.0670	0.001	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[5]CN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[5]CN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	107.9890	0.017	2	107.9890	0.000	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[5]HH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[5]HH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	109.1250	0.148	6	109.1250	0.022	6	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[5a]C[6a]H)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[5a]C[6a]H)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.3275	0.078	2	108.3275	0.006	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6,6]ClH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6,6]ClH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.8650	0.055	2	108.8650	0.003	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6]CN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6]CN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	107.9200	0.007	2	107.9200	0.000	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]2C)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6a]2C)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	107.8042	0.047	4	107.8042	0.002	4	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CC)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6a]CC)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	107.9905	0.015	2	107.9905	0.000	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6a]CH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.6953	0.096	7	108.6953	0.009	7	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]C[6]H)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6a]C[6]H)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.6355	0.008	2	108.6355	0.000	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]HN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CC[6a]HN)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.6940	0.031	2	108.6940	0.001	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CGeHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CGeHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	109.0515	0.006	2	109.0515	0.000	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CHHS)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CHHS)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	109.5943	0.511	4	109.5943	0.261	4	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CSeCH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CSeCH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.7937	0.269	3	108.7937	0.073	3	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CSiHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CSiHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.8248	0.209	13	108.8248	0.044	13	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CSnHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	C(CSnHH)(CF3)(H)2	C(CCHH)(F)3	H(CCCH)	108.6685	0.025	2	108.6685	0.001	2	108.6178	0.271	87	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CCHH)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	C(CCHH)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	109.3595	0.057	2	109.3595	0.003	2	108.9219	0.207	9	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CCHS)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	C(CCHS)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	108.5110	0.000	1	108.5110	0.000	1	108.9219	0.207	9	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CC[6a]CC)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	C(CC[6a]CC)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	108.2585	0.040	2	108.2585	0.002	2	108.9219	0.207	9	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CC[6a]HN)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	C(CC[6a]HN)(CFFH)(H)2	C(CCHH)(F)2(H)	H(CCCH)	109.1375	0.099	4	109.1375	0.010	4	108.9219	0.207	9	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CCFH)(CFHH)(H)2	C(CCHH)(F)(H)2	H(CCCH)	C(CCFH)(CFHH)(H)2	C(CCHH)(F)(H)2	H(CCCH)	109.1172	0.050	4	109.1172	0.003	4	109.6401	32.702	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CCHH)(CFHH)(H)2	C(CCHH)(F)(H)2	H(CCCH)	C(CCHH)(CFHH)(H)2	C(CCHH)(F)(H)2	H(CCCH)	109.6330	3.714	2	109.6330	13.792	2	109.6401	32.702	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(CHHP)(H)2	C(CCHH)(F)(H)2	H(CCCH)	C(CFHH)(CHHP)(H)2	C(CCHH)(F)(H)2	H(CCCH)	110.1665	9.632	4	110.1665	92.774	4	109.6401	32.702	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAl2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CAl2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9470	0.021	2	108.9470	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAlNN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CAlNN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.6750	0.006	2	109.6750	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAsHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CAsHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	107.6359	2.072	10	107.6359	4.294	10	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAuHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CAuHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3180	0.130	2	109.3180	0.017	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CBCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7732	0.116	6	108.7732	0.014	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CBHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9040	0.392	4	108.9040	0.154	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CBrCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9769	0.570	18	108.9769	0.325	18	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5455	0.930	99	108.5455	0.866	99	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7221	0.801	582	108.7221	0.642	582	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5687	0.734	59	108.5687	0.538	59	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCCO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5805	0.302	38	108.5805	0.091	38	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCCP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.1509	0.202	19	108.1509	0.041	19	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCW)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCCW)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1598	0.302	6	109.1598	0.091	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8614	1.392	20921	108.8614	1.937	20921	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7795	1.115	247	108.7795	1.244	247	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8938	1.679	140	108.8938	2.820	140	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCHP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1273	0.090	6	109.1273	0.008	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7219	1.035	48	108.7219	1.071	48	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCNP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCNP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8185	0.077	2	108.8185	0.006	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8096	0.089	18	108.8096	0.008	18	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCOW)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCOW)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.0620	0.109	2	108.0620	0.012	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3,3,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3,3,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.3265	0.047	2	108.3265	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3,5,6]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3,5,6]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2005	0.006	2	109.2005	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3,6]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3,6]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.2340	0.020	2	108.2340	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4826	0.258	5	108.4826	0.066	5	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]C[6]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3]C[6]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0220	0.045	2	109.0220	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]ClH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3]ClH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2748	0.313	6	109.2748	0.098	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0719	0.349	21	109.0719	0.122	21	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1000	1.029	9	109.1000	1.060	9	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3x6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[3x6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1211	0.767	14	109.1211	0.588	14	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4,3x5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[4,3x5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0830	0.016	2	109.0830	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4,5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[4,5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7197	0.237	7	108.7197	0.056	7	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[4]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5637	0.014	4	108.5637	0.000	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1287	0.437	26	109.1287	0.191	26	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[4]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0980	0.004	2	109.0980	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5,5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9310	0.049	2	108.9310	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,5]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5,5]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1595	0.039	2	109.1595	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5,5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1436	0.230	47	109.1436	0.053	47	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5,6,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.7053	5.482	6	109.7053	30.050	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3014	0.167	13	109.3014	0.028	13	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4520	0.171	29	108.4520	0.029	29	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]BrH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]BrH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7234	0.232	8	108.7234	0.054	8	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4393	0.142	4	108.4393	0.020	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8427	0.584	58	108.8427	0.341	58	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]CO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.1285	0.782	11	108.1285	0.611	11	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]ClH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]ClH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6105	0.108	4	108.6105	0.012	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]FeH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]FeH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7160	0.000	1	108.7160	0.000	1	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1468	1.135	301	109.1468	1.287	301	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8257	0.326	14	108.8257	0.107	14	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9536	0.251	17	108.9536	0.063	17	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]HP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.0600	0.051	2	108.0600	0.003	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5]HS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8730	0.041	2	108.8730	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4915	0.407	162	108.4915	0.166	162	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]2H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]2H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9630	0.023	2	108.9630	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]3)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]3)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6245	0.018	2	108.6245	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0070	0.304	13	109.0070	0.092	13	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]C[6a]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]C[6a]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6925	0.122	4	108.6925	0.015	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0572	0.394	117	109.0572	0.155	117	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7845	0.013	2	108.7845	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[5a]HS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3355	0.067	4	109.3355	0.004	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	106.9497	3.322	4	106.9497	11.036	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]2O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]2O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.1130	0.035	2	108.1130	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]BrH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]BrH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8695	0.006	2	108.8695	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.6000	0.000	1	109.6000	0.000	1	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8738	0.338	71	108.8738	0.114	71	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1430	0.950	253	109.1430	0.903	253	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0632	0.209	5	109.0632	0.044	5	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2048	0.162	4	109.2048	0.026	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4637	0.258	6	108.4637	0.067	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]2H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0051	0.373	230	109.0051	0.139	230	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]2O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	110.6625	1.710	2	110.6625	2.926	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4865	0.441	59	108.4865	0.195	59	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CF)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]CF)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	110.2045	1.480	2	110.2045	2.190	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8612	0.750	272	108.8612	0.562	272	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]CN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.3465	0.939	6	108.3465	0.881	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]CO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4467	1.669	15	109.4467	2.785	15	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[4]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C[4]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1115	0.025	2	109.1115	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[5]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C[5]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7835	0.008	2	108.7835	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[5]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C[5]O)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6915	0.062	2	108.6915	0.004	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[6]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C[6]C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6740	0.000	1	108.6740	0.000	1	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]C[6]H)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0108	0.501	19	109.0108	0.251	19	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0861	1.041	237	109.0861	1.083	237	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]HN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9723	0.337	35	108.9723	0.113	35	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5190	0.558	8	108.5190	0.311	8	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]HS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0132	0.320	10	109.0132	0.102	10	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N[5]B)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]N[5]B)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9625	0.009	2	108.9625	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]OO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]OO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1100	0.017	3	109.1100	0.000	3	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]PdC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]PdC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4378	0.083	5	108.4378	0.007	5	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]RhH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CC[6a]RhH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9405	0.030	2	108.9405	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CClCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	107.9962	1.514	14	107.9962	2.293	14	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCu2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCu2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3151	0.240	22	109.3151	0.057	22	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCuCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCuCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0318	0.128	8	109.0318	0.016	8	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCuOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CCuOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6305	0.026	2	108.6305	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFe2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CFe2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0285	0.011	2	109.0285	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFeCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CFeCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.5475	0.033	2	109.5475	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFeOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CFeOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7100	0.089	2	108.7100	0.008	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CGaHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CGaHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9680	0.018	2	108.9680	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(H)2	C(CCHH)(H)3	H(CCCH)	C(CH3)2(H)2	C(CCHH)(H)3	H(CCCH)	109.3245	0.424	22	109.3245	0.180	22	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2541	1.339	1450	109.2541	1.793	1450	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1569	1.232	683	109.1569	1.518	683	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CHHP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9155	1.044	183	108.9155	1.089	183	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1783	0.553	174	109.1783	0.306	174	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHW)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CHHW)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	100.1764	3.635	2	100.1764	13.216	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHNP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CHNP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6862	0.387	6	108.6862	0.149	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CIrHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CIrHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6670	0.017	2	108.6670	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CIrOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CIrOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9485	0.013	2	108.9485	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CLiSiH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CLiSiH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.1850	0.023	2	108.1850	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMnHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CMnHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0630	0.006	2	109.0630	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMoCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CMoCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2585	0.115	4	109.2585	0.013	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMoCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CMoCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2815	0.029	2	109.2815	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNNY)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CNNY)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8125	1.801	2	108.8125	3.244	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNPP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CNPP)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.2634	0.254	8	108.2634	0.065	8	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[3x6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[3x6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4120	0.065	2	109.4120	0.004	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[4]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[4]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1462	0.418	10	109.1462	0.175	10	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1397	0.477	66	109.1397	0.227	66	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2627	1.043	348	109.2627	1.087	348	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5]HO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9793	0.436	4	108.9793	0.190	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4835	0.698	11	108.4835	0.487	11	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[5a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3864	0.863	78	109.3864	0.745	78	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[6,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1405	0.009	2	109.1405	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[6]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5801	0.321	22	108.5801	0.103	22	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3261	0.609	195	109.3261	0.370	195	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[6a]CH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8042	0.180	32	108.8042	0.033	32	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CN[6a]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4715	0.651	54	109.4715	0.424	54	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNiCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CNiCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1420	0.010	2	109.1420	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNiHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CNiHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9090	0.000	1	108.9090	0.000	1	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNpOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CNpOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4510	0.566	8	108.4510	0.320	8	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(COOU)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(COOU)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5363	0.568	6	108.5363	0.323	6	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CP[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CP[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9215	0.006	2	108.9215	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CP[6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CP[6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1595	0.040	2	109.1595	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CPdCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CPdCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2666	0.745	13	109.2666	0.555	13	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CPdCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CPdCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2215	0.423	4	109.2215	0.179	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CPtCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CPtCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4440	0.028	2	108.4440	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CPuOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CPuOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.4414	0.552	8	108.4414	0.304	8	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRhBC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRhBC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2657	0.269	3	109.2657	0.072	3	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRhCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRhCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7403	0.012	3	108.7403	0.000	3	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRhHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRhHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2920	0.057	2	109.2920	0.003	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRu2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRu2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.4510	0.064	4	109.4510	0.004	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRuCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRuCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8555	0.631	4	108.8555	0.398	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRuCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRuCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.2572	0.626	12	109.2572	0.392	12	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRuOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CRuOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3340	0.047	2	109.3340	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSeHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSeHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.1385	0.009	2	108.1385	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSiHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSiHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.8624	0.220	29	108.8624	0.048	29	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSi[5,5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSi[5,5,6]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0077	0.120	3	109.0077	0.014	3	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSi[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSi[5]HH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0395	0.029	2	109.0395	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSmOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSmOO)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1110	0.471	3	109.1110	0.222	3	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSnCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CSnCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.6660	0.583	4	108.6660	0.340	4	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTa2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CTa2C)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1570	0.424	7	109.1570	0.180	7	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTaCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CTaCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.3835	0.009	2	109.3835	0.000	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTaHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CTaHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.0635	0.056	2	109.0635	0.003	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZnCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CZnCH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9253	0.364	18	108.9253	0.132	18	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZnHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CZnHH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	109.1265	0.029	2	109.1265	0.001	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZrCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CZrCC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.5690	0.040	2	108.5690	0.002	2	108.9036	1.734	28000	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CCHH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CCHH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	109.1147	0.454	18	109.1147	0.206	18	109.1391	0.497	39	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CC[6]CH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CC[6]CH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	107.6085	2.562	2	107.6085	6.563	2	109.1391	0.497	39	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CHHI)(CHHN)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CHHI)(CHHN)(H)2	C(CCHH)(H)2(I)	H(CCCH)	109.4035	0.274	6	109.4035	0.075	6	109.1391	0.497	39	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CHHI)(CHHW)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CHHI)(CHHW)(H)2	C(CCHH)(H)2(I)	H(CCCH)	109.7600	0.068	2	109.7600	0.005	2	109.1391	0.497	39	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CN[5]HH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CN[5]HH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	109.2555	0.170	2	109.2555	0.029	2	109.1391	0.497	39	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CN[6]HH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CN[6]HH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	108.9205	0.011	2	108.9205	0.000	2	109.1391	0.497	39	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CSiHH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	C(CSiHH)(CHHI)(H)2	C(CCHH)(H)2(I)	H(CCCH)	109.2643	0.619	7	109.2643	0.383	7	109.1391	0.497	39	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(H)2(O)	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(H)2(O)	H(CCCH)	110.7975	2.168	34	110.7975	4.701	34	110.7852	4.914	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(H)2(O)	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(H)2(O)	H(CCCH)	109.4870	0.393	2	109.4870	0.155	2	110.7852	4.914	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(H)2(O)	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(H)2(O)	H(CCCH)	109.7280	0.030	2	109.7280	0.001	2	110.7852	4.914	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(H)2(O)	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(H)2(O)	H(CCCH)	111.5003	3.076	6	111.5003	9.460	6	110.7852	4.914	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:S-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(H)2(S)	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(H)2(S)	H(CCCH)	110.9840	1.485	2	110.9840	2.205	2	110.9840	2.205	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(CCHI)(H)3	H(CCCI)	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(CCHI)(H)3	H(CCCI)	109.1940	0.000	1	109.1940	0.000	1	108.7880	0.330	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)(I)	C(CCHI)(H)3	H(CCCI)	C(CHHN)(CH3)(H)(I)	C(CCHI)(H)3	H(CCCI)	108.3820	0.000	1	108.3820	0.000	1	108.7880	0.330	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:N-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)(N)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(H)(N)	C(CCHN)(H)3	H(CCCN)	108.0790	0.000	1	108.0790	0.000	1	108.7630	0.832	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:N-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)(N)	C(CCHN)(H)3	H(CCCN)	C(CHHO)(CH3)(H)(N)	C(CCHN)(H)3	H(CCCN)	108.8607	0.939	7	108.8607	0.881	7	108.7630	0.832	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:O-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(H)(O)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(H)(O)	C(CCHO)(F)3	H(CCCO)	110.2796	1.699	8	110.2796	2.886	8	110.2796	2.886	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(H)(O)	C(CCHO)(H)3	H(CCCO)	C(CCHN)(CH3)(H)(O)	C(CCHO)(H)3	H(CCCO)	107.4900	0.000	1	107.4900	0.000	1	106.1327	36.732	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(H)(O)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(H)(O)	C(CCHO)(H)3	H(CCCO)	106.0422	6.262	15	106.0422	39.216	15	106.1327	36.732	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:S-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)(S)	C(CCHS)(H)3	H(CCCS)	C(CN[5a]HH)(CH3)(H)(S)	C(CCHS)(H)3	H(CCCS)	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(NBHO)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	C(CBrHH)(NBHO)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	108.3465	0.012	2	108.3465	0.000	2	108.9791	0.581	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(NC3)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	C(CBrHH)(NC3)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	108.3503	0.807	8	108.3503	0.651	8	108.9791	0.581	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(NCHH)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	C(CBrHH)(NCHH)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	109.2552	0.666	17	109.2552	0.443	17	108.9791	0.581	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(NH3)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	C(CBrHH)(NH3)(H)2	C(CHHN)(Br)(H)2	H(CCHN)	109.2992	0.387	5	109.2992	0.150	5	108.9791	0.581	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NBHO)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NBHO)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	108.5247	0.086	4	108.5247	0.007	4	108.7415	0.239	34	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NC3)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NC3)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	108.6149	0.516	17	108.6149	0.266	17	108.7415	0.239	34	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCCH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCCH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.3375	0.008	2	109.3375	0.000	2	108.7415	0.239	34	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCCN)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCCN)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	108.4000	0.000	1	108.4000	0.000	1	108.7415	0.239	34	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NCHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NCHH)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.6430	0.074	2	109.6430	0.005	2	108.7415	0.239	34	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NH3)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NH3)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	109.5100	0.000	1	109.5100	0.000	1	108.7415	0.239	34	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(NPtCC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	C(CClHH)(NPtCC)(H)2	C(CHHN)(Cl)(H)2	H(CCHN)	108.6839	0.111	7	108.6839	0.012	7	108.7415	0.239	34	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(NH3)(H)2	C(CHHN)(F)3	H(CCHN)	C(CF3)(NH3)(H)2	C(CHHN)(F)3	H(CCHN)	108.9940	0.030	2	108.9940	0.001	2	108.9940	0.001	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CFFH)(NH3)(H)2	C(CHHN)(F)2(H)	H(CCHN)	C(CFFH)(NH3)(H)2	C(CHHN)(F)2(H)	H(CCHN)	109.1585	0.245	4	109.1585	0.060	4	109.1585	0.060	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(NC3)(H)2	C(CHHN)(F)(H)2	H(CCHN)	C(CFHH)(NC3)(H)2	C(CHHN)(F)(H)2	H(CCHN)	108.3355	0.033	2	108.3355	0.001	2	108.7924	0.697	26	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(NCCH)(H)2	C(CHHN)(F)(H)2	H(CCHN)	C(CFHH)(NCCH)(H)2	C(CHHN)(F)(H)2	H(CCHN)	108.5525	0.698	4	108.5525	0.487	4	108.7924	0.697	26	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(NH3)(H)2	C(CHHN)(F)(H)2	H(CCHN)	C(CFHH)(NH3)(H)2	C(CHHN)(F)(H)2	H(CCHN)	108.8860	0.892	20	108.8860	0.797	20	108.7924	0.697	26	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NC3)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NC3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4837	0.909	6472	108.4837	0.826	6472	108.5053	0.879	6669	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(CH3)(NH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2149	1.461	197	109.2149	2.134	197	108.5053	0.879	6669	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(CHHI)(NH3)(H)2	C(CHHN)(H)2(I)	H(CCHN)	C(CHHI)(NH3)(H)2	C(CHHN)(H)2(I)	H(CCHN)	109.4013	0.128	4	109.4013	0.016	4	109.4013	0.016	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(H)2(N)	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(H)2(N)	H(CCHN)	108.9370	0.085	2	108.9370	0.007	2	108.9370	0.007	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(NCCH)(H)2	C(CHHN)(H)2(O)	H(CCHN)	C(CHHO)(NCCH)(H)2	C(CHHN)(H)2(O)	H(CCHN)	109.0677	0.110	4	109.0677	0.012	4	109.0677	0.012	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:S-1:	C-4:	C(CHHS)(NCCH)(H)2	C(CHHN)(H)2(S)	H(CCHN)	C(CHHS)(NCCH)(H)2	C(CHHN)(H)2(S)	H(CCHN)	109.6390	0.000	1	109.6390	0.000	1	109.7223	0.005	3	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:S-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(H)2(S)	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(H)2(S)	H(CCHN)	109.7640	0.008	2	109.7640	0.000	2	109.7223	0.005	3	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	H(CCHP)	C(CH3)(PC3)(H)2	C(CHHP)(H)3	H(CCHP)	108.5227	0.548	103	108.5227	0.300	103	108.5227	0.300	103	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(SO3)(H)2	C(CHHS)(H)3	H(CCHS)	C(CH3)(SO3)(H)2	C(CHHS)(H)3	H(CCHS)	109.0744	0.137	8	109.0744	0.019	8	109.0744	0.019	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,3,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	C(CC[3,3,6]HH)(H)3	H(CC[3,3,6]CH)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CH3)(H)2	C(CC[3,3,6]HH)(H)3	H(CC[3,3,6]CH)	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,3]Nb[6x3]C[3,3]2)(CH3)(H)2	C(CC[3,3]HH)(H)3	H(CC[3,3]CH)	C(C[3,3]Nb[6x3]C[3,3]2)(CH3)(H)2	C(CC[3,3]HH)(H)3	H(CC[3,3]CH)	109.1525	0.050	2	109.1525	0.003	2	109.1603	0.001	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	C(CC[3,3]HH)(H)3	H(CC[3,3]CH)	C(C[3,3]Nb[6x3]C[3,3]N[3])(CH3)(H)2	C(CC[3,3]HH)(H)3	H(CC[3,3]CH)	109.1680	0.006	2	109.1680	0.000	2	109.1603	0.001	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5,5]C[3,5]2C[5,5])(CH3)(H)2	C(CC[3,5,5]HH)(H)3	H(CC[3,5,5]CH)	C(C[3,5,5]C[3,5]2C[5,5])(CH3)(H)2	C(CC[3,5,5]HH)(H)3	H(CC[3,5,5]CH)	108.5590	0.027	2	108.5590	0.001	2	108.5590	0.001	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	C(CC[3,5,6]HH)(Br)(H)2	H(CC[3,5,6]CH)	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	C(CC[3,5,6]HH)(Br)(H)2	H(CC[3,5,6]CH)	109.1360	0.705	10	109.1360	0.497	10	109.1360	0.497	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	C(CC[3,5,6]HH)(H)3	H(CC[3,5,6]CH)	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	C(CC[3,5,6]HH)(H)3	H(CC[3,5,6]CH)	108.9385	0.040	2	108.9385	0.002	2	108.9385	0.002	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	C(CC[3,5]HH)(H)3	H(CC[3,5]CH)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	C(CC[3,5]HH)(H)3	H(CC[3,5]CH)	108.8650	0.310	2	108.8650	0.096	2	108.8650	0.096	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CCl3)(H)2	C(CC[3,6]HH)(Cl)3	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]C[6])(CCl3)(H)2	C(CC[3,6]HH)(Cl)3	H(CC[3,6]CH)	107.9705	0.015	2	107.9705	0.000	2	107.9705	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	C(CC[3,6]HH)(H)3	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	C(CC[3,6]HH)(H)3	H(CC[3,6]CH)	109.4145	0.571	2	109.4145	0.326	2	109.3667	0.112	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	C(CC[3,6]HH)(H)3	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	C(CC[3,6]HH)(H)3	H(CC[3,6]CH)	109.3190	0.016	2	109.3190	0.000	2	109.3667	0.112	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.3940	0.058	2	109.3940	0.003	2	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,6]2H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3,6]2H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.0280	0.007	2	109.0280	0.000	2	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3]2C)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	108.7551	0.758	16	108.7551	0.574	16	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3]2H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.4000	0.361	6	109.4000	0.130	6	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]C[6]O[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3]C[6]O[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	107.8280	0.000	1	107.8280	0.000	1	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]C)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3]N[3]C)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.2780	0.261	11	109.2780	0.068	11	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.6825	0.009	2	109.6825	0.000	2	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	109.5474	0.296	8	109.5474	0.087	8	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	108.2695	0.016	2	108.2695	0.000	2	109.1099	0.384	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[3x6]C[4x6]C[6])(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	107.9300	0.052	2	107.9300	0.003	2	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[3x6]C[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	108.5740	0.008	2	108.5740	0.000	2	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[3x6]O[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	108.8180	0.023	2	108.8180	0.001	2	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	107.3975	0.950	22	107.3975	0.903	22	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	108.4139	0.090	36	108.4139	0.008	36	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	108.6750	0.174	4	108.6750	0.030	4	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[6,6]O[6,6]2)(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	108.7030	0.044	8	108.7030	0.002	8	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	C(C[3x6]C[6,6]O[6,6]P[6,6])(CH3)(H)2	C(CC[3x6]HH)(H)3	H(CC[3x6]CH)	108.6848	0.057	4	108.6848	0.003	4	108.1919	0.509	80	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[5]O[4])(CH3)(H)2	C(CC[4,5]HH)(H)3	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[5]O[4])(CH3)(H)2	C(CC[4,5]HH)(H)3	H(CC[4,5]CH)	108.2415	1.465	4	108.2415	2.147	4	108.2415	2.147	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(CH3)(H)2	C(CC[4,6,6]HH)(H)3	H(CC[4,6,6]CH)	C(C[4,6,6]C[4,6]C[6,6]O[4,6])(CH3)(H)2	C(CC[4,6,6]HH)(H)3	H(CC[4,6,6]CH)	109.1625	0.021	2	109.1625	0.000	2	109.1625	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4,6]C[4,6]2N[6])(CH3)(H)2	C(CC[4,6]HH)(H)3	H(CC[4,6]CH)	C(C[4,6]C[4,6]2N[6])(CH3)(H)2	C(CC[4,6]HH)(H)3	H(CC[4,6]CH)	109.0938	0.150	13	109.0938	0.023	13	108.8999	0.148	17	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4,6]C[6,6a]C[4,6]C[4])(CH3)(H)2	C(CC[4,6]HH)(H)3	H(CC[4,6]CH)	C(C[4,6]C[6,6a]C[4,6]C[4])(CH3)(H)2	C(CC[4,6]HH)(H)3	H(CC[4,6]CH)	108.2698	0.095	4	108.2698	0.009	4	108.8999	0.148	17	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]B[4]C[4]Rh)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]B[4]C[4]Rh)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	109.1732	0.159	4	109.1732	0.025	4	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4]C)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4,5]C[4]C)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	108.6775	0.239	16	108.6775	0.057	16	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,5]C[6a]C[4])(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4,5]C[6a]C[4])(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	109.3405	0.005	2	109.3405	0.000	2	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4,6]C[4]H)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	109.4830	0.082	2	109.4830	0.007	2	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,6a]C[4]O)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4,6a]C[4]O)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	108.5283	0.077	3	108.5283	0.006	3	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2C)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4]2C)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	108.2785	0.725	10	108.2785	0.526	10	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4]2H)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	109.2758	0.156	4	109.2758	0.024	4	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2Ni)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4]2Ni)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	109.1923	0.462	35	109.1923	0.214	35	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]N[4]Rh)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4]N[4]Rh)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	108.8888	0.389	4	108.8888	0.151	4	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]P[4]H)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[4]P[4]H)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	109.0622	0.184	27	109.0622	0.034	27	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[6a]C[4]2)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	C(C[4]C[6a]C[4]2)(CH3)(H)2	C(CC[4]HH)(H)3	H(CC[4]CH)	108.6013	0.314	11	108.6013	0.099	11	108.9427	0.229	118	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[4]-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CH3)(H)(O)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4,5]C[4]H)(CH3)(H)(O)	C(CC[4]HO)(H)3	H(CC[4]CO)	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	108.4825	0.009	2	108.4825	0.000	2	108.7318	0.580	20	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	108.2365	0.012	2	108.2365	0.000	2	108.7318	0.580	20	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	108.1167	0.080	4	108.1167	0.006	4	108.7318	0.580	20	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	109.8522	0.565	5	109.8522	0.319	5	108.7318	0.580	20	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	108.2888	0.217	5	108.2888	0.047	5	108.7318	0.580	20	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	C(CC[5,5,6]HH)(H)3	H(CC[5,5,6]CH)	109.0130	0.034	2	109.0130	0.001	2	108.7318	0.580	20	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	C(CC[5,5]HH)(Br)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	C(CC[5,5]HH)(Br)(H)2	H(CC[5,5]CH)	109.3955	0.248	4	109.3955	0.061	4	109.2442	0.092	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C(CC[5,5]HH)(Br)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C(CC[5,5]HH)(Br)(H)2	H(CC[5,5]CH)	108.9415	0.047	2	108.9415	0.002	2	109.2442	0.092	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	108.4305	0.015	2	108.4305	0.000	2	108.6321	0.051	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	108.7930	0.008	2	108.7930	0.000	2	108.6321	0.051	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	108.2710	0.143	3	108.2710	0.021	3	108.6321	0.051	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	108.7647	0.232	3	108.7647	0.054	3	108.6321	0.051	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	108.7930	0.018	2	108.7930	0.000	2	108.6321	0.051	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	108.4650	0.169	6	108.4650	0.029	6	108.6321	0.051	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C(CC[5,5]HH)(H)3	H(CC[5,5]CH)	108.7355	0.166	14	108.7355	0.027	14	108.6321	0.051	32	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C(CC[5,6,6]HH)(Cl)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C(CC[5,6,6]HH)(Cl)(H)2	H(CC[5,6,6]CH)	109.0780	0.041	2	109.0780	0.002	2	109.0780	0.002	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	108.6741	0.166	17	108.6741	0.028	17	108.7540	0.758	29	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	110.9590	3.011	2	110.9590	9.065	2	108.7540	0.758	29	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	108.7495	0.008	2	108.7495	0.000	2	108.7540	0.758	29	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	108.1050	0.206	4	108.1050	0.042	4	108.7540	0.758	29	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	C(CC[5,6,6]HH)(H)3	H(CC[5,6,6]CH)	108.6420	0.090	4	108.6420	0.008	4	108.7540	0.758	29	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C(CC[5,6]HH)(F)3	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C(CC[5,6]HH)(F)3	H(CC[5,6]CH)	106.1710	1.616	2	106.1710	2.613	2	106.1710	2.613	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	109.1080	0.007	2	109.1080	0.000	2	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.3938	0.168	9	108.3938	0.028	9	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.8358	0.225	4	108.8358	0.051	4	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,6]2H)(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.9390	0.033	2	108.9390	0.001	2	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.4283	0.102	6	108.4283	0.010	6	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.2629	0.213	18	108.2629	0.045	18	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.4700	0.000	1	108.4700	0.000	1	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.8710	0.017	2	108.8710	0.000	2	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	110.4325	0.504	2	110.4325	0.254	2	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.0860	0.571	2	108.0860	0.326	2	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	C(CC[5,6]HH)(H)3	H(CC[5,6]CH)	108.5445	0.025	2	108.5445	0.001	2	108.5324	0.256	50	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C(CC[5]BrH)(H)3	H(CC[5]BrC)	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C(CC[5]BrH)(H)3	H(CC[5]BrC)	107.4880	0.000	1	107.4880	0.000	1	108.0555	0.644	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	C(CC[5]BrH)(H)3	H(CC[5]BrC)	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	C(CC[5]BrH)(H)3	H(CC[5]BrC)	108.6230	0.000	1	108.6230	0.000	1	108.0555	0.644	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(Cl)(H)	C(CC[5]ClH)(H)3	H(CC[5]ClC)	C(C[5]C[5]2H)(CH3)(Cl)(H)	C(CC[5]ClH)(H)3	H(CC[5]ClC)	108.5680	0.092	3	108.5680	0.008	3	108.5680	0.008	3	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C(CC[5]FH)(H)3	H(CC[5]CF)	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C(CC[5]FH)(H)3	H(CC[5]CF)	108.0805	0.822	2	108.0805	0.676	2	108.0805	0.676	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:Br-1:Br-1:Br-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C(CC[5]HH)(Br)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C(CC[5]HH)(Br)3	H(CC[5]CH)	106.9620	0.018	2	106.9620	0.000	2	106.9620	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:Br-1:Br-1:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	C(CC[5]HH)(Br)2(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	C(CC[5]HH)(Br)2(H)	H(CC[5]CH)	109.0100	0.007	2	109.0100	0.000	2	109.0100	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5,5]C[5]C)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	107.8470	0.020	2	107.8470	0.000	2	108.3530	0.266	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	108.1380	0.031	2	108.1380	0.001	2	108.3530	0.266	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	108.7940	0.016	2	108.7940	0.000	2	108.3530	0.266	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]2Cl)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	C(C[5]C[5]2Cl)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	108.2975	0.139	2	108.2975	0.019	2	108.3530	0.266	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]2H)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	C(C[5]C[5]2H)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	108.5870	0.000	1	108.5870	0.000	1	108.3530	0.266	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]N[5]H)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	108.8637	0.279	6	108.8637	0.078	6	108.3530	0.266	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	C(CC[5]HH)(F)3	H(CC[5]CH)	107.6962	0.092	4	107.6962	0.008	4	108.3530	0.266	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	C(CC[5]HH)(F)2(H)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	C(CC[5]HH)(F)2(H)	H(CC[5]CH)	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]B[5]P[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]B[5]P[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6235	0.485	4	108.6235	0.235	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8158	0.058	4	108.8158	0.003	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.0405	0.114	2	109.0405	0.013	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9330	0.021	2	108.9330	0.000	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]2H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]2H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.0660	0.048	2	109.0660	0.002	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.4585	0.008	2	108.4585	0.000	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5294	0.715	5	108.5294	0.511	5	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]C[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9900	0.061	2	108.9900	0.004	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3980	0.034	2	108.3980	0.001	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.7553	0.455	12	108.7553	0.207	12	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5845	0.022	2	108.5845	0.000	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5]O[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1655	0.059	2	109.1655	0.003	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5a]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5a]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3313	0.221	10	108.3313	0.049	10	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9690	0.027	2	108.9690	0.001	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3243	0.225	4	108.3243	0.051	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3859	0.218	51	108.3859	0.048	51	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9890	0.033	2	108.9890	0.001	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8125	0.052	2	108.8125	0.003	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Ru)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ru)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.4245	0.018	2	109.4245	0.000	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Zr)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]C[5]Zr)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.4037	0.278	21	109.4037	0.077	21	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8380	0.000	1	108.8380	0.000	1	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5603	0.239	20	108.5603	0.057	20	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5944	1.146	32	108.5944	1.313	32	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1730	0.099	3	109.1730	0.010	3	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5899	0.582	161	108.5899	0.339	161	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1279	0.088	12	109.1279	0.008	12	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.7930	0.000	1	108.7930	0.000	1	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.2949	0.234	453	108.2949	0.055	453	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5345	0.012	2	108.5345	0.000	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8330	0.341	6	108.8330	0.116	6	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.2330	0.503	3	108.2330	0.253	3	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6085	0.012	2	108.6085	0.000	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6810	0.035	2	108.6810	0.001	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3721	0.251	14	108.3721	0.063	14	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.3440	0.000	1	109.3440	0.000	1	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8293	0.121	3	108.8293	0.015	3	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5420	0.049	3	108.5420	0.002	3	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.2419	0.982	14	109.2419	0.964	14	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.4824	0.396	155	108.4824	0.157	155	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Co)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Co)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.2360	0.013	2	109.2360	0.000	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Cr)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Cr)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9194	0.318	161	108.9194	0.101	161	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Fe)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.9725	4.002	31	109.9725	16.020	31	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9875	0.445	34	108.9875	0.198	34	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Hf)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Hf)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9264	0.186	8	108.9264	0.035	8	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Ir)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.4907	0.393	6	109.4907	0.155	6	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Mn)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Mn)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.7365	0.374	29	108.7365	0.140	29	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5217	0.089	4	108.5217	0.008	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2O[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3538	0.367	4	108.3538	0.135	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Pd)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Pd)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.2690	0.404	6	108.2690	0.163	6	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Re)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Re)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.3730	0.000	1	109.3730	0.000	1	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Rh)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.4117	0.382	13	109.4117	0.146	13	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Ru)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.3526	0.879	27	109.3526	0.772	27	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ti)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Ti)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.6443	0.993	14	109.6443	0.985	14	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2U)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2U)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.4597	0.167	8	109.4597	0.028	8	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2W)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2W)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.4171	0.150	16	109.4171	0.023	16	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Zn)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Zn)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9600	0.358	4	108.9600	0.128	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2Zr)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8699	1.955	33	108.8699	3.821	33	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.2375	0.363	30	108.2375	0.132	30	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1024	0.388	41	109.1024	0.151	41	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3260	0.000	1	108.3260	0.000	1	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.7380	0.632	13	108.7380	0.399	13	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	110.1834	3.611	10	110.1834	13.041	10	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5]Fe)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]P[5]Fe)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.0442	0.204	21	109.0442	0.042	21	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8353	0.121	15	108.8353	0.015	15	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5]Ru)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]P[5]Ru)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6490	0.037	2	108.6490	0.001	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5]W)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]P[5]W)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.1718	0.182	4	109.1718	0.033	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.3537	0.229	7	108.3537	0.053	7	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8140	0.000	1	108.8140	0.000	1	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6255	0.046	2	108.6255	0.002	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.6280	0.052	2	108.6280	0.003	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	109.3995	0.039	2	109.3995	0.002	2	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]O[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]N[5]O[5]O)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.7850	0.188	3	108.7850	0.035	3	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]O[5]2C)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.8252	1.137	24	108.8252	1.292	24	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]Si[5]C[5]Rh)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]Si[5]C[5]Rh)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.9565	0.695	4	108.9565	0.483	4	108.6699	0.790	1606	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(C[5]C[5]2H)(CHHI)(H)2	C(CC[5]HH)(H)2(I)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHI)(H)2	C(CC[5]HH)(H)2(I)	H(CC[5]CH)	108.9280	0.013	2	108.9280	0.000	2	108.9280	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	H(CC[5]CI)	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	H(CC[5]CI)	107.7845	0.643	2	107.7845	0.413	2	108.9005	4.790	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C(CC[5]HI)(H)3	H(CC[5]CI)	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C(CC[5]HI)(H)3	H(CC[5]CI)	112.1350	0.000	1	112.1350	0.000	1	108.9005	4.790	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	H(CC[5]CI)	107.8980	0.000	1	107.8980	0.000	1	108.9005	4.790	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	C(CC[6,6]HH)(F)3	H(CC[6,6]CH)	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	C(CC[6,6]HH)(F)3	H(CC[6,6]CH)	107.8618	0.027	4	107.8618	0.001	4	107.7290	0.044	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	C(CC[6,6]HH)(F)3	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CF3)(H)2	C(CC[6,6]HH)(F)3	H(CC[6,6]CH)	107.4635	0.066	2	107.4635	0.004	2	107.7290	0.044	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.7962	0.268	33	108.7962	0.072	33	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]O)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.0987	0.583	4	108.0987	0.340	4	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.4550	0.472	20	108.4550	0.223	20	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.8265	0.006	2	108.8265	0.000	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5,3x6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.4710	0.000	1	108.4710	0.000	1	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5,5,3x6]C[6,6]C)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.4450	0.055	2	108.4450	0.003	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5,5,6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.4998	0.114	38	108.4998	0.013	38	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[3,6]C[6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.3209	0.175	8	108.3209	0.031	8	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6,6]H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	109.0885	0.012	2	109.0885	0.000	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6,6]O)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	109.4790	0.062	2	109.4790	0.004	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.2487	0.370	41	108.2487	0.137	41	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[5a,6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.3620	0.031	2	108.3620	0.001	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6]2H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	109.5825	1.409	2	109.5825	1.986	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6]2O)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[6,6]2O)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.5250	0.054	2	108.5250	0.003	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.2515	0.265	15	108.2515	0.070	15	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.6142	0.132	4	108.6142	0.017	4	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]C[6,6a]O[6,6]C[6])(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.6345	0.012	2	108.6345	0.000	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.0635	0.013	2	108.0635	0.000	2	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	C(CC[6,6]HH)(H)3	H(CC[6,6]CH)	108.2883	0.092	3	108.2883	0.008	3	108.4816	0.162	185	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:Br-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CBrHH)(Br)(H)	C(CC[6]BrH)(Br)(H)2	H(CC[6]BrC)	C(C[6]C[6]2H)(CBrHH)(Br)(H)	C(CC[6]BrH)(Br)(H)2	H(CC[6]BrC)	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:C-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CH3)(C)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Ru)(CH3)(C)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(C[6]C[6]2C)(CCl3)(H)2	C(CC[6]HH)(Cl)3	H(CC[6]CH)	C(C[6]C[6]2C)(CCl3)(H)2	C(CC[6]HH)(Cl)3	H(CC[6]CH)	107.0920	0.030	2	107.0920	0.001	2	107.0920	0.001	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CClHH)(H)2	C(CC[6]HH)(Cl)(H)2	H(CC[6]CH)	108.5130	0.268	6	108.5130	0.072	6	108.5130	0.072	6	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	107.6687	0.132	7	107.6687	0.017	7	107.9452	0.173	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	108.1510	0.407	5	108.1510	0.166	5	107.9452	0.173	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	108.7985	0.026	2	108.7985	0.001	2	107.9452	0.173	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	107.7325	0.008	2	107.7325	0.000	2	107.9452	0.173	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6]2C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	C(C[6]C[6]2C)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	107.8350	0.020	2	107.8350	0.000	2	107.9452	0.173	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6]2F)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	C(C[6]C[6]2F)(CF3)(H)2	C(CC[6]HH)(F)3	H(CC[6]CH)	107.7900	0.000	1	107.7900	0.000	1	107.9452	0.173	19	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C(CC[6]HH)(F)2(H)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CFFH)(H)2	C(CC[6]HH)(F)2(H)	H(CC[6]CH)	108.3955	0.248	4	108.3955	0.061	4	108.3955	0.061	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]B[6]P[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]B[6]P[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.4355	0.005	2	108.4355	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[3,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.9317	0.076	3	108.9317	0.006	3	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3,6]N[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[3,6]N[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0530	0.014	2	109.0530	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3]S[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[3]S[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.5540	0.007	2	108.5540	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,5,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5,5,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7930	0.007	2	108.7930	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5,6]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0340	0.008	2	109.0340	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.2955	0.197	13	108.2955	0.039	13	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.6820	0.447	24	108.6820	0.200	24	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.9920	0.010	2	108.9920	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5,6]O[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.6800	0.018	2	108.6800	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.3514	0.231	14	108.3514	0.054	14	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.2680	0.008	2	108.2680	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5a,6]C[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.4440	0.041	2	108.4440	0.002	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.6676	0.188	14	108.6676	0.035	14	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7758	0.845	11	108.7758	0.713	11	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7472	0.276	15	108.7472	0.076	15	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6]C[6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.3860	0.016	2	108.3860	0.000	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]O[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6]O[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.2880	0.589	4	109.2880	0.347	4	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.9861	0.150	14	108.9861	0.022	14	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.4928	0.207	17	108.4928	0.043	17	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.9010	0.314	12	108.9010	0.099	12	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7566	0.210	8	108.7566	0.044	8	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]C[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.0770	0.152	3	108.0770	0.023	3	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.4537	0.153	4	108.4537	0.024	4	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.7055	1.122	2	109.7055	1.259	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.4380	0.073	4	108.4380	0.005	4	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.6126	0.671	239	108.6126	0.450	239	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Co)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2Co)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.4374	0.316	8	108.4374	0.100	8	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2Cr)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7852	0.592	40	108.7852	0.350	40	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.6537	1.206	129	108.6537	1.455	129	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Mn)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2Mn)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0613	0.697	11	109.0613	0.485	11	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2N)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2N)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.9808	1.452	12	108.9808	2.108	12	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2N[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2N[6])(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.1016	0.094	8	109.1016	0.009	8	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.5231	0.208	13	108.5231	0.043	13	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Re)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2Re)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0991	0.406	12	109.0991	0.165	12	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2Ru)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.9300	0.863	59	108.9300	0.745	59	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2V)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]2V)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.6289	0.271	8	108.6289	0.074	8	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]3)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]3)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.6197	0.130	6	108.6197	0.017	6	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.8577	0.391	32	108.8577	0.153	32	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]N[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.5840	0.054	2	108.5840	0.003	2	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.5377	0.271	11	108.5377	0.074	11	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.2105	1.032	10	109.2105	1.064	10	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	110.1663	1.352	6	110.1663	1.829	6	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]S[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6]S[6]H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7306	0.382	25	108.7306	0.146	25	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.7046	0.282	44	108.7046	0.080	44	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]O[6]2H)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	108.8366	0.293	5	108.8366	0.086	5	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]Si[6]C[6]Li)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	C(C[6]Si[6]C[6]Li)(CH3)(H)2	C(CC[6]HH)(H)3	H(CC[6]CH)	109.0709	0.170	7	109.0709	0.029	7	108.7178	0.548	869	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CH3)(H)(O)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2Cr)(CH3)(H)(O)	C(CC[6]HO)(H)3	H(CC[6]CO)	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaBiCC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	C(GaBiCC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	108.5258	0.127	6	108.5258	0.016	6	108.9214	4.356	31	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaCOO)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	C(GaCOO)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	110.3401	3.857	8	110.3401	14.874	8	108.9214	4.356	31	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaCSS)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	C(GaCSS)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	108.4270	0.572	7	108.4270	0.328	7	108.9214	4.356	31	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaN[6]CC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	C(GaN[6]CC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	108.2760	0.392	4	108.2760	0.154	4	108.9214	4.356	31	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaSnCC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	C(GaSnCC)(CH3)(H)2	C(CGaHH)(H)3	H(CGaCH)	108.4325	0.662	6	108.4325	0.439	6	108.9214	4.356	31	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[4]O[4]2C)(CH3)(H)2	C(CGa[4]HH)(H)3	H(CGa[4]CH)	C(Ga[4]O[4]2C)(CH3)(H)2	C(CGa[4]HH)(H)3	H(CGa[4]CH)	110.8745	4.699	8	110.8745	22.081	8	110.8745	22.081	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	108.3545	0.544	4	108.3545	0.296	4	108.1016	0.590	15	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[6]N[6]2Bi)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	C(Ga[6]N[6]2Bi)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	107.2455	0.009	2	107.2455	0.000	2	108.1016	0.590	15	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[6]N[6]2C)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	C(Ga[6]N[6]2C)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	108.6325	0.808	4	108.6325	0.653	4	108.1016	0.590	15	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[6]N[6]2In)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	C(Ga[6]N[6]2In)(CH3)(H)2	C(CGa[6]HH)(H)3	H(CGa[6]CH)	107.8170	0.736	5	107.8170	0.541	5	108.1016	0.590	15	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ge-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeC3)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	C(GeC3)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	108.4808	0.265	5	108.4808	0.070	5	108.5402	0.170	23	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ge-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeCCO)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	C(GeCCO)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	108.9995	0.476	4	108.9995	0.227	4	108.5402	0.170	23	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ge-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeFeCC)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	C(GeFeCC)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	108.6813	0.262	6	108.6813	0.069	6	108.5402	0.170	23	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ge-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeGeCC)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	C(GeGeCC)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	108.2417	0.326	8	108.2417	0.106	8	108.5402	0.170	23	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Ge[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	C(CGe[5]HH)(H)3	H(CGe[5]CH)	C(Ge[5]C[5,5a]2Ge[5])(CH3)(H)2	C(CGe[5]HH)(H)3	H(CGe[5]CH)	108.7495	0.150	4	108.7495	0.023	4	108.7495	0.023	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	In-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(InCSS)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	C(InCSS)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	108.8294	0.407	12	108.8294	0.166	12	108.9929	0.212	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	In-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(InGa[6]C[5]C)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	C(InGa[6]C[5]C)(CH3)(H)2	C(CInHH)(H)3	H(CInCH)	109.4832	0.147	4	109.4832	0.022	4	108.9929	0.212	16	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	In[4,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(In[4,5]O[4,5]2N[5])(CH3)(H)2	C(CIn[4,5]HH)(H)3	H(CIn[4,5]CH)	C(In[4,5]O[4,5]2N[5])(CH3)(H)2	C(CIn[4,5]HH)(H)3	H(CIn[4,5]CH)	108.7450	0.895	3	108.7450	0.800	3	108.7450	0.800	3	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	In[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(In[4]As[4]2C)(CH3)(H)2	C(CIn[4]HH)(H)3	H(CIn[4]CH)	C(In[4]As[4]2C)(CH3)(H)2	C(CIn[4]HH)(H)3	H(CIn[4]CH)	108.4465	0.233	4	108.4465	0.054	4	108.4465	0.054	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	In[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(In[6]N[6]2Bi)(CH3)(H)2	C(CIn[6]HH)(H)3	H(CIn[6]CH)	C(In[6]N[6]2Bi)(CH3)(H)2	C(CIn[6]HH)(H)3	H(CIn[6]CH)	107.9575	0.052	2	107.9575	0.003	2	107.9575	0.003	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(NCCH)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	C(NCCH)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	108.7420	0.122	4	108.7420	0.015	4	107.9757	0.455	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(NNiCC)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	C(NNiCC)(CF3)(H)2	C(CHHN)(F)3	H(CCHN)	107.4648	0.167	6	107.4648	0.028	6	107.9757	0.455	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NAl2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NAl2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9317	0.459	4	108.9317	0.211	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NAlCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NAlCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5911	0.315	17	108.5911	0.099	17	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NBCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.3857	0.251	30	108.3857	0.063	30	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NBHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NBHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6475	0.029	2	108.6475	0.001	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[3,3,5,3x6]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NB[3,3,5,3x6]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8212	0.070	4	108.8212	0.005	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[3,3,6,6]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NB[3,3,6,6]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7887	0.250	4	108.7887	0.063	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[5a]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NB[5a]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2123	1.477	16	109.2123	2.182	16	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.2573	0.210	6	108.2573	0.044	6	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NBeCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NBeCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9965	0.898	12	108.9965	0.806	12	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCCD)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCCD)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7272	0.099	4	108.7272	0.010	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9710	1.128	1714	108.9710	1.273	1714	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCCN)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCCN)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6010	0.857	4	108.6010	0.734	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCCO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCCO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	112.3707	1.247	6	112.3707	1.554	6	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.6673	1.004	325	109.6673	1.008	325	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCHO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCHO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9939	0.213	8	108.9939	0.045	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCOV)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCOV)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8576	0.231	13	108.8576	0.053	13	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[4]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[4]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4148	0.107	14	108.4148	0.011	14	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[5]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[5]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.2544	0.279	10	108.2544	0.078	10	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]CC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.1980	0.144	11	108.1980	0.021	11	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3988	0.046	4	109.3988	0.002	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]CuC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]CuC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8480	0.199	8	108.8480	0.040	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]CuH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]CuH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	111.9010	2.837	6	111.9010	8.048	6	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]HH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]HH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2865	0.032	2	109.2865	0.001	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]LiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]LiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9291	0.152	22	108.9291	0.023	22	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]ZnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]ZnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9256	0.118	13	108.9256	0.014	13	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]ZnH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6]ZnH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3175	0.074	6	109.3175	0.006	6	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0550	2.517	46	109.0550	6.334	46	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]HH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]HH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1650	0.370	4	109.1650	0.137	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]Li2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]Li2)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5780	0.023	2	108.5780	0.001	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]NiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]NiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1082	0.042	4	109.1082	0.002	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]PdC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]PdC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	111.5493	1.271	4	111.5493	1.616	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]TiH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NC[6a]TiH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	110.1255	0.134	2	110.1255	0.018	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCaCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCaCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4555	0.355	4	108.4555	0.126	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCoCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.3629	0.294	32	108.3629	0.087	32	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCoCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9475	0.028	2	108.9475	0.001	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCoHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2285	0.018	2	109.2285	0.000	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoSiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCoSiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7837	0.119	4	108.7837	0.014	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCrCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCrCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.2943	0.192	8	108.2943	0.037	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCuCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6202	0.345	72	108.6202	0.119	72	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCuCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8462	0.403	11	108.8462	0.162	11	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCuHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.6100	0.653	2	109.6100	0.427	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuLiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NCuLiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1565	0.030	2	109.1565	0.001	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NFeCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5581	0.311	8	108.5581	0.097	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NFeCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6294	0.108	16	108.6294	0.012	16	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NHf2N)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NHf2N)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.4050	0.013	2	109.4050	0.000	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NInCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NInCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9317	0.171	6	108.9317	0.029	6	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NIn[4]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NIn[4]CH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.0420	0.072	3	109.0420	0.005	3	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NIrCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NIrCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4728	0.292	39	108.4728	0.085	39	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLi2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NLi2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4247	0.582	4	108.4247	0.338	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLiCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NLiCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4229	0.320	30	108.4229	0.102	30	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMgCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMgCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.9165	0.363	2	108.9165	0.132	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMgCP)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMgCP)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5359	0.301	15	108.5359	0.091	15	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMn2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMn2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5440	0.062	8	108.5440	0.004	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMnCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMnCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7123	1.187	31	108.7123	1.410	31	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMoCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMoCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4273	0.197	4	108.4273	0.039	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMoCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NMoCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	110.8903	2.853	8	110.8903	8.141	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NNiCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4585	0.539	124	108.4585	0.291	124	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NNiCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	106.9103	4.199	16	106.9103	17.632	16	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiSiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NNiSiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5060	0.284	4	108.5060	0.080	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NPdCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5883	0.413	138	108.5883	0.171	138	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NPdCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1888	0.371	21	109.1888	0.138	21	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPtCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NPtCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4627	0.491	27	108.4627	0.241	27	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPtCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NPtCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8535	0.066	2	108.8535	0.004	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPtHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NPtHH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2002	0.101	4	109.2002	0.010	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NReCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NReCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.3337	0.206	13	108.3337	0.043	13	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NReCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NReCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5835	0.075	4	108.5835	0.006	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRhCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NRhCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5075	0.372	34	108.5075	0.138	34	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRhCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NRhCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.3309	0.083	8	109.3309	0.007	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRu2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NRu2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	107.9295	0.056	2	107.9295	0.003	2	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRuBC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NRuBC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6470	0.090	4	108.6470	0.008	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRuCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NRuCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4765	0.296	42	108.4765	0.088	42	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRuCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NRuCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6323	0.172	6	108.6323	0.030	6	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSi2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSi2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.1761	2.245	8	109.1761	5.038	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSiZnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSiZnC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6885	0.216	4	108.6885	0.047	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSi[5]LiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSi[5]LiC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.4862	0.360	16	108.4862	0.129	16	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSn2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSn2C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.6007	0.031	3	108.6007	0.001	3	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSnCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NSnCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5703	0.088	3	108.5703	0.008	3	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTiCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NTiCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5379	0.356	8	108.5379	0.127	8	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NTiCO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NTiCO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8405	0.742	4	108.8405	0.550	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NZnCC)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.5307	0.541	36	108.5307	0.293	36	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NZnCH)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	109.2772	0.041	4	109.2772	0.002	4	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnCO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NZnCO)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.7053	0.441	24	108.7053	0.194	24	108.9346	1.255	3201	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CBrHH)(H)2	C(CN[3x6]HH)(Br)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CBrHH)(H)2	C(CN[3x6]HH)(Br)(H)2	H(CN[3x6]CH)	108.8493	0.038	11	108.8493	0.001	11	108.8493	0.001	11	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CClHH)(H)2	C(CN[3x6]HH)(Cl)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CClHH)(H)2	C(CN[3x6]HH)(Cl)(H)2	H(CN[3x6]CH)	108.7830	0.017	2	108.7830	0.000	2	108.7830	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CFHH)(H)2	C(CN[3x6]HH)(F)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CFHH)(H)2	C(CN[3x6]HH)(F)(H)2	H(CN[3x6]CH)	108.2675	0.023	2	108.2675	0.001	2	108.2675	0.001	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	H(CN[3x6]CH)	108.5165	0.338	21	108.5165	0.114	21	108.5165	0.114	21	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]B[4]C[4]C)(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	C(N[4]B[4]C[4]C)(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	108.7091	1.061	7	108.7091	1.125	7	108.6979	0.354	21	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	H(CN[4]CH)	108.6923	0.161	14	108.6923	0.026	14	108.6979	0.354	21	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[4a,6a]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	C(CN[4a,6a]HH)(H)3	H(CN[4a,6a]CH)	C(N[4a,6a]B[3,3,4a,6a]B[3,4a,6a]C)(CH3)(H)2	C(CN[4a,6a]HH)(H)3	H(CN[4a,6a]CH)	108.6457	0.132	7	108.6457	0.017	7	108.6457	0.017	7	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5,6]C[5,6]2C)(CH3)(H)2	C(CN[5,6]HH)(H)3	H(CN[5,6]CH)	C(N[5,6]C[5,6]2C)(CH3)(H)2	C(CN[5,6]HH)(H)3	H(CN[5,6]CH)	108.9008	0.051	5	108.9008	0.003	5	108.9008	0.003	5	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CClHH)(H)2	C(CN[5]HH)(Cl)(H)2	H(CN[5]CH)	108.7640	0.017	2	108.7640	0.000	2	108.7640	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]B[5]C[5]C)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]B[5]C[5]C)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.2373	0.031	3	108.2373	0.001	3	108.7052	0.101	24	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2C)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]2C)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.7763	0.175	12	108.7763	0.031	12	108.7052	0.101	24	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]2H)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.4135	0.009	2	108.4135	0.000	2	108.7052	0.101	24	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2Mg)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]2Mg)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.9245	0.025	2	108.9245	0.001	2	108.7052	0.101	24	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2Ni)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]2Ni)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	108.3330	0.011	2	108.3330	0.000	2	108.7052	0.101	24	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2Zn)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	C(N[5]C[5]2Zn)(CH3)(H)2	C(CN[5]HH)(H)3	H(CN[5]CH)	109.1850	0.104	3	109.1850	0.011	3	108.7052	0.101	24	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[5a]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	C(N[5a]C[5a,6a]N[5a]C)(CH3)(H)2	C(CN[5a]HH)(H)3	H(CN[5a]CH)	108.9398	0.048	4	108.9398	0.002	4	108.9398	0.002	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	109.3595	0.023	2	109.3595	0.001	2	109.4003	0.005	3	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	H(CN[6,6]CH)	109.4820	0.000	1	109.4820	0.000	1	109.4003	0.005	3	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	H(CN[6]CH)	108.2169	1.219	8	108.2169	1.486	8	108.2169	1.486	8	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CFHH)(H)2	C(CN[6]HH)(F)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CFHH)(H)2	C(CN[6]HH)(F)(H)2	H(CN[6]CH)	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6]Cu)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6]C[6]Cu)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	108.5050	0.013	2	108.5050	0.000	2	109.2231	1.863	59	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	110.9595	0.370	4	110.9595	0.137	4	109.2231	1.863	59	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.1489	1.267	10	109.1489	1.605	10	109.2231	1.863	59	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	H(CN[6]CH)	109.1123	1.376	43	109.1123	1.893	43	109.2231	1.863	59	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMn2Sb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMn2Sb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	110.3865	7.833	2	110.3865	61.350	2	106.5958	82.550	12	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OMn3)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OMn3)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	107.9135	0.025	2	107.9135	0.001	2	106.5958	82.550	12	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONi2Sb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ONi2Sb)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	111.5920	0.557	2	111.5920	0.310	2	106.5958	82.550	12	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(ONi3)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(ONi3)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	91.0393	15.827	2	91.0393	250.508	2	106.5958	82.550	12	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZn3)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	C(OZn3)(CH3)(H)2	C(CHHO)(H)3	H(CCHO)	109.3218	0.057	4	109.3218	0.003	4	106.5958	82.550	12	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:C-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCW)(CH3)(C)(H)	C(CCHP)(H)3	H(CCCP)	C(PCCW)(CH3)(C)(H)	C(CCHP)(H)3	H(CCCP)	102.8940	0.000	1	102.8940	0.000	1	102.8940	0.000	1	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PAgCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PAgCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.8092	0.387	14	108.8092	0.150	14	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PAuCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PAuCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7580	0.346	59	108.7580	0.120	59	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.5108	1.000	69	108.5108	0.999	69	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PBCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PBCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7333	0.316	16	108.7333	0.100	16	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PB[3]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PB[3]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.2950	0.357	6	108.2950	0.127	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PB[5a]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PB[5a]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	110.7390	0.606	6	110.7390	0.367	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.2302	0.105	4	109.2302	0.011	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4266	0.442	34	108.4266	0.195	34	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7007	0.384	131	108.7007	0.147	131	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.8764	1.959	33	109.8764	3.839	33	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCS)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCCS)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7648	0.101	4	108.7648	0.010	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCV)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCCV)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4191	0.490	11	108.4191	0.240	11	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCCW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.2623	0.800	123	108.2623	0.641	123	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCNW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCNW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.4808	0.043	4	109.4808	0.002	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]CW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]CW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.3165	0.821	53	107.3165	0.674	53	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]FeC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]FeC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.0272	0.627	16	107.0272	0.393	16	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]MoC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]MoC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.4929	0.631	46	107.4929	0.399	46	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]PdC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]PdC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6737	0.051	8	108.6737	0.003	8	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]RuC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]RuC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	106.2834	3.199	51	106.2834	10.231	51	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]2C[6a])(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5a]2C[6a])(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.8912	0.159	4	108.8912	0.025	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]3)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5a]3)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6530	0.041	2	108.6530	0.002	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]BC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5a]BC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.5898	1.488	12	108.5898	2.214	12	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]CW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5a]CW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7900	0.495	23	108.7900	0.245	23	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]2O)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6]2O)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.1630	0.042	2	109.1630	0.002	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.4040	0.093	6	109.4040	0.009	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Co)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Co)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.9080	0.020	2	108.9080	0.000	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Cu)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.5426	1.819	12	109.5426	3.309	12	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Ir)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.1737	1.103	4	108.1737	1.218	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Mo)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7260	0.004	2	108.7260	0.000	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Ni)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.9205	0.390	10	108.9205	0.152	10	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2O)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2O)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.6650	0.006	2	107.6650	0.000	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2P)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2P)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6150	0.000	1	108.6150	0.000	1	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Pd)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6870	0.082	2	108.6870	0.007	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Pt)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.5863	0.315	3	108.5863	0.099	3	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Re)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]2Re)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7717	0.325	4	108.7717	0.106	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]3)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]3)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.1421	1.145	53	109.1421	1.311	53	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]AlC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]AlC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6760	0.025	2	108.6760	0.001	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7061	0.399	32	108.7061	0.159	32	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]CO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7890	0.000	1	108.7890	0.000	1	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]C[6]O)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]C[6]O)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.2350	0.011	2	109.2350	0.000	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CuC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]CuC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6596	0.518	12	108.6596	0.268	12	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]FeC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]FeC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	111.1782	1.899	6	111.1782	3.607	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]NiC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]NiC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7307	0.477	15	108.7307	0.228	15	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]OO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]OO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.1965	0.018	2	108.1965	0.000	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PS)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]PS)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.4080	0.000	1	109.4080	0.000	1	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PdC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]PdC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.9265	0.353	17	108.9265	0.125	17	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PtC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]PtC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.9164	0.287	7	108.9164	0.082	7	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]ReC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]ReC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.0329	0.516	15	108.0329	0.266	15	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]RhC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[6a]RhC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	111.1494	1.813	8	111.1494	3.285	8	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCoCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4228	0.516	73	108.4228	0.267	73	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCr2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCr2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4387	0.160	7	108.4387	0.026	7	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCrCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCrCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.9741	0.411	48	107.9741	0.169	48	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCrCN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCrCN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.4740	0.000	1	109.4740	0.000	1	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCrCS)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCrCS)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6433	0.426	3	108.6433	0.182	3	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCuCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCuCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6491	0.540	185	108.6491	0.291	185	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCuCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PCuCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.4986	1.102	8	109.4986	1.214	8	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PFeCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PFeCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4516	0.791	478	108.4516	0.626	478	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PFeCN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PFeCN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.4704	0.023	7	109.4704	0.001	7	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	110.1015	1.685	25	110.1015	2.841	25	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PGe[5]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PGe[5]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7447	0.503	6	108.7447	0.253	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PHfCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PHfCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.1711	0.464	18	108.1711	0.215	18	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIrCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PIrCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.2813	0.449	79	108.2813	0.201	79	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMnCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PMnCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.1976	0.537	17	108.1976	0.288	17	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMo2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PMo2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4200	0.822	2	108.4200	0.675	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PMoCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.1257	0.655	122	108.1257	0.429	122	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoSiC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PMoSiC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4464	0.540	9	108.4464	0.291	9	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[4]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PN[4]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4565	0.150	6	108.4565	0.022	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[5a]CO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PN[5a]CO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.1058	0.206	4	109.1058	0.042	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNb[5]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PNb[5]CC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4170	0.353	4	108.4170	0.124	4	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNiCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PNiCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6332	0.695	477	108.6332	0.483	477	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(POsCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(POsCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4482	0.404	18	108.4482	0.163	18	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPbCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PPbCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.8202	0.434	6	108.8202	0.189	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PPdCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6320	0.564	527	108.6320	0.319	527	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PPdCO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.5886	0.355	12	108.5886	0.126	12	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPtCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PPtCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6019	0.626	1750	108.6019	0.392	1750	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRe2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRe2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.8641	3.000	12	107.8641	9.002	12	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PReCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PReCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.3100	0.643	214	108.3100	0.414	214	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PReCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PReCH)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	109.7387	4.212	6	109.7387	17.745	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRhCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4164	0.515	418	108.4164	0.265	418	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRhCP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.2290	0.610	16	108.2290	0.372	16	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhPP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRhPP)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6945	0.080	2	108.6945	0.006	2	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhTaC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRhTaC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6955	0.352	8	108.6955	0.124	8	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRu2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRu2C)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.2750	0.141	3	108.2750	0.020	3	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRuCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.9092	1.351	109	107.9092	1.824	109	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSbCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PSbCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7838	0.330	36	108.7838	0.109	36	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSnCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PSnCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6032	0.424	47	108.6032	0.179	47	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PTiCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PTiCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.8954	1.753	26	108.8954	3.073	26	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PZrCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PZrCC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	107.9915	0.050	6	107.9915	0.003	6	108.5194	0.748	5747	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[4,4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4,4]P[3,4,4]2Cl)(CH3)(H)2	C(CP[4,4]HH)(H)3	H(CP[4,4]CH)	C(P[4,4]P[3,4,4]2Cl)(CH3)(H)2	C(CP[4,4]HH)(H)3	H(CP[4,4]CH)	109.0625	0.005	2	109.0625	0.000	2	109.0625	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4]B[4]2C)(CH3)(H)2	C(CP[4]HH)(H)3	H(CP[4]CH)	C(P[4]B[4]2C)(CH3)(H)2	C(CP[4]HH)(H)3	H(CP[4]CH)	108.5770	0.143	8	108.5770	0.020	8	108.4592	0.045	12	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4]In[4]2C)(CH3)(H)2	C(CP[4]HH)(H)3	H(CP[4]CH)	C(P[4]In[4]2C)(CH3)(H)2	C(CP[4]HH)(H)3	H(CP[4]CH)	108.2235	0.078	4	108.2235	0.006	4	108.4592	0.045	12	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5]P[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	C(P[5]C[5]P[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	108.9927	0.280	13	108.9927	0.078	13	108.9570	0.442	41	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	C(P[5]C[5x3,6x5,20x6]2Se)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	108.8910	0.035	2	108.8910	0.001	2	108.9570	0.442	41	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]Ge[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	C(P[5]Ge[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	108.9648	0.405	6	108.9648	0.164	6	108.9570	0.442	41	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]N[5]O[5]O)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	C(P[5]N[5]O[5]O)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	109.5422	1.556	6	109.5422	2.421	6	108.9570	0.442	41	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]Nb[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	C(P[5]Nb[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	108.5008	0.073	6	108.5008	0.005	6	108.9570	0.442	41	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]Si[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	C(P[5]Si[5]C[5]C)(CH3)(H)2	C(CP[5]HH)(H)3	H(CP[5]CH)	108.8131	0.205	8	108.8131	0.042	8	108.9570	0.442	41	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	P[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]C[6a]N[6]2)(CH3)(H)2	C(CP[6]HH)(H)3	H(CP[6]CH)	C(P[6]C[6a]N[6]2)(CH3)(H)2	C(CP[6]HH)(H)3	H(CP[6]CH)	108.9048	0.112	10	108.9048	0.013	10	108.9048	0.013	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]NO)(CH3)(F)(H)	C(CFHS)(H)3	H(CCFS)	C(SC[6a]NO)(CH3)(F)(H)	C(CFHS)(H)3	H(CCFS)	110.4730	0.086	2	110.4730	0.007	2	110.4730	0.007	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(SC[6a]OO)(CFHH)(H)2	C(CHHS)(F)(H)2	H(CCHS)	C(SC[6a]OO)(CFHH)(H)2	C(CHHS)(F)(H)2	H(CCHS)	108.6355	0.013	2	108.6355	0.000	2	108.6355	0.000	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SBeNN)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SBeNN)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.4050	0.000	1	109.4050	0.000	1	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCOO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SCOO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.2957	0.504	12	109.2957	0.254	12	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5,6]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[5,6]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	110.0660	0.037	2	110.0660	0.001	2	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[5a]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	108.4410	0.288	6	108.4410	0.083	6	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.1520	0.079	2	109.1520	0.006	2	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6a]OO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.4670	0.037	2	109.4670	0.001	2	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]RuO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SC[6a]RuO)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.4963	0.176	6	109.4963	0.031	6	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SPt2C)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	C(SPt2C)(CH3)(H)2	C(CHHS)(H)3	H(CCHS)	109.6243	0.185	13	109.6243	0.034	13	109.3423	0.256	44	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	S[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	C(CS[6]HH)(H)3	H(CS[6]CH)	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	C(CS[6]HH)(H)3	H(CS[6]CH)	109.7290	0.038	2	109.7290	0.001	2	109.7290	0.001	2	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC3)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.5593	0.797	172	108.5593	0.635	172	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.2647	0.691	16	108.2647	0.477	16	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCCN)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.3928	0.450	23	108.3928	0.202	23	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCCO)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.6084	0.668	161	108.6084	0.447	161	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCP)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCCP)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.3171	0.715	11	108.3171	0.511	11	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCS)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCCS)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.2035	0.077	2	108.2035	0.006	2	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCW)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCCW)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	107.4540	0.294	6	107.4540	0.086	6	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCOO)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCOO)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.5775	0.502	11	108.5775	0.252	11	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[3x3,4,3x5,14x6]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.0843	0.230	7	108.0843	0.053	7	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5]2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[5]2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.3192	0.347	6	108.3192	0.120	6	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[5]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.2892	0.558	61	108.2892	0.311	61	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5a]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[5a]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.0258	3.182	4	108.0258	10.126	4	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6]CH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[6]CH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.9164	0.309	10	108.9164	0.095	10	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]2O)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[6a]2O)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	105.5175	0.586	2	105.5175	0.344	2	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]2Rh)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[6a]2Rh)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	107.2385	0.093	2	107.2385	0.009	2	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[6a]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.6650	0.289	25	108.6650	0.083	25	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]C[5]C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[6a]C[5]C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.5853	0.158	4	108.5853	0.025	4	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCuSi2)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCuSi2)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.6248	0.140	4	108.6248	0.020	4	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiFe2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiFe2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.7172	0.657	9	108.7172	0.431	9	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiIrCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiIrCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.2040	0.299	41	108.2040	0.089	41	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiN[5]3)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiN[5]3)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	107.9505	0.016	2	107.9505	0.000	2	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiN[5a]2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiN[5a]2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	109.0125	0.071	4	109.0125	0.005	4	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiN[6]BrH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiN[6]BrH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	106.6090	0.035	2	106.6090	0.001	2	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiNiCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiNiCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.9347	0.217	6	108.9347	0.047	6	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiPt2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiPt2C)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.2588	0.143	4	108.2588	0.020	4	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiPtCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiPtCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.8022	0.518	20	108.8022	0.268	20	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiPtRuC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiPtRuC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	109.8992	1.182	4	109.8992	1.397	4	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiRhCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiRhCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.2188	0.413	31	108.2188	0.170	31	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiRhCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiRhCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.5213	0.015	3	108.5213	0.000	3	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiRhCO)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiRhCO)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	107.9901	0.208	8	107.9901	0.043	8	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiRuCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiRuCC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.3184	0.234	28	108.3184	0.055	28	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiRuCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiRuCH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.3313	0.516	3	108.3313	0.266	3	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSiCN)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiSiCN)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.4020	0.007	2	108.4020	0.000	2	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSi[6]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiSi[6]CC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.1818	0.861	6	108.1818	0.741	6	108.4645	0.500	700	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]C[5,6a]2C)(CH3)(H)2	C(CSi[5]HH)(H)3	H(CSi[5]CH)	C(Si[5]C[5,6a]2C)(CH3)(H)2	C(CSi[5]HH)(H)3	H(CSi[5]CH)	108.3773	0.088	4	108.3773	0.008	4	108.3773	0.008	4	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	C(CSi[6]HH)(H)3	H(CSi[6]CH)	C(Si[6]C[6,6]O[6]C)(CH3)(H)2	C(CSi[6]HH)(H)3	H(CSi[6]CH)	108.4192	0.421	6	108.4192	0.178	6	108.4788	0.113	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:1:1:1:	4:	Si[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6]C[6]N[6]C)(CH3)(H)2	C(CSi[6]HH)(H)3	H(CSi[6]CH)	C(Si[6]C[6]N[6]C)(CH3)(H)2	C(CSi[6]HH)(H)3	H(CSi[6]CH)	108.5683	0.158	4	108.5683	0.025	4	108.4788	0.113	10	108.7794	1.442	49085	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CBrCH)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	H(CBrCC)	C(CBrCH)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	H(CBrCC)	107.6540	0.091	2	107.6540	0.008	2	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHN)(CHHO)(Br)(H)	C(CBrCH)(OS)(H)2	H(CBrCC)	C(CCHN)(CHHO)(Br)(H)	C(CBrCH)(OS)(H)2	H(CBrCC)	108.7110	0.000	1	108.7110	0.000	1	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	H(CBrCC)	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	H(CBrCC)	109.2345	0.333	2	109.2345	0.111	2	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	H(CBrCC)	C(CC[6a]CH)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	H(CBrCC)	108.2305	0.185	2	108.2305	0.034	2	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]ClH)(CHHO)(Br)(H)	C(CBrCH)(OH)(H)2	H(CBrCC)	C(CC[6a]ClH)(CHHO)(Br)(H)	C(CBrCH)(OH)(H)2	H(CBrCC)	109.4410	0.000	1	109.4410	0.000	1	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHO)(Br)(H)	C(CBrCH)(OH)(H)2	H(CBrCC)	C(CC[6a]HN)(CHHO)(Br)(H)	C(CBrCH)(OH)(H)2	H(CBrCC)	107.0360	0.000	1	107.0360	0.000	1	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHO)(Br)(H)	C(CBrCH)(OSi)(H)2	H(CBrCC)	C(CC[6a]HN)(CHHO)(Br)(H)	C(CBrCH)(OSi)(H)2	H(CBrCC)	107.3840	0.000	2	107.3840	0.000	2	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(Br)(H)	C(CBrCH)(OH)(H)2	H(CBrCC)	C(CC[6a]HO)(CHHO)(Br)(H)	C(CBrCH)(OH)(H)2	H(CBrCC)	107.5687	0.480	3	107.5687	0.230	3	108.0643	0.675	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CBrCC)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	C(CBrCC)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	106.5540	0.000	1	106.5540	0.000	1	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	C(CCHH)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	108.7010	0.014	2	108.7010	0.000	2	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	107.6157	0.229	3	107.6157	0.053	3	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	108.7013	0.170	3	108.7013	0.029	3	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]ClH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	C(CC[6a]ClH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	108.2415	0.325	2	108.2415	0.105	2	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	C(CC[6a]HH)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	108.9490	0.372	2	108.9490	0.138	2	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	107.6338	0.516	5	107.6338	0.266	5	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CClHH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	C(CClHH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	H(CClCC)	107.9090	0.000	1	107.9090	0.000	1	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CC3)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	C(CHHO)(CC3)(Cl)(H)	C(CClCH)(OH)(H)2	H(CClCC)	107.7187	1.061	3	107.7187	1.126	3	108.0237	0.549	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCFH)(CHHO)(F)(H)	C(CCFH)(OS)(H)2	H(CCCF)	C(CCFH)(CHHO)(F)(H)	C(CCFH)(OS)(H)2	H(CCCF)	108.7420	0.000	1	108.7420	0.000	1	109.0985	0.254	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(F)(H)	C(CCFH)(OH)(H)2	H(CCCF)	C(CC[6a]HH)(CHHO)(F)(H)	C(CCFH)(OH)(H)2	H(CCCF)	109.4550	0.000	1	109.4550	0.000	1	109.0985	0.254	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:Cl-1:H-1:	C-4:	C(CC[6a]CN)(CClCH)(H)2	C(CCHH)(CN)(Cl)(H)	H(CCCH)	C(CC[6a]CN)(CClCH)(H)2	C(CCHH)(CN)(Cl)(H)	H(CCCH)	108.5890	0.062	2	108.5890	0.004	2	108.5890	0.004	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:F-1:H-1:	C-4:	C(CCFH)(CCHN)(H)2	C(CCHH)(CN)(F)(H)	H(CCCH)	C(CCFH)(CCHN)(H)2	C(CCHH)(CN)(F)(H)	H(CCCH)	108.8430	0.006	2	108.8430	0.000	2	108.8430	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.1300	0.461	4	108.1300	0.213	4	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	108.9592	0.656	24	108.9592	0.430	24	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.5170	0.004	2	109.5170	0.000	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.4617	0.362	4	108.4617	0.131	4	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.2005	0.344	15	109.2005	0.118	15	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.9123	1.367	57	108.9123	1.868	57	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	108.3650	1.270	2	108.3650	1.613	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(COs)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(COs)(H)2	H(CCCH)	109.0780	0.069	2	109.0780	0.005	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.2199	1.827	9	109.2199	3.340	9	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	109.8275	0.299	2	109.8275	0.089	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.3520	0.000	1	109.3520	0.000	1	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.8221	0.746	126	108.8221	0.557	126	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CH)(H)2	H(CCCH)	111.0905	2.734	2	111.0905	7.477	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.4646	1.722	49	109.4646	2.965	49	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(COs)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(COs)(H)2	H(CCCH)	108.7805	0.054	2	108.7805	0.003	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.6636	0.089	7	108.6636	0.008	7	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.7588	0.683	5	108.7588	0.467	5	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	108.9160	0.033	2	108.9160	0.001	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.0426	0.482	8	109.0426	0.232	8	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCoHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCoHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	105.6135	0.729	2	105.6135	0.531	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCuHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CCuHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.2560	0.071	2	109.2560	0.005	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.5160	0.011	2	109.5160	0.000	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH)(H)2	H(CCCH)	109.0025	0.006	2	109.0025	0.000	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.3674	1.051	39	109.3674	1.105	39	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.3730	0.008	2	109.3730	0.000	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	110.1631	1.410	12	110.1631	1.989	12	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	109.3864	0.599	10	109.3864	0.359	10	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	108.4790	0.021	2	108.4790	0.000	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	108.3325	1.515	2	108.3325	2.296	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	H(CCCH)	109.1490	0.034	2	109.1490	0.001	2	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	H(CCCH)	108.9841	0.325	15	108.9841	0.105	15	109.0515	1.257	415	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Ge-2:H-1:H-1:	C-4:	C(CGeHH)(CCCH)(H)2	C(CCHH)(GeN)(H)2	H(CCCH)	C(CGeHH)(CCCH)(H)2	C(CCHH)(GeN)(H)2	H(CCCH)	108.2725	0.062	2	108.2725	0.004	2	108.2725	0.004	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	108.5544	1.772	140	108.5544	3.141	140	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	109.5894	0.159	8	109.5894	0.025	8	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	110.1442	0.909	8	110.1442	0.826	8	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CC[6a]2H)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CC[6a]2H)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	109.2812	0.176	4	109.2812	0.031	4	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	109.0008	0.925	24	109.0008	0.856	24	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NP)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NP)(H)2	H(CCCH)	108.9900	0.044	2	108.9900	0.002	2	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NH)(H)2	H(CCCH)	109.4020	0.024	2	109.4020	0.001	2	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	108.9553	0.176	4	108.9553	0.031	4	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	109.3950	0.131	4	109.3950	0.017	4	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NC)(H)2	H(CCCH)	108.9994	0.883	82	108.9994	0.779	82	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NH)(H)2	H(CCCH)	108.6955	0.036	2	108.6955	0.001	2	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NN)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NN)(H)2	H(CCCH)	109.1107	0.045	3	109.1107	0.002	3	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	108.3332	1.303	6	108.3332	1.699	6	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NN)(H)2	H(CCCH)	109.1010	0.000	1	109.1010	0.000	1	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NC)(H)2	H(CCCH)	109.0296	0.190	5	109.0296	0.036	5	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NH)(H)2	H(CCCH)	110.4150	1.848	2	110.4150	3.416	2	108.8437	1.958	297	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CB[5]CH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CB[5]CH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.0890	0.291	4	109.0890	0.085	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CBrHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CBrHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.4100	0.018	2	108.4100	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.4658	0.562	13	108.4658	0.316	13	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.5272	0.297	16	108.5272	0.088	16	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CCCN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	107.8230	0.048	2	107.8230	0.002	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCFH)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CCFH)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.6355	0.032	2	108.6355	0.001	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OAl)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OAl)(H)2	H(CCCH)	108.4084	0.307	5	108.4084	0.094	5	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OB)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OB)(H)2	H(CCCH)	108.8656	0.336	19	108.8656	0.113	19	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.8748	0.844	478	108.8748	0.713	478	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OFe)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OFe)(H)2	H(CCCH)	105.9137	3.102	4	105.9137	9.625	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OGe)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OGe)(H)2	H(CCCH)	108.9980	0.011	2	108.9980	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.5437	1.461	227	108.5437	2.134	227	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OIr)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OIr)(H)2	H(CCCH)	113.6650	0.273	2	113.6650	0.074	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	H(CCCH)	109.0283	0.346	38	109.0283	0.120	38	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OO)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OO)(H)2	H(CCCH)	109.0550	0.105	6	109.0550	0.011	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	108.7249	0.592	73	108.7249	0.351	73	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(ORe)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(ORe)(H)2	H(CCCH)	109.5970	0.007	2	109.5970	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	107.8732	1.783	11	107.8732	3.178	11	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	108.7336	0.826	16	108.7336	0.682	16	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OSm)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OSm)(H)2	H(CCCH)	108.8680	0.049	4	108.8680	0.002	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OTi)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OTi)(H)2	H(CCCH)	105.2355	0.105	2	105.2355	0.011	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OZr)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OZr)(H)2	H(CCCH)	108.7630	0.030	2	108.7630	0.001	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHI)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CCHI)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	107.5507	0.551	6	107.5507	0.303	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.4312	0.018	4	108.4312	0.000	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.7933	0.465	14	108.7933	0.216	14	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	109.1580	0.020	2	109.1580	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.6125	0.506	19	108.6125	0.256	19	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.5727	0.455	13	108.5727	0.207	13	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.1457	0.212	6	108.1457	0.045	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHP)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CCHP)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.0800	0.049	4	109.0800	0.002	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[3x6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[3x6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.1713	0.145	4	109.1713	0.021	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[4]HH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	C(CC[4]HH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	108.8555	0.013	2	108.8555	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.2528	0.511	6	109.2528	0.261	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.1290	0.006	2	109.1290	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	108.8768	0.265	8	108.8768	0.070	8	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]CH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5]CH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.6852	0.227	6	108.6852	0.052	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.7911	0.604	12	108.7911	0.365	12	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.9655	0.370	15	108.9655	0.137	15	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	H(CCCH)	108.1975	2.488	2	108.1975	6.192	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[5]HO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.0505	0.037	2	109.0505	0.001	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HO)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5]HO)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.5230	0.049	2	108.5230	0.002	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HO)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CC[5]HO)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.5030	0.000	1	108.5030	0.000	1	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]CC)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5a]CC)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.0765	0.005	2	108.0765	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5a]C[6a]H)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.2065	0.033	2	109.2065	0.001	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.8878	0.783	18	108.8878	0.613	18	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.8519	0.350	27	108.8519	0.122	27	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]HP)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[5a]HP)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.0175	0.022	2	109.0175	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.8290	0.742	22	108.8290	0.551	22	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.5839	1.478	8	109.5839	2.186	8	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	108.8570	0.000	1	108.8570	0.000	1	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(ORu)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(ORu)(H)2	H(CCCH)	108.5925	0.025	2	108.5925	0.001	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]2C)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6a]2C)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.2075	0.013	2	109.2075	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]2H)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6a]2H)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.7730	0.004	2	108.7730	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.8582	0.889	25	108.8582	0.790	25	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.0106	0.261	10	109.0106	0.068	10	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CC[6a]CH)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.8985	0.022	2	108.8985	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]CO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6a]CO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.4265	0.270	4	108.4265	0.073	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]C[5]H)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6a]C[5]H)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.5280	0.387	2	108.5280	0.150	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]C[5]H)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CC[6a]C[5]H)(CHHO)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.9935	0.013	2	108.9935	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.7512	0.450	17	108.7512	0.203	17	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.8992	0.352	8	108.8992	0.124	8	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CC[6a]HH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	108.7125	0.016	2	108.7125	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6a]HN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.8698	0.195	5	108.8698	0.038	5	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CC[6a]HO)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.0422	0.147	5	109.0422	0.021	5	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HP)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6a]HP)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.9850	0.106	2	108.9850	0.011	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HS)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CC[6a]HS)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.1910	0.027	2	109.1910	0.001	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCoHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	H(CCCH)	C(CCoHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	H(CCCH)	108.2063	0.056	6	108.2063	0.003	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.0084	0.367	68	109.0084	0.134	68	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.9671	1.285	73	108.9671	1.651	73	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	109.2050	0.021	2	109.2050	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OZn)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OZn)(H)2	H(CCCH)	108.3405	0.016	2	108.3405	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CC3)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CC3)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.2110	0.076	2	109.2110	0.006	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.7995	1.757	113	108.7995	3.086	113	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OFe)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OFe)(H)2	H(CCCH)	103.6285	6.200	4	103.6285	38.437	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.1259	1.106	66	109.1259	1.223	66	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(ON)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(ON)(H)2	H(CCCH)	107.6875	1.071	4	107.6875	1.148	4	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	108.7358	2.882	13	108.7358	8.307	13	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(ORe)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(ORe)(H)2	H(CCCH)	107.8190	0.045	2	107.8190	0.002	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.9355	0.021	2	108.9355	0.000	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHHP)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CHHP)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.0423	1.130	38	109.0423	1.277	38	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHHP)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CHHP)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.1187	0.296	7	109.1187	0.088	7	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHHS)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CHHS)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	107.0485	0.801	2	107.0485	0.642	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHHS)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)(CHHS)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	107.8455	0.415	2	107.8455	0.172	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHHS)(H)2	C(CCHH)(OMo)(H)2	H(CCCH)	C(CHHO)(CHHS)(H)2	C(CCHH)(OMo)(H)2	H(CCCH)	108.8705	0.023	2	108.8705	0.001	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)2(H)2	C(CCHH)(OC)(H)2	H(CCCH)	108.7679	0.371	43	108.7679	0.138	43	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CHHO)2(H)2	C(CCHH)(OH)(H)2	H(CCCH)	106.7975	7.707	18	106.7975	59.400	18	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(CCHH)(ON)(H)2	H(CCCH)	C(CHHO)2(H)2	C(CCHH)(ON)(H)2	H(CCCH)	108.8444	0.247	31	108.8444	0.061	31	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CHHO)2(H)2	C(CCHH)(OP)(H)2	H(CCCH)	108.9491	0.559	13	108.9491	0.312	13	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(CCHH)(OS)(H)2	H(CCCH)	C(CHHO)2(H)2	C(CCHH)(OS)(H)2	H(CCCH)	108.6195	0.111	6	108.6195	0.012	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.2332	0.328	10	109.2332	0.108	10	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.1582	0.426	11	109.1582	0.182	11	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.3323	0.258	8	109.3323	0.067	8	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.0481	0.206	8	109.0481	0.043	8	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	109.2512	0.661	8	109.2512	0.437	8	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CN[6a]HH)(CHHO)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.7710	0.000	1	109.7710	0.000	1	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	C(CN[6a]HH)(CHHO)(H)2	C(CCHH)(OH)(H)2	H(CCCH)	108.9103	0.430	6	108.9103	0.185	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CSeHH)(CHHO)(H)2	C(CCHH)(OMo)(H)2	H(CCCH)	C(CSeHH)(CHHO)(H)2	C(CCHH)(OMo)(H)2	H(CCCH)	108.9430	0.041	2	108.9430	0.002	2	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CSiHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	C(CSiHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	H(CCCH)	109.1373	0.273	6	109.1373	0.075	6	108.7813	1.801	1813	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CAsHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CAsHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.2380	0.076	2	109.2380	0.006	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CAsHH)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CAsHH)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	109.6900	0.065	2	109.6900	0.004	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCCH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CCCH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.2570	0.838	4	108.2570	0.703	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCFF)(CHHS)(H)2	C(CCHH)(SSn)(H)2	H(CCCH)	C(CCFF)(CHHS)(H)2	C(CCHH)(SSn)(H)2	H(CCCH)	109.4437	0.117	4	109.4437	0.014	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.8876	0.594	115	108.8876	0.353	115	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	108.5480	0.000	1	108.5480	0.000	1	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SP)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SP)(H)2	H(CCCH)	109.0708	0.465	6	109.0708	0.216	6	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	108.9700	0.178	7	108.9700	0.032	7	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.9298	0.552	112	108.9298	0.304	112	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	108.4344	0.357	22	108.4344	0.127	22	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHO)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CCHO)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	110.5005	1.177	4	110.5005	1.386	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CC[6a]HN)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.7120	0.200	3	108.7120	0.040	3	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.1109	0.391	40	109.1109	0.153	40	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SNi)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SNi)(H)2	H(CCCH)	108.9163	0.139	4	108.9163	0.019	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	109.2355	0.127	8	109.2355	0.016	8	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHO)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHO)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	110.6690	0.789	2	110.6690	0.623	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	108.9200	0.000	1	108.9200	0.000	1	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	109.1875	0.049	2	109.1875	0.002	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CF3)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CHHS)(CF3)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	109.1730	0.013	2	109.1730	0.000	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.9155	0.949	8	108.9155	0.900	8	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SN)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SN)(H)2	H(CCCH)	109.2455	0.018	2	109.2455	0.000	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.7719	0.733	140	108.7719	0.537	140	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SFe)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SFe)(H)2	H(CCCH)	108.3907	0.128	10	108.3907	0.017	10	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SMo)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SMo)(H)2	H(CCCH)	108.7450	0.011	3	108.7450	0.000	3	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SNi)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SNi)(H)2	H(CCCH)	108.9612	0.020	4	108.9612	0.000	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SP)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SP)(H)2	H(CCCH)	110.2830	0.004	2	110.2830	0.000	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SRe)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SRe)(H)2	H(CCCH)	108.9087	0.112	4	108.9087	0.013	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SV)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SV)(H)2	H(CCCH)	108.8631	0.218	14	108.8631	0.047	14	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]CH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CN[5]CH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.0697	0.206	6	109.0697	0.042	6	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.1962	0.171	6	109.1962	0.029	6	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	108.9435	0.050	2	108.9435	0.003	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SS)(H)2	H(CCCH)	109.1287	0.358	6	109.1287	0.128	6	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CN[5a]HH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.6480	0.035	2	108.6480	0.001	2	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.8260	0.040	4	108.8260	0.002	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CSiHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	108.8398	0.043	4	108.8398	0.002	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	C(CSiHH)(CHHS)(H)2	C(CCHH)(SH)(H)2	H(CCCH)	109.0060	0.394	15	109.0060	0.155	15	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CTeHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	C(CTeHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	H(CCCH)	109.2643	0.122	4	109.2643	0.015	4	108.9043	0.375	577	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	108.0418	2.284	12	108.0418	5.217	12	108.6807	0.937	114	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeMg)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeMg)(H)2	H(CCCH)	108.4390	0.000	1	108.4390	0.000	1	108.6807	0.937	114	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeP)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeP)(H)2	H(CCCH)	109.0954	0.359	10	109.0954	0.129	10	108.6807	0.937	114	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(CCHN)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	C(CSeHH)(CCHN)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	107.8085	0.856	4	107.8085	0.732	4	108.6807	0.937	114	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(CHHS)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	C(CSeHH)(CHHS)(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	108.7968	0.053	4	108.7968	0.003	4	108.6807	0.937	114	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(CCHH)(SeC)(H)2	H(CCCH)	108.7379	0.659	79	108.7379	0.434	79	108.6807	0.937	114	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(CCHH)(SeP)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(CCHH)(SeP)(H)2	H(CCCH)	109.2460	0.051	4	109.2460	0.003	4	108.6807	0.937	114	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(CCHI)(OH)(H)2	H(CCCI)	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(CCHI)(OH)(H)2	H(CCCI)	109.0600	0.000	1	109.0600	0.000	1	108.2215	1.406	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[4]HH)(CHHO)(H)(I)	C(CCHI)(OC)(H)2	H(CCCI)	C(CN[4]HH)(CHHO)(H)(I)	C(CCHI)(OC)(H)2	H(CCCI)	107.3830	0.000	1	107.3830	0.000	1	108.2215	1.406	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:N-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)(N)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CH3)(H)(N)	C(CCHN)(OH)(H)2	H(CCCN)	108.9291	0.911	7	108.9291	0.830	7	108.9291	0.830	7	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:O-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(H)(O)	C(CCHO)(OC)(H)2	H(CCCO)	C(CHHO)2(H)(O)	C(CCHO)(OC)(H)2	H(CCCO)	107.7220	0.854	2	107.7220	0.730	2	107.7220	0.730	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	108.2985	0.015	2	108.2985	0.000	2	109.1115	0.635	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	108.8933	0.095	6	108.8933	0.009	6	109.1115	0.635	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CC)(H)2	H(CCHN)	110.3925	1.405	2	110.3925	1.974	2	109.1115	0.635	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	109.2980	0.052	2	109.2980	0.003	2	109.1115	0.635	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	108.5920	0.562	15	108.5920	0.316	15	109.4283	2.010	49	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.6266	0.960	22	109.6266	0.922	22	109.4283	2.010	49	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	109.5327	0.031	4	109.5327	0.001	4	109.4283	2.010	49	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NH)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NH)(H)2	H(CCHN)	111.5708	3.666	4	111.5708	13.438	4	109.4283	2.010	49	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	108.6515	0.715	2	108.6515	0.511	2	109.4283	2.010	49	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NP)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NP)(H)2	H(CCHN)	109.8025	0.774	2	109.8025	0.600	2	109.4283	2.010	49	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NC3)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.2851	1.177	18	109.2851	1.386	18	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NC3)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.6370	1.187	66	108.6370	1.410	66	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	C(CHHO)(NC3)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	108.6900	3.414	10	108.6900	11.657	10	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OS)(H)2	H(CCHN)	C(CHHO)(NC3)(H)2	C(CHHN)(OS)(H)2	H(CCHN)	108.7620	0.004	2	108.7620	0.000	2	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NCCH)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.0967	0.464	150	109.0967	0.215	150	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NCCH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.1677	0.649	98	109.1677	0.421	98	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCCH)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	C(CHHO)(NCCH)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	107.6812	0.179	15	107.6812	0.032	15	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCCO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NCCO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.2540	0.024	2	108.2540	0.001	2	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.4820	0.475	61	109.4820	0.226	61	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.4292	0.385	43	109.4292	0.148	43	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCHH)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	C(CHHO)(NCHH)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	109.4740	0.017	2	109.4740	0.000	2	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NH3)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(CHHO)(NH3)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.5120	0.375	40	109.5120	0.141	40	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NH3)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NH3)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.2725	0.441	79	109.2725	0.194	79	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NHHN)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(CHHO)(NHHN)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	111.1110	0.290	2	111.1110	0.084	2	109.1400	0.703	588	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NBCC)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NBCC)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.5297	0.056	3	108.5297	0.003	3	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NCCH)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.0015	0.227	15	109.0015	0.052	15	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCCH)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	C(CHHS)(NCCH)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	109.3153	0.269	6	109.3153	0.072	6	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCCV)(H)2	C(CHHN)(SV)(H)2	H(CCHN)	C(CHHS)(NCCV)(H)2	C(CHHN)(SV)(H)2	H(CCHN)	109.5612	1.188	24	109.5612	1.412	24	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NCHH)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NCHH)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.4356	0.148	17	109.4356	0.022	17	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	110.0790	1.991	4	110.0790	3.964	4	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	109.9017	0.696	4	109.9017	0.485	4	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	112.3340	8.586	2	112.3340	73.714	2	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	109.3460	0.294	36	109.3460	0.086	36	109.4363	1.358	111	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(NMnCH)(H)2	C(CHHN)(SeC)(H)2	H(CCHN)	C(CSeHH)(NMnCH)(H)2	C(CHHN)(SeC)(H)2	H(CCHN)	108.5595	0.029	2	108.5595	0.001	2	108.9270	0.156	6	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(NPdCC)(H)2	C(CHHN)(SePd)(H)2	H(CCHN)	C(CSeHH)(NPdCC)(H)2	C(CHHN)(SePd)(H)2	H(CCHN)	109.4145	0.070	2	109.4145	0.005	2	108.9270	0.156	6	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(NPtCC)(H)2	C(CHHN)(SePt)(H)2	H(CCHN)	C(CSeHH)(NPtCC)(H)2	C(CHHN)(SePt)(H)2	H(CCHN)	108.8070	0.018	2	108.8070	0.000	2	108.9270	0.156	6	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:O-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(ONi3)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	C(CHHO)(ONi3)(H)2	C(CHHO)(ON)(H)2	H(CCHO)	108.6857	0.502	4	108.6857	0.252	4	108.6857	0.252	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(PC3)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	C(CCHH)(PC3)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	108.6273	0.382	6	108.6273	0.146	6	108.9876	1.913	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(PCCO)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	C(CCHH)(PCCO)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	110.2375	3.326	2	110.2375	11.059	2	108.9876	1.913	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(PFe3)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	C(CCHH)(PFe3)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	108.9030	1.333	4	108.9030	1.776	4	108.9876	1.913	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(PBCC)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(CHHO)(PBCC)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	108.7499	0.254	8	108.7499	0.064	8	108.4749	1.359	16	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(PC3)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(CHHO)(PC3)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	108.4225	2.403	4	108.4225	5.773	4	108.4749	1.359	16	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(PC3)(H)2	C(CHHP)(OH)(H)2	H(CCHP)	C(CHHO)(PC3)(H)2	C(CHHP)(OH)(H)2	H(CCHP)	107.9772	0.580	4	107.9772	0.336	4	108.4749	1.359	16	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(PCCO)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	C(CHHS)(PCCO)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	108.6880	0.091	2	108.6880	0.008	2	109.7327	0.488	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(PCCW)(H)2	C(CHHP)(SW)(H)2	H(CCHP)	C(CHHS)(PCCW)(H)2	C(CHHP)(SW)(H)2	H(CCHP)	109.9068	0.587	12	109.9068	0.345	12	109.7327	0.488	14	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SCOO)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	C(CHHO)(SCOO)(H)2	C(CHHS)(OH)(H)2	H(CCHS)	108.4975	0.198	4	108.4975	0.039	4	108.4975	0.039	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CN)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(CN)(H)2	H(CSiCH)	108.5324	0.322	8	108.5324	0.104	8	108.5324	0.104	8	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC)(H)2	H(CSiCH)	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC)(H)2	H(CSiCH)	108.4803	0.358	19	108.4803	0.128	19	108.4086	0.120	28	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[5])(H)2	H(CSiCH)	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[5])(H)2	H(CSiCH)	108.4950	0.015	4	108.4950	0.000	4	108.4086	0.120	28	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[6])(H)2	H(CSiCH)	C(CHHO)(SiC3)(H)2	C(CSiHH)(OC[6])(H)2	H(CSiCH)	108.0672	0.230	5	108.0672	0.053	5	108.4086	0.120	28	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(SiC3)(H)2	C(CSiHH)(SP)(H)2	H(CSiCH)	C(CHHS)(SiC3)(H)2	C(CSiHH)(SP)(H)2	H(CSiCH)	108.3840	0.211	2	108.3840	0.044	2	108.3840	0.044	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	C(CC[3,5]HH)(OS)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHHO)(H)2	C(CC[3,5]HH)(OS)(H)2	H(CC[3,5]CH)	109.0555	0.015	2	109.0555	0.000	2	109.0555	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	C(CC[3,6]HH)(OS)(H)2	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]C[6])(CHHO)(H)2	C(CC[3,6]HH)(OS)(H)2	H(CC[3,6]CH)	108.6338	0.050	4	108.6338	0.003	4	108.6338	0.003	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	C(CC[3]HH)(CN)(H)2	H(CC[3]CH)	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	C(CC[3]HH)(CN)(H)2	H(CC[3]CH)	108.6750	0.017	2	108.6750	0.000	2	108.6750	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CHHO)(H)2	C(CC[3]HH)(OS)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CHHO)(H)2	C(CC[3]HH)(OS)(H)2	H(CC[3]CH)	106.9625	1.614	2	106.9625	2.606	2	107.7646	10.025	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CHHO)(H)2	C(CC[3]HH)(OC)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CHHO)(H)2	C(CC[3]HH)(OC)(H)2	H(CC[3]CH)	107.3171	4.331	10	107.3171	18.761	10	107.7646	10.025	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CHHO)(H)2	C(CC[3]HH)(OS)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CHHO)(H)2	C(CC[3]HH)(OS)(H)2	H(CC[3]CH)	108.2485	0.030	2	108.2485	0.001	2	107.7646	10.025	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	C(CC[3]HH)(OC)(H)2	H(CC[3]CH)	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	C(CC[3]HH)(OC)(H)2	H(CC[3]CH)	108.7870	0.037	5	108.7870	0.001	5	107.7646	10.025	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	C(CC[3x5,6]HH)(OH)(H)2	H(CC[3x5,6]CH)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	C(CC[3x5,6]HH)(OH)(H)2	H(CC[3x5,6]CH)	109.1167	0.148	4	109.1167	0.022	4	109.1167	0.022	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C(CC[3x6]HH)(OC)(H)2	H(CC[3x6]CH)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C(CC[3x6]HH)(OC)(H)2	H(CC[3x6]CH)	108.1985	0.040	2	108.1985	0.002	2	107.6857	0.351	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C(CC[3x6]HH)(OH)(H)2	H(CC[3x6]CH)	C(C[3x6]C[3x6]C[6,6]2)(CHHO)(H)2	C(CC[3x6]HH)(OH)(H)2	H(CC[3x6]CH)	107.1730	0.020	2	107.1730	0.000	2	107.6857	0.351	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	C(CC[4,5]HH)(OH)(H)2	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4]C[5])(CHHO)(H)2	C(CC[4,5]HH)(OH)(H)2	H(CC[4,5]CH)	108.4120	0.007	2	108.4120	0.000	2	108.4120	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	C(CC[5,5,6]HH)(OC)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	C(CC[5,5,6]HH)(OC)(H)2	H(CC[5,5,6]CH)	108.7540	0.037	2	108.7540	0.001	2	108.7540	0.001	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	C(CC[5,5]HH)(CN)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	C(CC[5,5]HH)(CN)(H)2	H(CC[5,5]CH)	109.1560	0.010	2	109.1560	0.000	2	109.1560	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C(CC[5,5]HH)(OC[6])(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C(CC[5,5]HH)(OC[6])(H)2	H(CC[5,5]CH)	108.0187	0.012	3	108.0187	0.000	3	108.1561	0.020	7	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C(CC[5,5]HH)(OS)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C(CC[5,5]HH)(OS)(H)2	H(CC[5,5]CH)	108.1885	0.011	2	108.1885	0.000	2	108.1561	0.020	7	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C(CC[5,5]HH)(OH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C(CC[5,5]HH)(OH)(H)2	H(CC[5,5]CH)	108.3300	0.007	2	108.3300	0.000	2	108.1561	0.020	7	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NN)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NN)(H)2	H(CC[5,6]CH)	108.2690	0.030	2	108.2690	0.001	2	108.2690	0.001	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	C(CC[5,6]HH)(OC)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	C(CC[5,6]HH)(OC)(H)2	H(CC[5,6]CH)	109.7080	0.107	2	109.7080	0.012	2	108.8690	0.671	6	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CHHO)(H)2	C(CC[5,6]HH)(OC)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]2H)(CHHO)(H)2	C(CC[5,6]HH)(OC)(H)2	H(CC[5,6]CH)	108.9960	0.021	2	108.9960	0.000	2	108.8690	0.671	6	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	C(CC[5,6]HH)(OH)(H)2	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	C(CC[5,6]HH)(OH)(H)2	H(CC[5,6]CH)	107.9030	0.185	2	107.9030	0.034	2	108.8690	0.671	6	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	C(CC[5]BrH)(OC)(H)2	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	C(CC[5]BrH)(OC)(H)2	H(CC[5]BrC)	108.9770	0.000	1	108.9770	0.000	1	108.9770	0.000	1	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(Cl)(H)	C(CC[5]ClH)(OC)(H)2	H(CC[5]ClC)	C(C[5]C[5]2H)(CHHO)(Cl)(H)	C(CC[5]ClH)(OC)(H)2	H(CC[5]ClC)	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	108.6444	0.394	8	108.6444	0.155	8	108.7662	0.147	20	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	108.8072	0.221	4	108.8072	0.049	4	108.7662	0.147	20	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	109.0417	0.429	3	109.0417	0.184	3	108.7662	0.147	20	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	108.6250	0.055	2	108.6250	0.003	2	108.7662	0.147	20	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	109.2140	0.020	2	109.2140	0.000	2	108.7662	0.147	20	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CN)(H)2	H(CC[5]CH)	108.1370	0.000	1	108.1370	0.000	1	108.7662	0.147	20	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C(CC[5]HH)(NN)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C(CC[5]HH)(NN)(H)2	H(CC[5]CH)	108.8295	0.019	2	108.8295	0.000	2	109.2515	0.238	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C(CC[5]HH)(NS)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C(CC[5]HH)(NS)(H)2	H(CC[5]CH)	109.6735	0.049	2	109.6735	0.002	2	109.2515	0.238	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	109.0675	0.120	4	109.0675	0.014	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.6965	0.011	2	108.6965	0.000	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.2215	0.021	2	108.2215	0.000	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	108.4028	0.218	6	108.4028	0.048	6	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	108.8890	0.038	2	108.8890	0.001	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.9115	0.018	2	108.9115	0.000	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	109.0798	0.039	4	109.0798	0.002	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	108.6737	0.089	4	108.6737	0.008	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHO)(H)2	C(CC[5]HH)(OS)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHO)(H)2	C(CC[5]HH)(OS)(H)2	H(CC[5]CH)	108.3935	0.012	2	108.3935	0.000	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	107.6805	0.706	2	107.6805	0.499	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	106.8910	0.934	4	106.8910	0.873	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	109.7005	0.342	2	109.7005	0.117	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	107.5970	1.693	5	107.5970	2.867	5	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2Co)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Co)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.5263	0.410	12	108.5263	0.168	12	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.9775	0.380	13	108.9775	0.144	13	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	107.7220	1.582	4	107.7220	2.503	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	109.1983	0.408	6	109.1983	0.166	6	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2Mo)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	109.5800	2.244	2	109.5800	5.037	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	107.9175	0.008	2	107.9175	0.000	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	109.3667	0.123	4	109.3667	0.015	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ru)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	109.6252	0.080	6	109.6252	0.006	6	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2Ti)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ti)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	109.3550	0.000	1	109.3550	0.000	1	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Zr)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	109.1400	0.000	1	109.1400	0.000	1	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.8800	0.000	1	108.8800	0.000	1	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHO)(H)2	C(CC[5]HH)(OSi)(H)2	H(CC[5]CH)	108.9361	0.142	16	108.9361	0.020	16	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.7300	0.552	4	108.7300	0.304	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	108.7770	0.017	2	108.7770	0.000	2	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	109.4670	0.811	12	109.4670	0.657	12	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OH)(H)2	H(CC[5]CH)	109.2357	0.493	3	109.2357	0.243	3	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OS)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C(CC[5]HH)(OS)(H)2	H(CC[5]CH)	108.5687	0.030	4	108.5687	0.001	4	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	C(CC[5]HH)(OC)(H)2	H(CC[5]CH)	108.3740	0.000	1	108.3740	0.000	1	108.7877	0.684	135	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-2:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PAg)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PAg)(H)2	H(CC[5]CH)	109.3187	0.144	4	109.3187	0.021	4	109.1653	0.085	8	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-2:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CHHP)(H)2	C(CC[5]HH)(PC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ru)(CHHP)(H)2	C(CC[5]HH)(PC)(H)2	H(CC[5]CH)	109.0118	0.340	4	109.0118	0.115	4	109.1653	0.085	8	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	C(CC[5]HH)(SC)(H)2	H(CC[5]CH)	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	C(CC[5]HH)(SC)(H)2	H(CC[5]CH)	108.7080	0.000	1	108.7080	0.000	1	108.8888	0.268	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHS)(H)2	C(CC[5]HH)(SS)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHS)(H)2	C(CC[5]HH)(SS)(H)2	H(CC[5]CH)	109.3185	0.039	4	109.3185	0.001	4	108.8888	0.268	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CHHS)(H)2	C(CC[5]HH)(SC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CHHS)(H)2	C(CC[5]HH)(SC)(H)2	H(CC[5]CH)	108.6975	0.006	2	108.6975	0.000	2	108.8888	0.268	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CHHS)(H)2	C(CC[5]HH)(SC[6a])(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CHHS)(H)2	C(CC[5]HH)(SC[6a])(H)2	H(CC[5]CH)	109.6980	1.181	2	109.6980	1.394	2	108.8888	0.268	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHS)(H)2	C(CC[5]HH)(SC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHS)(H)2	C(CC[5]HH)(SC)(H)2	H(CC[5]CH)	108.6754	0.352	13	108.6754	0.124	13	108.8888	0.268	22	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CC[6,6]HH)(CN)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CC[6,6]HH)(CN)(H)2	H(CC[6,6]CH)	108.5820	0.018	2	108.5820	0.000	2	108.5820	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	108.9265	0.042	2	108.9265	0.002	2	108.1285	0.504	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C(CC[6,6]HH)(OH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[6]2)(CHHO)(H)2	C(CC[6,6]HH)(OH)(H)2	H(CC[6,6]CH)	108.2340	0.472	8	108.2340	0.223	8	108.1285	0.504	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]2C[5])(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	107.6140	1.034	2	107.6140	1.069	2	108.1285	0.504	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6,6]C[6,6]2H)(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	108.7380	0.816	2	108.7380	0.666	2	108.1285	0.504	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	C(CC[6,6]HH)(OH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CHHO)(H)2	C(CC[6,6]HH)(OH)(H)2	H(CC[6,6]CH)	106.8880	0.075	2	106.8880	0.006	2	108.1285	0.504	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	C(CC[6,6]HH)(OH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHO)(H)2	C(CC[6,6]HH)(OH)(H)2	H(CC[6,6]CH)	107.8860	0.000	1	107.8860	0.000	1	108.1285	0.504	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6,6]N[3x6]2H)(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	C(C[6,6]N[3x6]2H)(CHHO)(H)2	C(CC[6,6]HH)(OC)(H)2	H(CC[6,6]CH)	108.1755	0.015	2	108.1755	0.000	2	108.1285	0.504	19	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	109.1600	0.055	2	109.1600	0.003	2	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	108.2210	0.341	4	108.2210	0.117	4	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	110.5180	0.174	2	110.5180	0.030	2	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CC)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CC)(H)2	H(CC[6]CH)	108.7391	0.170	7	108.7391	0.029	7	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	108.0455	0.015	2	108.0455	0.000	2	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	108.9840	0.000	1	108.9840	0.000	1	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	108.3905	2.416	2	108.3905	5.838	2	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	108.3220	0.205	4	108.3220	0.042	4	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	108.4476	1.002	8	108.4476	1.005	8	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	108.5875	0.015	2	108.5875	0.000	2	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CN)(H)2	H(CC[6]CH)	107.3280	1.089	2	107.3280	1.186	2	108.5547	0.798	36	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6,6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	108.5185	0.005	2	108.5185	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	108.4940	0.000	1	108.4940	0.000	1	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6a]C[6])(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	107.8510	0.030	2	107.8510	0.001	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OS)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OS)(H)2	H(CC[6]CH)	108.8455	0.012	2	108.8455	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	107.0262	0.289	6	107.0262	0.083	6	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	108.7679	0.452	7	108.7679	0.204	7	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	108.4800	0.017	2	108.4800	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	108.9440	3.454	2	108.9440	11.927	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	108.8420	0.014	2	108.8420	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	108.7050	0.000	1	108.7050	0.000	1	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	109.1175	0.082	8	109.1175	0.007	8	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	108.5988	1.167	26	108.5988	1.362	26	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6]2Cr)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	104.7960	0.379	2	104.7960	0.144	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	108.2035	0.843	8	108.2035	0.710	8	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OC[6])(H)2	H(CC[6]CH)	108.9190	0.008	2	108.9190	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	108.6336	0.328	12	108.6336	0.107	12	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OP)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OP)(H)2	H(CC[6]CH)	108.6625	0.096	4	108.6625	0.009	4	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OS)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHO)(H)2	C(CC[6]HH)(OS)(H)2	H(CC[6]CH)	108.6780	0.006	2	108.6780	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	109.2595	0.026	2	109.2595	0.001	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CHHO)(H)2	C(CC[6]HH)(OP)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHO)(H)2	C(CC[6]HH)(OP)(H)2	H(CC[6]CH)	108.7390	0.004	2	108.7390	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CHHO)(H)2	C(CC[6]HH)(OC[6a])(H)2	H(CC[6]CH)	107.1085	0.390	2	107.1085	0.152	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	108.9017	0.321	3	108.9017	0.103	3	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	107.0695	1.387	4	107.0695	1.925	4	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(CC[6]HH)(OS)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(CC[6]HH)(OS)(H)2	H(CC[6]CH)	108.3650	0.000	2	108.3650	0.000	2	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHO)(H)2	C(CC[6]HH)(OC)(H)2	H(CC[6]CH)	109.0373	0.277	15	109.0373	0.077	15	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHO)(H)2	C(CC[6]HH)(OH)(H)2	H(CC[6]CH)	108.8978	0.127	4	108.8978	0.016	4	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHO)(H)2	C(CC[6]HH)(OSi)(H)2	H(CC[6]CH)	108.7620	0.100	3	108.7620	0.010	3	108.5018	1.006	128	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CHHS)(H)2	C(CC[6]HH)(SC)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CHHS)(H)2	C(CC[6]HH)(SC)(H)2	H(CC[6]CH)	108.5972	0.313	5	108.5972	0.098	5	108.8151	0.135	9	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CHHS)(H)2	C(CC[6]HH)(SC)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CHHS)(H)2	C(CC[6]HH)(SC)(H)2	H(CC[6]CH)	108.8930	0.052	2	108.8930	0.003	2	108.8151	0.135	9	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[6]N[6]O[6]H)(CHHS)(H)2	C(CC[6]HH)(SC)(H)2	H(CC[6]CH)	C(C[6]N[6]O[6]H)(CHHS)(H)2	C(CC[6]HH)(SC)(H)2	H(CC[6]CH)	109.2820	0.033	2	109.2820	0.001	2	108.8151	0.135	9	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CSeHH)(H)2	C(CC[6]HH)(SeC)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CSeHH)(H)2	C(CC[6]HH)(SeC)(H)2	H(CC[6]CH)	109.2990	2.941	4	109.2990	8.648	4	109.2990	8.648	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(NCoCC)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	108.0225	0.340	6	108.0225	0.116	6	109.0576	9.425	27	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	108.4506	0.655	12	108.4506	0.429	12	109.0576	9.425	27	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)(CH)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)(CH)(H)2	H(CCHN)	119.1240	4.327	2	119.1240	18.727	2	109.0576	9.425	27	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	107.8538	0.137	5	107.8538	0.019	5	109.0576	9.425	27	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	C(NNiCH)(CCHH)(H)2	C(CHHN)(CN)(H)2	H(CCHN)	108.7475	0.057	2	108.7475	0.003	2	109.0576	9.425	27	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCo)(H)2	H(CCHN)	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCo)(H)2	H(CCHN)	110.1870	0.086	2	110.1870	0.007	2	109.0593	0.433	17	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	108.7930	0.000	1	108.7930	0.000	1	109.0593	0.433	17	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(CHHN)(NFe)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(CHHN)(NFe)(H)2	H(CCHN)	109.3473	0.071	4	109.3473	0.005	4	109.0593	0.433	17	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(H)2	C(CHHN)(NNi)(H)2	H(CCHN)	C(NNiHH)(CHHN)(H)2	C(CHHN)(NNi)(H)2	H(CCHN)	108.0140	0.231	2	108.0140	0.053	2	109.0593	0.433	17	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NOsCH)(CHHN)(H)2	C(CHHN)(NP)(H)2	H(CCHN)	C(NOsCH)(CHHN)(H)2	C(CHHN)(NP)(H)2	H(CCHN)	109.1822	0.022	4	109.1822	0.000	4	109.0593	0.433	17	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NReCC)(CHHN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	C(NReCC)(CHHN)(H)2	C(CHHN)(NN)(H)2	H(CCHN)	108.1575	0.011	2	108.1575	0.000	2	109.0593	0.433	17	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(CHHN)(NC)(H)2	H(CCHN)	109.1900	0.040	2	109.1900	0.002	2	109.0593	0.433	17	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NAlCC)(CHHO)(H)2	C(CHHN)(OAl)(H)2	H(CCHN)	C(NAlCC)(CHHO)(H)2	C(CHHN)(OAl)(H)2	H(CCHN)	110.1287	0.070	12	110.1287	0.005	12	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NAlCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NAlCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	107.8785	0.016	2	107.8785	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NAlCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NAlCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.1015	0.011	2	109.1015	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]CH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NC[6]CH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.9975	0.040	2	108.9975	0.002	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]HH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NC[6]HH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	109.0915	0.025	2	109.0915	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCo)(H)2	H(CCHN)	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCo)(H)2	H(CCHN)	109.7280	0.024	2	109.7280	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCoCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NCoCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.2352	0.313	11	108.2352	0.098	11	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCoCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NCoCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.7540	0.449	11	108.7540	0.202	11	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCrCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NCrCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.5134	0.150	10	108.5134	0.022	10	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCuCC)(CHHO)(H)2	C(CHHN)(OCu)(H)2	H(CCHN)	C(NCuCC)(CHHO)(H)2	C(CHHN)(OCu)(H)2	H(CCHN)	110.4970	0.058	6	110.4970	0.003	6	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCuCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NCuCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.7090	0.008	2	108.7090	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCuCH)(CHHO)(H)2	C(CHHN)(OCu)(H)2	H(CCHN)	C(NCuCH)(CHHO)(H)2	C(CHHN)(OCu)(H)2	H(CCHN)	109.6390	0.027	2	109.6390	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NEuCC)(CHHO)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	C(NEuCC)(CHHO)(H)2	C(CHHN)(OSi)(H)2	H(CCHN)	108.1695	0.037	2	108.1695	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.2308	1.346	19	108.2308	1.812	19	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFe)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFe)(H)2	H(CCHN)	109.6798	0.360	27	109.6798	0.130	27	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.3551	0.737	28	108.3551	0.543	28	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NIrCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NIrCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.3082	0.413	38	108.3082	0.171	38	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NLiCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NLiCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.7068	1.386	15	108.7068	1.922	15	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NMnCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NMnCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.2635	0.011	2	108.2635	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NMoCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NMoCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.2340	0.006	2	108.2340	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NMoCH)(CHHO)(H)2	C(CHHN)(OMo)(H)2	H(CCHN)	C(NMoCH)(CHHO)(H)2	C(CHHN)(OMo)(H)2	H(CCHN)	110.3655	0.032	2	110.3655	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NNiCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NNiCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.5996	0.586	8	108.5996	0.343	8	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NNiCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NNiCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	107.9235	0.498	20	107.9235	0.248	20	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONi)(H)2	H(CCHN)	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONi)(H)2	H(CCHN)	108.0840	0.873	2	108.0840	0.761	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NNiCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NNiCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.2870	0.011	2	108.2870	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NNiCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NNiCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.4928	0.511	8	108.4928	0.261	8	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONi)(H)2	H(CCHN)	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONi)(H)2	H(CCHN)	109.4840	0.033	2	109.4840	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NPdCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NPdCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	110.6085	0.267	2	110.6085	0.071	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NPdCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NPdCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.0600	0.017	2	109.0600	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NPdCC)(CHHO)(H)2	C(CHHN)(OPd)(H)2	H(CCHN)	C(NPdCC)(CHHO)(H)2	C(CHHN)(OPd)(H)2	H(CCHN)	109.8435	0.077	2	109.8435	0.006	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NPdCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NPdCH)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.9165	0.303	8	108.9165	0.092	8	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NPtHH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NPtHH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.8935	0.021	2	108.8935	0.000	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NReCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NReCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	107.9740	0.030	2	107.9740	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NReCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NReCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.3185	0.342	4	108.3185	0.117	4	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NReCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NReCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.7410	0.041	2	108.7410	0.002	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NRuCH)(CHHO)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	C(NRuCH)(CHHO)(H)2	C(CHHN)(OP)(H)2	H(CCHN)	108.8344	0.243	16	108.8344	0.059	16	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NSnCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NSnCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.7043	0.378	4	108.7043	0.143	4	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NSnCC)(CHHO)(H)2	C(CHHN)(OSn)(H)2	H(CCHN)	C(NSnCC)(CHHO)(H)2	C(CHHN)(OSn)(H)2	H(CCHN)	109.8034	0.178	10	109.8034	0.032	10	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NZnCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	C(NZnCC)(CHHO)(H)2	C(CHHN)(OC)(H)2	H(CCHN)	108.1090	0.321	6	108.1090	0.103	6	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NZnCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NZnCC)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	108.4245	0.025	2	108.4245	0.001	2	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZn)(H)2	H(CCHN)	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZn)(H)2	H(CCHN)	108.7704	0.470	8	108.7704	0.220	8	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NZnCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	C(NZnCH)(CHHO)(H)2	C(CHHN)(OH)(H)2	H(CCHN)	109.5006	0.256	9	109.5006	0.066	9	108.7751	0.774	320	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NAlCC)(CHHS)(H)2	C(CHHN)(SAl)(H)2	H(CCHN)	C(NAlCC)(CHHS)(H)2	C(CHHN)(SAl)(H)2	H(CCHN)	109.5422	0.165	4	109.5422	0.027	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[6]CV)(CHHS)(H)2	C(CHHN)(SV)(H)2	H(CCHN)	C(NC[6]CV)(CHHS)(H)2	C(CHHN)(SV)(H)2	H(CCHN)	109.7212	1.465	4	109.7212	2.145	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NC[6a]NiC)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	C(NC[6a]NiC)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	112.2945	1.204	2	112.2945	1.450	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NCoHH)(CHHS)(H)2	C(CHHN)(SCo)(H)2	H(CCHN)	C(NCoHH)(CHHS)(H)2	C(CHHN)(SCo)(H)2	H(CCHN)	110.0927	0.350	4	110.0927	0.123	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFe)(H)2	H(CCHN)	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFe)(H)2	H(CCHN)	110.6805	2.178	6	110.6805	4.746	6	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NFeHH)(CHHS)(H)2	C(CHHN)(SFe)(H)2	H(CCHN)	C(NFeHH)(CHHS)(H)2	C(CHHN)(SFe)(H)2	H(CCHN)	109.7570	0.038	2	109.7570	0.001	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NHgCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NHgCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	107.8750	0.097	4	107.8750	0.009	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NHgCH)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NHgCH)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.3830	0.008	2	108.3830	0.000	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NIrHH)(CHHS)(H)2	C(CHHN)(SIr)(H)2	H(CCHN)	C(NIrHH)(CHHS)(H)2	C(CHHN)(SIr)(H)2	H(CCHN)	109.5860	0.151	2	109.5860	0.023	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NMnCC)(CHHS)(H)2	C(CHHN)(SMn)(H)2	H(CCHN)	C(NMnCC)(CHHS)(H)2	C(CHHN)(SMn)(H)2	H(CCHN)	108.9915	0.359	2	108.9915	0.129	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NMoCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NMoCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.8110	0.000	1	108.8110	0.000	1	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NMoCC)(CHHS)(H)2	C(CHHN)(SMo)(H)2	H(CCHN)	C(NMoCC)(CHHS)(H)2	C(CHHN)(SMo)(H)2	H(CCHN)	110.4984	1.865	12	110.4984	3.477	12	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NMoCH)(CHHS)(H)2	C(CHHN)(SMo)(H)2	H(CCHN)	C(NMoCH)(CHHS)(H)2	C(CHHN)(SMo)(H)2	H(CCHN)	109.2237	0.526	6	109.2237	0.277	6	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NMoHH)(CHHS)(H)2	C(CHHN)(SMo)(H)2	H(CCHN)	C(NMoHH)(CHHS)(H)2	C(CHHN)(SMo)(H)2	H(CCHN)	109.8570	0.208	8	109.8570	0.043	8	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	108.4194	0.161	14	108.4194	0.026	14	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(CHHN)(SH)(H)2	H(CCHN)	107.8025	0.054	2	107.8025	0.003	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	109.5629	0.690	31	109.5629	0.477	31	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NNiCH)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NNiCH)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.1285	0.042	2	109.1285	0.002	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NNiCH)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	C(NNiCH)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	106.8685	0.873	2	106.8685	0.763	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NNiHH)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	C(NNiHH)(CHHS)(H)2	C(CHHN)(SNi)(H)2	H(CCHN)	110.2257	0.061	6	110.2257	0.004	6	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NPbCC)(CHHS)(H)2	C(CHHN)(SPb)(H)2	H(CCHN)	C(NPbCC)(CHHS)(H)2	C(CHHN)(SPb)(H)2	H(CCHN)	108.9193	0.093	4	108.9193	0.009	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NPbHH)(CHHS)(H)2	C(CHHN)(SPb)(H)2	H(CCHN)	C(NPbHH)(CHHS)(H)2	C(CHHN)(SPb)(H)2	H(CCHN)	109.3390	0.080	4	109.3390	0.006	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NPdCH)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NPdCH)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	109.1390	0.033	2	109.1390	0.001	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NPtCC)(CHHS)(H)2	C(CHHN)(SPt)(H)2	H(CCHN)	C(NPtCC)(CHHS)(H)2	C(CHHN)(SPt)(H)2	H(CCHN)	109.5315	0.028	2	109.5315	0.001	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NPtHH)(CHHS)(H)2	C(CHHN)(SPt)(H)2	H(CCHN)	C(NPtHH)(CHHS)(H)2	C(CHHN)(SPt)(H)2	H(CCHN)	109.5410	0.024	2	109.5410	0.001	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NReCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	C(NReCC)(CHHS)(H)2	C(CHHN)(SC)(H)2	H(CCHN)	107.8380	0.670	4	107.8380	0.448	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NReCC)(CHHS)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	C(NReCC)(CHHS)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	109.1353	1.699	26	109.1353	2.887	26	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NReCH)(CHHS)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	C(NReCH)(CHHS)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	109.5685	0.033	4	109.5685	0.001	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NReHH)(CHHS)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	C(NReHH)(CHHS)(H)2	C(CHHN)(SRe)(H)2	H(CCHN)	111.3238	2.175	4	111.3238	4.729	4	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NRhHH)(CHHS)(H)2	C(CHHN)(SRh)(H)2	H(CCHN)	C(NRhHH)(CHHS)(H)2	C(CHHN)(SRh)(H)2	H(CCHN)	108.8111	1.326	16	108.8111	1.759	16	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NTcCC)(CHHS)(H)2	C(CHHN)(STc)(H)2	H(CCHN)	C(NTcCC)(CHHS)(H)2	C(CHHN)(STc)(H)2	H(CCHN)	109.6133	0.208	3	109.6133	0.043	3	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NZnCC)(CHHS)(H)2	C(CHHN)(SZn)(H)2	H(CCHN)	C(NZnCC)(CHHS)(H)2	C(CHHN)(SZn)(H)2	H(CCHN)	108.8518	0.059	11	108.8518	0.004	11	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NZnHH)(CHHS)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	C(NZnHH)(CHHS)(H)2	C(CHHN)(SS)(H)2	H(CCHN)	109.1170	0.031	2	109.1170	0.001	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NZnHH)(CHHS)(H)2	C(CHHN)(SZn)(H)2	H(CCHN)	C(NZnHH)(CHHS)(H)2	C(CHHN)(SZn)(H)2	H(CCHN)	109.1755	0.019	2	109.1755	0.000	2	109.3513	1.654	202	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CHHO)(H)2	C(CN[3x6]HH)(OC)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CHHO)(H)2	C(CN[3x6]HH)(OC)(H)2	H(CN[3x6]CH)	107.6350	0.048	2	107.6350	0.002	2	107.6350	0.002	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	C(CN[5,5]HH)(OC)(H)2	H(CN[5,5]CH)	C(N[5,5]In[5,5]C[5]2)(CHHO)(H)2	C(CN[5,5]HH)(OC)(H)2	H(CN[5,5]CH)	108.7940	0.100	2	108.7940	0.010	2	108.7940	0.010	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2C)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	C(N[5]C[5]2C)(CHHO)(H)2	C(CN[5]HH)(OC[6a])(H)2	H(CN[5]CH)	109.2020	0.000	1	109.2020	0.000	1	108.9650	0.040	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CHHO)(H)2	C(CN[5]HH)(OH)(H)2	H(CN[5]CH)	108.9435	0.195	11	108.9435	0.038	11	108.9650	0.040	12	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	C(CN[6,6]HH)(OH)(H)2	H(CN[6,6]CH)	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	C(CN[6,6]HH)(OH)(H)2	H(CN[6,6]CH)	108.3150	0.004	2	108.3150	0.000	2	108.3150	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	108.2936	0.244	5	108.2936	0.060	5	109.0085	0.622	39	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	108.9436	0.355	8	108.9436	0.126	8	109.0085	0.622	39	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	H(CN[6]CH)	108.7037	0.842	4	108.7037	0.709	4	109.0085	0.622	39	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	H(CN[6]CH)	109.2809	0.941	19	109.2809	0.885	19	109.0085	0.622	39	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	H(CN[6]CH)	108.8130	0.000	1	108.8130	0.000	1	109.0085	0.622	39	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	H(CN[6]CH)	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	H(CN[6]CH)	109.1750	0.013	2	109.1750	0.000	2	109.0085	0.622	39	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(N[6]C[6]2Ni)(CHHS)(H)2	C(CN[6]HH)(SNi)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ni)(CHHS)(H)2	C(CN[6]HH)(SNi)(H)2	H(CN[6]CH)	109.9065	0.016	2	109.9065	0.000	2	109.9065	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(PC[5]HW)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	C(PC[5]HW)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	107.7380	0.024	2	107.7380	0.001	2	108.5141	0.417	24	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(PC[6a]RuC)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	C(PC[6a]RuC)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	107.6410	0.181	4	107.6410	0.033	4	108.5141	0.417	24	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(PCoCC)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	C(PCoCC)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	108.5297	0.087	6	108.5297	0.008	6	108.5141	0.417	24	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(PPdCC)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	C(PPdCC)(CCHH)(H)2	C(CHHP)(CN)(H)2	H(CCHP)	108.9268	0.537	12	108.9268	0.288	12	108.5141	0.417	24	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(PC[6a]2O)(CHHN)(H)2	C(CHHP)(NC)(H)2	H(CCHP)	C(PC[6a]2O)(CHHN)(H)2	C(CHHP)(NC)(H)2	H(CCHP)	109.8680	0.010	2	109.8680	0.000	2	109.8680	0.000	2	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHO)(H)2	C(CHHP)(OH)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHO)(H)2	C(CHHP)(OH)(H)2	H(CCHP)	109.5215	0.013	2	109.5215	0.000	2	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CHHO)(H)2	C(CHHP)(OP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CHHO)(H)2	C(CHHP)(OP)(H)2	H(CCHP)	109.6135	0.015	2	109.6135	0.000	2	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	108.6377	0.459	12	108.6377	0.211	12	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	107.8014	0.367	17	107.8014	0.135	17	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]BC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(PC[6a]BC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	108.2623	0.464	20	108.2623	0.215	20	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(PC[6a]PdC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	108.2638	1.138	12	108.2638	1.296	12	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]PtC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(PC[6a]PtC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	108.0678	0.335	4	108.0678	0.112	4	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PFeCC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(PFeCC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	107.7883	0.366	11	107.7883	0.134	11	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PPtCC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	C(PPtCC)(CHHO)(H)2	C(CHHP)(OC)(H)2	H(CCHP)	108.2045	0.148	4	108.2045	0.022	4	108.2109	0.471	84	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[5]Mo2)(CHHS)(H)2	C(CHHP)(SMo)(H)2	H(CCHP)	C(PC[5]Mo2)(CHHS)(H)2	C(CHHP)(SMo)(H)2	H(CCHP)	109.9830	0.096	2	109.9830	0.009	2	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]2Os)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	C(PC[6a]2Os)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	108.5996	0.527	13	108.5996	0.277	13	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	108.5768	0.310	4	108.5768	0.096	4	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(CHHP)(SPt)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(CHHP)(SPt)(H)2	H(CCHP)	110.0875	0.015	2	110.0875	0.000	2	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]2W)(CHHS)(H)2	C(CHHP)(SW)(H)2	H(CCHP)	C(PC[6a]2W)(CHHS)(H)2	C(CHHP)(SW)(H)2	H(CCHP)	110.4440	0.011	2	110.4440	0.000	2	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	110.6928	2.650	6	110.6928	7.021	6	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]CS)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	C(PC[6a]CS)(CHHS)(H)2	C(CHHP)(SC)(H)2	H(CCHP)	107.9193	0.158	4	107.9193	0.025	4	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]MoC)(CHHS)(H)2	C(CHHP)(SMo)(H)2	H(CCHP)	C(PC[6a]MoC)(CHHS)(H)2	C(CHHP)(SMo)(H)2	H(CCHP)	109.7322	0.280	6	109.7322	0.079	6	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHS)(H)2	C(CHHP)(SPd)(H)2	H(CCHP)	C(PC[6a]PdC)(CHHS)(H)2	C(CHHP)(SPd)(H)2	H(CCHP)	110.1570	0.381	4	110.1570	0.145	4	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(PC[6a]PtC)(CHHS)(H)2	C(CHHP)(SPt)(H)2	H(CCHP)	C(PC[6a]PtC)(CHHS)(H)2	C(CHHP)(SPt)(H)2	H(CCHP)	110.2993	0.542	3	110.2993	0.294	3	109.4105	1.761	46	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P[4]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(P[4]N[4]2N)(CCHH)(H)2	C(CP[4]HH)(CN)(H)2	H(CP[4]CH)	C(P[4]N[4]2N)(CCHH)(H)2	C(CP[4]HH)(CN)(H)2	H(CP[4]CH)	108.5397	0.187	4	108.5397	0.035	4	108.5397	0.035	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	C(CP[5]HH)(OH)(H)2	H(CP[5]CH)	C(P[5]C[5,6a]C[6a]C[5])(CHHO)(H)2	C(CP[5]HH)(OH)(H)2	H(CP[5]CH)	109.0387	0.140	4	109.0387	0.020	4	109.0387	0.020	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SC[6]OO)(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	C(SC[6]OO)(CHHO)(H)2	C(CHHS)(OC)(H)2	H(CCHS)	111.8070	0.591	4	111.8070	0.350	4	111.8070	0.350	4	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SiC[6a]CC)(CHHO)(H)2	C(CSiHH)(OC)(H)2	H(CSiCH)	C(SiC[6a]CC)(CHHO)(H)2	C(CSiHH)(OC)(H)2	H(CSiCH)	106.8116	3.998	6	106.8116	15.987	6	106.8116	15.987	6	108.8771	1.378	5369	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:C-2:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CC)(CN)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CC)(CN)(H)	H(CCCH)	109.0777	0.196	3	109.0777	0.038	3	108.8696	0.169	5	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:C-2:H-1:	C-4:	C(CC[6a]2H)(CCCH)(H)2	C(CCHH)(CN)2(H)	H(CCCH)	C(CC[6a]2H)(CCCH)(H)2	C(CCHH)(CN)2(H)	H(CCCH)	108.5575	0.523	2	108.5575	0.273	2	108.8696	0.169	5	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OC)(H)	H(CCCH)	108.8470	0.011	2	108.8470	0.000	2	108.8126	0.021	8	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OH)(H)	H(CCCH)	108.7025	0.076	4	108.7025	0.006	4	108.8126	0.021	8	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CCHH)(CN)(OS)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CCHH)(CN)(OS)(H)	H(CCCH)	108.9985	0.107	2	108.9985	0.011	2	108.8126	0.021	8	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CCCO)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	C(CCCO)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	108.5298	2.309	4	108.5298	5.329	4	108.8227	0.948	20	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)(OH)(H)	H(CCCH)	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)(OH)(H)	H(CCCH)	108.3230	0.048	2	108.3230	0.002	2	108.8227	0.948	20	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)(ON)(H)	H(CCCH)	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)(ON)(H)	H(CCCH)	108.8755	0.045	2	108.8755	0.002	2	108.8227	0.948	20	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	108.7665	0.105	4	108.7665	0.011	4	108.8227	0.948	20	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CCHO)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	C(CCHO)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	108.7370	0.018	2	108.7370	0.000	2	108.8227	0.948	20	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CC[6]HH)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	C(CC[6]HH)(CHOO)(H)2	C(CCHH)(OC)2(H)	H(CCCH)	109.2332	0.138	6	109.2332	0.019	6	108.8227	0.948	20	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CN)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CN)(OC)(H)	H(CC[5]CH)	109.5717	0.172	4	109.5717	0.030	4	109.5717	0.030	4	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	C(CC[5]HH)(OC)2(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	C(CC[5]HH)(OC)2(H)	H(CC[5]CH)	108.5637	0.063	4	108.5637	0.004	4	108.8360	0.180	6	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(C[5]C[5]2C)(CHOO)(H)2	C(CC[5]HH)(OC[6])(OC)(H)	H(CC[5]CH)	C(C[5]C[5]2C)(CHOO)(H)2	C(CC[5]HH)(OC[6])(OC)(H)	H(CC[5]CH)	109.3805	0.009	2	109.3805	0.000	2	108.8360	0.180	6	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CHOO)(H)2	C(CC[6]HH)(OC)2(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CHOO)(H)2	C(CC[6]HH)(OC)2(H)	H(CC[6]CH)	108.7140	0.052	2	108.7140	0.003	2	108.7140	0.003	2	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:S-2:S-2:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	C(CC[6]HH)(SC[6a])2(H)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CHSS)(H)2	C(CC[6]HH)(SC[6a])2(H)	H(CC[6]CH)	108.1770	5.347	2	108.1770	28.592	2	108.1770	28.592	2	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(NCoCH)(CHOO)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	C(NCoCH)(CHOO)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	110.9565	4.122	2	110.9565	16.989	2	109.2638	6.735	6	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(NCoHH)(CHOO)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	C(NCoHH)(CHOO)(H)2	C(CHHN)(OC)2(H)	H(CCHN)	108.4175	1.642	4	108.4175	2.697	4	109.2638	6.735	6	108.9051	1.654	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-2:C-2:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CC)2(OC)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CC)2(OC)	H(CCCH)	109.1500	0.044	2	109.1500	0.002	2	109.1500	0.002	2	109.1500	0.002	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:C-3:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(OC[6])(CCH)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(OC[6])(CCH)(H)	H(CC[6]CH)	108.9175	0.028	2	108.9175	0.001	2	108.9175	0.001	2	108.9175	0.001	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	H(CBrCC)	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	H(CBrCC)	108.7562	1.338	6	108.7562	1.791	6	108.7562	1.791	6	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	H(CCCH)	108.9996	0.690	10	108.9996	0.476	10	108.9701	0.335	14	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCo2C)(OC[5])(CCHH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCo2C)(OC[5])(CCHH)(H)	H(CCCH)	108.8965	0.119	4	108.8965	0.014	4	108.9701	0.335	14	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CC[6a]HN)(SC[6a])(CCHH)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CC[6a]HN)(SC[6a])(CCHH)(H)	H(CCCH)	108.9550	0.000	1	108.9550	0.000	1	108.5185	0.119	4	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CN[6]CH)(SC[6a])(CCHH)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CN[6]CH)(SC[6a])(CCHH)(H)	H(CCCH)	108.2425	0.046	2	108.2425	0.002	2	108.5185	0.119	4	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:	C(CC[6a]HH)(CCHS)(H)2	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[6a]HH)(CCHS)(H)2	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	H(CCCH)	108.6340	0.000	1	108.6340	0.000	1	108.5185	0.119	4	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	H(CCCH)	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	H(CCCH)	108.5560	0.038	2	108.5560	0.001	2	108.5560	0.001	2	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:S-2:C-4:H-1:	C-4:	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	H(CCCH)	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	H(CCCH)	108.6525	0.066	2	108.6525	0.004	2	108.6525	0.004	2	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:Se-2:C-4:H-1:	C-4:	C(CC[5]SeH)(CClCH)(H)2	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	H(CCCH)	C(CC[5]SeH)(CClCH)(H)2	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	H(CCCH)	108.4020	0.274	3	108.4020	0.075	3	108.4020	0.075	3	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:S-2:C-4:H-1:	C-4:	C(CHPS)(CC3)(H)2	C(PC[6a]CO)(SC[6a])(CCHH)(H)	H(CCCH)	C(CHPS)(CC3)(H)2	C(PC[6a]CO)(SC[6a])(CCHH)(H)	H(CCCH)	107.6390	0.294	2	107.6390	0.087	2	107.6390	0.087	2	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:S-2:Si-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CSiHS)(H)2	C(CC[3]HH)(SC[6a])(SiC3)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	C(CC[3]HH)(SC[6a])(SiC3)(H)	H(CC[3]CH)	108.6400	0.017	2	108.6400	0.000	2	108.6400	0.000	2	108.6964	0.519	35	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:O-2:C-4:O-2:	C-4:	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	H(CCCH)	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	H(CCCH)	108.4155	0.015	2	108.4155	0.000	2	108.4155	0.000	2	108.4155	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:4:	4:	C-4:C-4:Br-1:H-1:	C-4:O-2:C-4:C-4:	C-4:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(OC[6])(CH3)2	H(CBrCC)	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(OC[6])(CH3)2	H(CBrCC)	113.2790	0.000	1	113.2790	0.000	1	113.2790	0.000	1	107.1889	10.444	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:O-2:C-4:C-4:	C-4:	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	H(CCCH)	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	H(CCCH)	104.5331	4.350	4	104.5331	18.921	4	106.6814	7.741	12	107.1889	10.444	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:2:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:O-2:C-4:C-4:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	H(CCCH)	107.7556	0.314	8	107.7556	0.098	8	106.6814	7.741	12	107.1889	10.444	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCH)(H)2	H(CBrCC)	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCH)(H)2	H(CBrCC)	106.0660	0.000	1	106.0660	0.000	1	108.1314	1.366	5	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCH)(H)2	H(CBrCC)	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCH)(H)2	H(CBrCC)	108.6478	0.210	4	108.6478	0.044	4	108.1314	1.366	5	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CClCH)(CHHN)(Br)(H)	C(CBrCH)(NCH)(H)2	H(CBrCC)	C(CClCH)(CHHN)(Br)(H)	C(CBrCH)(NCH)(H)2	H(CBrCC)	106.6840	0.000	1	106.6840	0.000	1	106.6840	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(Cl)(H)	C(CClCH)(CCC)(H)2	H(CClCC)	C(CCHH)2(Cl)(H)	C(CClCH)(CCC)(H)2	H(CClCC)	108.2410	0.228	2	108.2410	0.052	2	108.1580	0.284	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(Cl)(H)	C(CClCH)(CCI)(H)2	H(CClCC)	C(CCHH)2(Cl)(H)	C(CClCH)(CCI)(H)2	H(CClCC)	108.8090	0.000	1	108.8090	0.000	1	108.1580	0.284	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(Cl)(H)	C(CClCH)(CCO)(H)2	H(CClCC)	C(CCHH)2(Cl)(H)	C(CClCH)(CCO)(H)2	H(CClCC)	108.5020	0.000	1	108.5020	0.000	1	108.1580	0.284	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CClCH)(CCC)(H)2	H(CClCC)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CClCH)(CCC)(H)2	H(CClCC)	107.5775	0.374	2	107.5775	0.140	2	108.1580	0.284	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(Cl)(H)	C(CClCH)(NCH)(H)2	H(CClCC)	C(CCHN)(CHHN)(Cl)(H)	C(CClCH)(NCH)(H)2	H(CClCC)	108.7843	0.628	3	108.7843	0.394	3	108.4084	1.148	5	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(NCH)(H)2	H(CClCC)	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(NCH)(H)2	H(CClCC)	106.6730	0.000	1	106.6730	0.000	1	108.4084	1.148	5	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(Cl)(H)	C(CClCH)(NCC)(H)2	H(CClCC)	C(CHHN)(CH3)(Cl)(H)	C(CClCH)(NCC)(H)2	H(CClCC)	109.0160	0.000	1	109.0160	0.000	1	108.4084	1.148	5	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(F)(H)	C(CCFH)(NHS)(H)2	H(CCCF)	C(CC[6a]HH)(CHHN)(F)(H)	C(CCFH)(NHS)(H)2	H(CCCF)	109.8110	0.000	1	109.8110	0.000	1	109.8110	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	H(CCCH)	108.4102	1.225	5	108.4102	1.502	5	108.6161	1.125	7	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CN[5]HH)(CBrCH)(H)2	C(CCHH)(COO)(Br)(H)	H(CCCH)	C(CN[5]HH)(CBrCH)(H)2	C(CCHH)(COO)(Br)(H)	H(CCCH)	109.1310	0.007	2	109.1310	0.000	2	108.6161	1.125	7	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CC[5]SeH)(CClCH)(H)2	C(CCHH)(CCO)(Cl)(H)	H(CCCH)	C(CC[5]SeH)(CClCH)(H)2	C(CCHH)(CCO)(Cl)(H)	H(CCCH)	108.5400	0.295	4	108.5400	0.087	4	108.0458	1.880	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCHH)(CNO)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCHH)(CNO)(Cl)(H)	H(CCCH)	108.5127	0.494	3	108.5127	0.244	3	108.0458	1.880	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(H)2	C(CCHH)(COO)(Cl)(H)	H(CCCH)	C(CClCH)(CH3)(H)2	C(CCHH)(COO)(Cl)(H)	H(CCCH)	108.5905	0.052	2	108.5905	0.003	2	108.0458	1.880	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)2(H)2	C(CCHH)(CCC)(Cl)(H)	H(CCCH)	C(CClCH)2(H)2	C(CCHH)(CCC)(Cl)(H)	H(CCCH)	105.8125	2.419	2	105.8125	5.852	2	108.0458	1.880	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:D-1:H-1:	C-4:	C(CCDH)(CCHH)(H)2	C(CCHH)(CCO)(D)(H)	H(CCCH)	C(CCDH)(CCHH)(H)2	C(CCHH)(CCO)(D)(H)	H(CCCH)	108.3775	0.064	2	108.3775	0.004	2	108.3775	0.004	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCHH)(CCC)(F)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCHH)(CCC)(F)2	H(CCCH)	108.9003	0.011	3	108.9003	0.000	3	108.6926	0.067	7	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(CC[6a]2H)(CCFF)(H)2	C(CCHH)(COO)(F)2	H(CCCH)	C(CC[6a]2H)(CCFF)(H)2	C(CCHH)(COO)(F)2	H(CCCH)	108.7455	0.006	2	108.7455	0.000	2	108.6926	0.067	7	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(CC[6a]CC)(CCFF)(H)2	C(CCHH)(CNO)(F)2	H(CCCH)	C(CC[6a]CC)(CCFF)(H)2	C(CCHH)(CNO)(F)2	H(CCCH)	108.3280	0.023	2	108.3280	0.001	2	108.6926	0.067	7	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(CCFH)(CCHN)(H)2	C(CCHH)(CNO)(F)(H)	H(CCCH)	C(CCFH)(CCHN)(H)2	C(CCHH)(CNO)(F)(H)	H(CCCH)	108.0092	1.145	11	108.0092	1.311	11	108.2596	1.258	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(CCFH)(CFHH)(H)2	C(CCHH)(CCH)(F)(H)	H(CCCH)	C(CCFH)(CFHH)(H)2	C(CCHH)(CCH)(F)(H)	H(CCCH)	109.1780	0.110	3	109.1780	0.012	3	108.2596	1.258	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBHH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CBHH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	108.8805	5.774	2	108.8805	33.334	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.5889	0.285	7	108.5889	0.081	7	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.8420	0.014	2	108.8420	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.7198	0.265	4	108.7198	0.070	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.6000	0.055	2	109.6000	0.003	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.3276	0.442	14	108.3276	0.196	14	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.5173	0.606	40	108.5173	0.367	40	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.4996	0.892	16	108.4996	0.796	16	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.6239	0.572	53	108.6239	0.328	53	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.9367	0.370	15	108.9367	0.137	15	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.5567	0.197	10	108.5567	0.039	10	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.2435	0.097	11	108.2435	0.009	11	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.0547	0.387	6	108.0547	0.150	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.9685	0.114	2	108.9685	0.013	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCDH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCDH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.4265	0.118	2	108.4265	0.014	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.8690	2.782	2	108.8690	7.738	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.9022	0.957	6	108.9022	0.916	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.0300	1.176	24	108.0300	1.384	24	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.5950	0.013	2	108.5950	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.6176	0.453	10	108.6176	0.205	10	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHI)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CCHI)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.7965	0.056	2	108.7965	0.003	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHI)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCHI)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	105.1962	4.767	6	105.1962	22.722	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.8611	0.633	14	108.8611	0.401	14	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.9067	0.901	75	108.9067	0.812	75	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.6958	1.672	127	108.6958	2.796	127	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.6973	0.373	26	108.6973	0.139	26	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	107.9453	2.572	25	107.9453	6.616	25	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.8510	0.327	4	108.8510	0.107	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCS)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCS)(H)2	H(CCCH)	108.6095	0.049	2	108.6095	0.002	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.0855	0.008	2	109.0855	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.6427	0.240	12	108.6427	0.058	12	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.1900	0.021	2	108.1900	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	110.1090	0.448	2	110.1090	0.201	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCNS)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CCNS)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.1710	0.016	2	109.1710	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CFHH)(H)2	C(CCHH)(CClC)(H)2	H(CCCH)	C(CCHH)(CFHH)(H)2	C(CCHH)(CClC)(H)2	H(CCCH)	109.3695	1.275	2	109.3695	1.625	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CAuC)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CAuC)(H)2	H(CCCH)	109.7625	0.083	2	109.7625	0.007	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CBC)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CBC)(H)2	H(CCCH)	109.2020	0.368	6	109.2020	0.135	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.9490	0.460	31	108.9490	0.212	31	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCF)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCF)(H)2	H(CCCH)	109.3550	0.017	2	109.3550	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.6078	1.070	53	108.6078	1.145	53	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	109.2661	0.148	8	109.2661	0.022	8	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.6340	1.263	24	108.6340	1.596	24	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCP)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCP)(H)2	H(CCCH)	108.5300	0.622	6	108.5300	0.387	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCS)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCS)(H)2	H(CCCH)	109.5110	0.016	2	109.5110	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	107.8450	4.301	37	107.8450	18.501	37	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	109.1512	1.222	14	109.1512	1.493	14	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHO)(H)2	H(CCCH)	107.3905	0.037	2	107.3905	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHP)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHP)(H)2	H(CCCH)	108.7682	0.154	4	108.7682	0.024	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CNN)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CNN)(H)2	H(CCCH)	109.0283	0.120	3	109.0283	0.014	3	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.0135	0.587	61	109.0135	0.344	61	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CNS)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CNS)(H)2	H(CCCH)	108.8353	0.290	4	108.8353	0.084	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0353	0.702	35	109.0353	0.493	35	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CPtO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CPtO)(H)2	H(CCCH)	108.9175	0.035	2	108.9175	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CRuO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CRuO)(H)2	H(CCCH)	109.3435	0.009	2	109.3435	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CSeC)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CSeC)(H)2	H(CCCH)	109.4520	0.035	2	109.4520	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.2416	0.462	28	109.2416	0.213	28	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	107.5395	5.482	4	107.5395	30.048	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.1282	0.633	9	109.1282	0.401	9	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	107.8432	6.127	10	107.8432	37.541	10	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	108.6621	0.275	8	108.6621	0.075	8	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.2553	0.308	19	109.2553	0.095	19	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0832	0.715	81	109.0832	0.511	81	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.6200	0.030	2	108.6200	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.6060	0.751	8	108.6060	0.564	8	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCI)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCI)(H)2	H(CCCH)	108.6295	0.139	2	108.6295	0.019	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	108.3705	0.005	2	108.3705	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	110.8985	1.991	38	110.8985	3.964	38	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	109.2139	0.138	14	109.2139	0.019	14	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.2261	0.833	23	109.2261	0.693	23	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0431	0.291	13	109.0431	0.085	13	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CReC)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CReC)(H)2	H(CCCH)	109.6660	0.052	2	109.6660	0.003	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.3115	0.022	2	109.3115	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.4725	0.018	2	109.4725	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.8900	0.017	2	108.8900	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.9065	0.236	4	108.9065	0.056	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.9897	0.152	6	108.9897	0.023	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHW)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CHHW)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0330	0.035	2	109.0330	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CN3)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)(CN3)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	110.6700	0.806	4	110.6700	0.650	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CN3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CN3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	111.5555	0.717	4	111.5555	0.514	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CSe3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)(CSe3)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.7530	0.035	2	108.7530	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CBrC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CBrC)(H)2	H(CCCH)	108.6080	0.008	2	108.6080	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.4554	1.499	102	108.4554	2.248	102	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCF)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCF)(H)2	H(CCCH)	108.1600	0.018	2	108.1600	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.6157	0.959	276	108.6157	0.920	276	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCN)(H)2	H(CCCH)	108.5070	1.310	82	108.5070	1.717	82	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.7070	0.566	237	108.7070	0.320	237	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCP)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCP)(H)2	H(CCCH)	109.1703	0.149	3	109.1703	0.022	3	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCS)(H)2	H(CCCH)	108.5702	0.643	10	108.5702	0.413	10	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCoC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCoC)(H)2	H(CCCH)	108.9455	0.108	2	108.9455	0.012	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCuC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCuC)(H)2	H(CCCH)	108.3615	0.499	40	108.3615	0.249	40	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CFeO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CFeO)(H)2	H(CCCH)	108.8080	0.109	2	108.8080	0.012	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	108.4549	3.882	42	108.4549	15.070	42	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHN)(H)2	H(CCCH)	109.3731	1.050	13	109.3731	1.103	13	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHO)(H)2	H(CCCH)	108.8588	0.051	4	108.8588	0.003	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHP)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHP)(H)2	H(CCCH)	108.7045	0.296	2	108.7045	0.088	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHS)(H)2	H(CCCH)	108.2415	0.045	2	108.2415	0.002	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	108.2365	0.011	2	108.2365	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CMgC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CMgC)(H)2	H(CCCH)	108.7490	0.030	2	108.7490	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CMoH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CMoH)(H)2	H(CCCH)	111.2590	0.005	4	111.2590	0.000	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CNN)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CNN)(H)2	H(CCCH)	109.4643	0.296	39	109.4643	0.088	39	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.8433	1.016	389	108.8433	1.033	389	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CNS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CNS)(H)2	H(CCCH)	108.5914	0.773	5	108.5914	0.597	5	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CNiO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CNiO)(H)2	H(CCCH)	109.0725	0.227	2	109.0725	0.052	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.1583	0.750	1356	109.1583	0.562	1356	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(COS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(COS)(H)2	H(CCCH)	108.8485	1.292	30	108.8485	1.669	30	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(COsC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(COsC)(H)2	H(CCCH)	109.0600	0.017	2	109.0600	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CReC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CReC)(H)2	H(CCCH)	109.0427	0.230	14	109.0427	0.053	14	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CReO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CReO)(H)2	H(CCCH)	109.0060	0.010	2	109.0060	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CRhC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CRhC)(H)2	H(CCCH)	108.4570	1.261	2	108.4570	1.591	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CRuC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CRuC)(H)2	H(CCCH)	109.0870	0.000	1	109.0870	0.000	1	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CRuH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CRuH)(H)2	H(CCCH)	108.7428	0.076	4	108.7428	0.006	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CSS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CSS)(H)2	H(CCCH)	108.0717	0.371	3	108.0717	0.138	3	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CSeC)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CSeC)(H)2	H(CCCH)	109.2797	0.290	3	109.2797	0.084	3	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[3]CH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[3]CH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.1975	0.029	4	109.1975	0.001	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.6715	0.016	2	108.6715	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.3798	0.902	4	108.3798	0.813	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.2978	0.950	10	109.2978	0.902	10	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[3x5,6]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[3x5,6]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	107.4745	0.030	2	107.4745	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[3x5,6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[3x5,6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.2910	0.000	1	108.2910	0.000	1	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	106.6010	4.623	2	106.6010	21.373	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.6370	0.008	2	108.6370	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	107.4855	0.052	2	107.4855	0.003	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.4137	0.018	4	108.4137	0.000	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.3290	0.404	3	108.3290	0.163	3	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.4528	0.927	45	108.4528	0.859	45	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.6440	0.372	8	108.6440	0.138	8	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.1546	1.361	53	108.1546	1.853	53	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.5114	1.002	197	108.5114	1.005	197	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	107.8703	0.335	18	107.8703	0.112	18	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.9640	0.020	2	108.9640	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.3445	0.670	6	108.3445	0.448	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.6105	0.081	6	108.6105	0.007	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHO)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHO)(H)2	H(CCCH)	108.9965	0.042	2	108.9965	0.002	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.8070	0.000	1	108.8070	0.000	1	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.3868	0.017	4	109.3868	0.000	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.2098	1.043	5	109.2098	1.088	5	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	109.0010	0.051	2	109.0010	0.003	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.9990	0.042	2	108.9990	0.002	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]RuH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5]RuH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.3790	0.013	2	108.3790	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.7306	0.231	11	108.7306	0.053	11	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	109.4935	2.917	2	109.4935	8.508	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.1485	1.602	2	109.1485	2.565	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.0760	0.021	2	109.0760	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.2955	0.006	2	109.2955	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]HS)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[5a]HS)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.5180	0.010	2	109.5180	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6,6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6,6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.6300	0.034	2	108.6300	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]BrH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]BrH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.3745	0.035	2	108.3745	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.5355	0.018	2	108.5355	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.7117	0.409	11	108.7117	0.167	11	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.7875	0.016	2	108.7875	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]CO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]CO)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.5108	3.244	4	109.5108	10.524	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.7795	0.526	12	108.7795	0.277	12	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.2400	0.023	2	108.2400	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.3470	0.161	4	109.3470	0.026	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0665	0.147	4	109.0665	0.022	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.9245	0.181	4	108.9245	0.033	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]BrC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6a]BrC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	107.8985	0.025	2	107.8985	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.1440	0.000	1	108.1440	0.000	1	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.5785	0.022	2	108.5785	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.5405	0.008	2	108.5405	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.6568	0.462	4	108.6568	0.214	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CS)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]CS)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.2390	0.000	1	109.2390	0.000	1	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]C[6]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]C[6]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.7100	0.020	2	108.7100	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]C[6]C)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6a]C[6]C)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.9740	0.065	2	108.9740	0.004	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.4460	0.021	2	108.4460	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	109.0006	0.709	12	109.0006	0.502	12	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.9223	0.693	10	108.9223	0.481	10	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.9830	0.313	4	108.9830	0.098	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.5641	1.229	17	108.5641	1.510	17	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.0455	0.651	15	109.0455	0.424	15	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.4775	1.258	2	109.4775	1.582	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.2845	0.013	2	109.2845	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.9100	0.020	2	108.9100	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CClCC)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CClCC)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	107.5590	0.004	2	107.5590	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.7140	0.000	1	108.7140	0.000	1	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.9046	0.195	29	108.9046	0.038	29	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CIrCC)(CCHH)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	C(CIrCC)(CCHH)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	110.0795	0.023	2	110.0795	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.0693	0.625	6	109.0693	0.391	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CCHH)(CIrC)(H)2	H(CCCH)	108.7612	0.530	10	108.7612	0.280	10	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[3]HN)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CN[3]HN)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.1660	0.031	2	109.1660	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.6910	0.018	2	108.6910	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.4826	0.434	7	109.4826	0.188	7	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CNN)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CNN)(H)2	H(CCCH)	108.6610	0.027	2	108.6610	0.001	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.8010	0.218	2	108.8010	0.047	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.4244	0.365	28	109.4244	0.133	28	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	109.0748	0.174	4	109.0748	0.030	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.7267	0.249	6	108.7267	0.062	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.5735	0.076	2	108.5735	0.006	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.1635	0.052	2	108.1635	0.003	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	108.7740	0.010	2	108.7740	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.3300	0.049	2	109.3300	0.002	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	H(CCCH)	109.0778	0.583	4	109.0778	0.340	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	108.2725	0.009	2	108.2725	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	109.2345	0.493	11	109.2345	0.243	11	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	H(CCCH)	109.7695	0.559	2	109.7695	0.313	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	110.1037	0.026	4	110.1037	0.001	4	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CPtHH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CPtHH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	109.3460	0.194	6	109.3460	0.037	6	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CRhCH)(CCHH)(H)2	C(CCHH)(CRhC)(H)2	H(CCCH)	C(CRhCH)(CCHH)(H)2	C(CCHH)(CRhC)(H)2	H(CCCH)	108.6322	1.173	9	108.6322	1.376	9	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CRuCH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	C(CRuCH)(CCHH)(H)2	C(CCHH)(COO)(H)2	H(CCCH)	108.7665	0.018	2	108.7665	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CSiFF)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CSiFF)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.0735	0.011	2	109.0735	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	H(CCCH)	108.9340	0.013	2	108.9340	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	H(CCCH)	108.8705	0.016	2	108.8705	0.000	2	108.8732	1.374	4503	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:O-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)(O)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)(O)	H(CCCH)	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Ga-3:H-1:H-1:	C-4:	C(CGaHH)(CH3)(H)2	C(CCHH)(GaCC)(H)2	H(CCCH)	C(CGaHH)(CH3)(H)2	C(CCHH)(GaCC)(H)2	H(CCCH)	108.9810	0.051	2	108.9810	0.003	2	108.9810	0.003	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CBHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CBHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	107.8715	2.007	2	107.8715	4.030	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.4000	0.074	2	109.4000	0.005	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	108.8480	0.000	1	108.8480	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.6034	0.676	34	108.6034	0.456	34	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.7880	0.023	3	108.7880	0.001	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	108.5630	2.152	2	108.5630	4.633	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CCCO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.6480	0.017	2	108.6480	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NAlC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NAlC)(H)2	H(CCCH)	109.2993	0.253	7	109.2993	0.064	7	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NAuC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NAuC)(H)2	H(CCCH)	108.6032	0.345	12	108.6032	0.119	12	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NBC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NBC)(H)2	H(CCCH)	109.3520	0.030	2	109.3520	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NBeC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NBeC)(H)2	H(CCCH)	107.9398	0.032	4	107.9398	0.001	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.0220	0.990	422	109.0220	0.981	422	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.9912	1.190	879	108.9912	1.416	879	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCN)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCN)(H)2	H(CCCH)	108.6713	0.540	72	108.6713	0.292	72	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCO)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCO)(H)2	H(CCCH)	108.5177	0.583	12	108.5177	0.340	12	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCP)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCP)(H)2	H(CCCH)	108.6225	0.308	4	108.6225	0.095	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.8138	0.491	38	108.8138	0.241	38	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCW)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCW)(H)2	H(CCCH)	109.1610	0.279	8	109.1610	0.078	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCY)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCY)(H)2	H(CCCH)	108.2750	2.138	2	108.2750	4.572	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NClS)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NClS)(H)2	H(CCCH)	109.3445	0.069	2	109.3445	0.005	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	108.6988	0.451	52	108.6988	0.203	52	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCrC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCrC)(H)2	H(CCCH)	106.4050	0.167	2	106.4050	0.028	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	108.2910	1.041	60	108.2910	1.085	60	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuN)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuN)(H)2	H(CCCH)	108.8000	0.082	4	108.8000	0.007	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	108.4265	2.198	32	108.4265	4.831	32	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	108.8462	1.240	39	108.8462	1.538	39	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	109.1990	0.008	2	109.1990	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	108.9885	0.501	27	108.9885	0.251	27	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NHfC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NHfC)(H)2	H(CCCH)	108.7727	0.038	3	108.7727	0.001	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NIrH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NIrH)(H)2	H(CCCH)	109.3335	0.030	2	109.3335	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	108.7050	1.142	6	108.7050	1.305	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	108.7913	0.889	30	108.7913	0.791	30	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NPP)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NPP)(H)2	H(CCCH)	108.4975	0.009	2	108.4975	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	109.0234	0.801	53	109.0234	0.642	53	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	108.4900	0.792	92	108.4900	0.627	92	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	H(CCCH)	108.3217	0.379	18	108.3217	0.144	18	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NRhC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NRhC)(H)2	H(CCCH)	108.4705	2.745	22	108.4705	7.533	22	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NSiC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NSiC)(H)2	H(CCCH)	108.5096	0.130	7	108.5096	0.017	7	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NTiC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NTiC)(H)2	H(CCCH)	107.5895	2.052	4	107.5895	4.211	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	108.7892	0.376	20	108.7892	0.141	20	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.9904	0.400	5	108.9904	0.160	5	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.6040	0.007	2	109.6040	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	108.5678	1.565	4	108.5678	2.448	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.0940	0.074	2	109.0940	0.005	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	108.3943	0.034	3	108.3943	0.001	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	107.3147	0.102	3	107.3147	0.011	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	108.8629	0.340	14	108.8629	0.115	14	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[3]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[3]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.2975	0.005	2	109.2975	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[4]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[4]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.6451	0.343	15	108.6451	0.118	15	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[4x5,6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[4x5,6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	107.9645	0.009	2	107.9645	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5,3x6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[5,3x6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	107.9711	0.215	7	107.9711	0.046	7	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5,5,3x6]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[5,5,3x6]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.3860	0.023	2	109.3860	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5,5,6,6]HH)(CHHN)(H)2	C(CCHH)(NHO)(H)2	H(CCCH)	C(CC[5,5,6,6]HH)(CHHN)(H)2	C(CCHH)(NHO)(H)2	H(CCCH)	108.5385	0.609	2	108.5385	0.371	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CHHN)(H)2	C(CCHH)(NOS)(H)2	H(CCCH)	C(CC[5,6,6]HH)(CHHN)(H)2	C(CCHH)(NOS)(H)2	H(CCCH)	105.7615	1.254	2	105.7615	1.572	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5,6,6]HO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[5,6,6]HO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.2282	0.124	6	108.2282	0.015	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.3826	5.062	14	108.3826	25.626	14	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]2C)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	C(CC[5]2C)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	109.3335	1.162	2	109.3335	1.350	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.6985	4.806	14	109.6985	23.102	14	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.4070	0.603	3	108.4070	0.363	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.8620	0.595	4	108.8620	0.354	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NIrS)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NIrS)(H)2	H(CCCH)	108.2122	0.665	8	108.2122	0.443	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NRhH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NRhH)(H)2	H(CCCH)	108.2805	0.083	2	108.2805	0.007	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NRhS)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NRhS)(H)2	H(CCCH)	107.9195	0.039	2	107.9195	0.002	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NTiS)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NTiS)(H)2	H(CCCH)	108.9420	0.023	2	108.9420	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]2H)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[5a]2H)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.0345	0.029	2	109.0345	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.6826	0.333	8	108.6826	0.111	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.0810	0.067	4	109.0810	0.004	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.1380	0.020	2	108.1380	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]HO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[5a]HO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.1927	0.127	6	109.1927	0.016	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.3271	0.294	10	109.3271	0.087	10	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	109.7950	0.000	1	109.7950	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NRuS)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(CCHH)(NRuS)(H)2	H(CCCH)	108.1910	0.369	2	108.1910	0.136	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CC)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[6a]CC)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.0750	0.164	4	108.0750	0.027	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.0115	0.242	4	109.0115	0.059	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	108.2480	0.000	1	108.2480	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	109.0920	0.011	2	109.0920	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NSS)(H)2	H(CCCH)	C(CC[6a]CH)(CHHN)(H)2	C(CCHH)(NSS)(H)2	H(CCCH)	108.1620	0.018	3	108.1620	0.000	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CC[6a]CO)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.9035	0.167	8	108.9035	0.028	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]C[5]H)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CC[6a]C[5]H)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.9935	0.018	2	108.9935	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.8590	0.410	13	108.8590	0.168	13	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHN)(H)2	C(CCHH)(NSS)(H)2	H(CCCH)	C(CC[6a]HN)(CHHN)(H)2	C(CCHH)(NSS)(H)2	H(CCCH)	108.8840	0.065	4	108.8840	0.004	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CClHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CClHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.5591	0.674	8	108.5591	0.454	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CClHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CClHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.4235	0.153	4	108.4235	0.023	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CGeHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CGeHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.2162	0.427	5	108.2162	0.182	5	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CC3)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CC3)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.6940	0.000	1	108.6940	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.1336	1.002	168	109.1336	1.004	168	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.0575	0.962	146	109.0575	0.926	146	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCP)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCP)(H)2	H(CCCH)	109.6849	0.307	11	109.6849	0.094	11	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.3517	0.286	20	109.3517	0.082	20	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	109.0160	0.037	2	109.0160	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	108.3246	0.953	42	108.3246	0.909	42	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	109.2593	0.901	8	109.2593	0.811	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	108.9604	0.304	5	108.9604	0.092	5	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	108.7664	0.287	14	108.7664	0.083	14	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	108.6450	0.434	4	108.6450	0.188	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NOsC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NOsC)(H)2	H(CCCH)	108.9197	0.421	8	108.9197	0.177	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NPP)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NPP)(H)2	H(CCCH)	109.3904	0.523	5	109.3904	0.274	5	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	109.2110	0.031	2	109.2110	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	108.7300	0.396	2	108.7300	0.157	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NRuC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NRuC)(H)2	H(CCCH)	109.3174	0.106	11	109.3174	0.011	11	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NSS)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NSS)(H)2	H(CCCH)	109.0530	0.000	1	109.0530	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	109.2416	0.190	9	109.2416	0.036	9	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.1293	1.469	25	109.1293	2.158	25	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.7416	1.148	38	108.7416	1.317	38	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.6940	0.000	1	108.6940	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	108.6110	0.034	2	108.6110	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	109.3100	0.000	1	109.3100	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	108.6406	0.581	13	108.6406	0.337	13	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	109.2818	0.256	4	109.2818	0.065	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	108.6875	0.043	2	108.6875	0.002	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	109.2650	0.702	6	109.2650	0.493	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	108.9295	0.402	13	108.9295	0.162	13	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NSnC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NSnC)(H)2	H(CCCH)	109.4086	0.598	5	109.4086	0.357	5	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	108.6333	0.187	4	108.6333	0.035	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.8154	0.331	8	108.8154	0.110	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	108.8169	0.309	8	108.8169	0.095	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	108.6786	0.182	8	108.6786	0.033	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	109.2805	0.033	2	109.2805	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	108.7931	0.266	18	108.7931	0.071	18	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NMoC)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NMoC)(H)2	H(CCCH)	108.6597	0.174	13	108.6597	0.030	13	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	109.0758	0.068	6	109.0758	0.005	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.9823	0.336	14	108.9823	0.113	14	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.1996	0.103	7	109.1996	0.011	7	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	108.4925	0.398	8	108.4925	0.159	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NPP)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NPP)(H)2	H(CCCH)	109.2587	0.408	7	109.2587	0.166	7	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NAlC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NAlC)(H)2	H(CCCH)	108.6784	0.251	17	108.6784	0.063	17	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NAuC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NAuC)(H)2	H(CCCH)	107.2387	1.268	8	107.2387	1.607	8	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.9477	0.966	280	108.9477	0.932	280	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.9675	0.756	274	108.9675	0.571	274	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	109.0606	0.299	27	109.0606	0.090	27	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCW)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCW)(H)2	H(CCCH)	108.7955	0.428	4	108.7955	0.183	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCdC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCdC)(H)2	H(CCCH)	108.5365	0.028	4	108.5365	0.001	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	108.5477	0.582	168	108.5477	0.339	168	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCoH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCoH)(H)2	H(CCCH)	108.7985	0.671	4	108.7985	0.450	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCrC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCrC)(H)2	H(CCCH)	108.3960	0.000	1	108.3960	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	108.5862	1.431	260	108.5862	2.048	260	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NFeC)(H)2	H(CCCH)	108.5330	0.425	205	108.5330	0.181	205	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	108.9004	0.562	22	108.9004	0.316	22	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NHP)(H)2	H(CCCH)	109.5010	0.000	1	109.5010	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	109.1700	0.342	20	109.1700	0.117	20	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NIrC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NIrC)(H)2	H(CCCH)	108.6930	0.013	2	108.6930	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NMgC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NMgC)(H)2	H(CCCH)	108.1696	0.075	11	108.1696	0.006	11	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	108.4147	0.815	278	108.4147	0.664	278	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NMnH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NMnH)(H)2	H(CCCH)	102.0136	15.363	2	102.0136	236.025	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NMoC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NMoC)(H)2	H(CCCH)	108.3846	0.096	12	108.3846	0.009	12	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NNiC)(H)2	H(CCCH)	108.6907	1.273	319	108.6907	1.620	319	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NNiH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NNiH)(H)2	H(CCCH)	108.6111	1.496	7	108.6111	2.239	7	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NNiP)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NNiP)(H)2	H(CCCH)	109.4415	0.026	2	109.4415	0.001	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	107.2348	2.902	22	107.2348	8.420	22	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	108.7083	0.519	49	108.7083	0.269	49	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NReC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NReC)(H)2	H(CCCH)	108.5926	0.443	29	108.5926	0.197	29	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NSiC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NSiC)(H)2	H(CCCH)	109.1125	0.019	2	109.1125	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NSmC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NSmC)(H)2	H(CCCH)	108.4117	0.024	3	108.4117	0.001	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NTiC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NTiC)(H)2	H(CCCH)	108.9505	0.591	6	108.9505	0.349	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	108.7605	0.807	100	108.7605	0.651	100	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.1294	0.445	36	109.1294	0.198	36	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.7888	0.103	6	108.7888	0.011	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	H(CCCH)	108.7475	0.073	2	108.7475	0.005	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	109.1170	0.013	4	109.1170	0.000	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	109.7020	0.086	2	109.7020	0.007	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	109.1653	0.030	3	109.1653	0.001	3	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	109.2890	0.032	4	109.2890	0.001	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NHgC)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NHgC)(H)2	H(CCCH)	109.0375	0.074	2	109.0375	0.006	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	H(CCCH)	108.4185	0.073	2	108.4185	0.005	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	108.3590	0.109	2	108.3590	0.012	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.7480	0.225	10	108.7480	0.051	10	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.9744	1.723	22	108.9744	2.967	22	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	H(CCCH)	108.4445	0.077	4	108.4445	0.006	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	H(CCCH)	108.7322	0.552	12	108.7322	0.305	12	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	H(CCCH)	107.8840	0.532	2	107.8840	0.283	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	H(CCCH)	109.0807	0.801	4	109.0807	0.642	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	109.8425	0.012	2	109.8425	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	H(CCCH)	109.6355	0.072	6	109.6355	0.005	6	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6a]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CN[6a]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.8890	0.647	4	108.8890	0.419	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(COsHH)(CHHN)(H)2	C(CCHH)(NOsH)(H)2	H(CCCH)	C(COsHH)(CHHN)(H)2	C(CCHH)(NOsH)(H)2	H(CCCH)	108.1955	1.620	2	108.1955	2.624	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CP[6,6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CP[6,6]HH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.4535	0.011	2	108.4535	0.000	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CSeHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CSeHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.7745	0.059	2	108.7745	0.003	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CSeHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	C(CSeHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	H(CCCH)	108.4050	0.000	1	108.4050	0.000	1	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CSeHH)(CHHN)(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	C(CSeHH)(CHHN)(H)2	C(CCHH)(NPtC)(H)2	H(CCCH)	108.8090	0.051	2	108.8090	0.003	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.4795	1.952	2	108.4795	3.812	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	H(CCCH)	108.6111	0.289	9	108.6111	0.084	9	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	H(CCCH)	108.8370	0.041	2	108.8370	0.002	2	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CSnCC)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CSnCC)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	108.5475	0.093	4	108.5475	0.009	4	108.8011	1.232	5168	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:I-1:I-1:	C-4:	C(CC[6a]HH)(CIIN)(H)2	C(CCHH)(NOO)(I)2	H(CCCH)	C(CC[6a]HH)(CIIN)(H)2	C(CCHH)(NOO)(I)2	H(CCCH)	108.7745	0.056	2	108.7745	0.003	2	108.7745	0.003	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OBeC)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OBeC)(H)2	H(CCCH)	108.3942	3.649	4	108.3942	13.314	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OIrC)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OIrC)(H)2	H(CCCH)	109.6460	0.021	2	109.6460	0.000	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(OMg2)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(OMg2)(H)2	H(CCCH)	107.8623	0.976	4	107.8623	0.952	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(ORu2)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(CCHH)(ORu2)(H)2	H(CCCH)	107.6630	2.623	4	107.6630	6.878	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OAl2)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OAl2)(H)2	H(CCCH)	108.5405	0.108	2	108.5405	0.012	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OCu2)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OCu2)(H)2	H(CCCH)	108.8135	0.032	2	108.8135	0.001	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OCuH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OCuH)(H)2	H(CCCH)	109.1215	0.072	4	109.1215	0.005	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OFe2)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OFe2)(H)2	H(CCCH)	108.1594	0.578	8	108.1594	0.335	8	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OFeC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OFeC)(H)2	H(CCCH)	108.4402	0.101	4	108.4402	0.010	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OMn2)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OMn2)(H)2	H(CCCH)	108.7670	0.166	4	108.7670	0.027	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OMnH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OMnH)(H)2	H(CCCH)	105.6970	0.638	2	105.6970	0.407	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(ONi2)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(ONi2)(H)2	H(CCCH)	108.9590	0.136	2	108.9590	0.018	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(ONiC)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(ONiC)(H)2	H(CCCH)	109.1740	0.023	2	109.1740	0.001	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(ONiH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(ONiH)(H)2	H(CCCH)	108.2733	0.106	4	108.2733	0.011	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OSn2)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OSn2)(H)2	H(CCCH)	107.6240	1.267	2	107.6240	1.606	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OCoH)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OCoH)(H)2	H(CCCH)	107.4520	1.537	4	107.4520	2.362	4	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OVV)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OVV)(H)2	H(CCCH)	109.0850	0.031	2	109.0850	0.001	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(CHHS)(H)2	C(CCHH)(OMo2)(H)2	H(CCCH)	C(CHHO)(CHHS)(H)2	C(CCHH)(OMo2)(H)2	H(CCCH)	108.4450	0.023	2	108.4450	0.001	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(CCHH)(OFe2)(H)2	H(CCCH)	C(CHHO)2(H)2	C(CCHH)(OFe2)(H)2	H(CCCH)	107.3361	1.073	8	107.3361	1.152	8	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)2(H)2	C(CCHH)(OMgC)(H)2	H(CCCH)	C(CHHO)2(H)2	C(CCHH)(OMgC)(H)2	H(CCCH)	108.6063	0.031	6	108.6063	0.001	6	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(H)2	C(CCHH)(OGa2)(H)2	H(CCCH)	C(CN[5]HH)(CHHO)(H)2	C(CCHH)(OGa2)(H)2	H(CCCH)	109.1070	0.023	2	109.1070	0.001	2	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CSeHH)(CHHO)(H)2	C(CCHH)(OMo2)(H)2	H(CCCH)	C(CSeHH)(CHHO)(H)2	C(CCHH)(OMo2)(H)2	H(CCCH)	108.5260	0.000	1	108.5260	0.000	1	108.2427	1.672	75	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	108.9891	0.813	26	108.9891	0.661	26	109.3245	5.705	38	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CFHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	C(CFHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	114.0540	11.799	2	114.0540	139.211	2	109.3245	5.705	38	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	109.3342	1.223	6	109.3342	1.496	6	109.3245	5.705	38	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	C(CHHP)2(H)2	C(CCHH)(PCC)(H)2	H(CCCH)	109.1252	0.116	4	109.1252	0.014	4	109.3245	5.705	38	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCC)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SCC)(H)2	H(CCCH)	109.4394	0.493	17	109.4394	0.243	17	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCN)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SCN)(H)2	H(CCCH)	108.8495	0.017	4	108.8495	0.000	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCO)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SCO)(H)2	H(CCCH)	108.9615	0.035	2	108.9615	0.001	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	H(CCCH)	108.3940	0.070	4	108.3940	0.005	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SEr2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SEr2)(H)2	H(CCCH)	107.2270	0.102	2	107.2270	0.010	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	108.8263	0.263	25	108.8263	0.069	25	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SIr2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SIr2)(H)2	H(CCCH)	109.0465	0.039	2	109.0465	0.002	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SMg2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SMg2)(H)2	H(CCCH)	108.9340	0.000	1	108.9340	0.000	1	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SMo2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SMo2)(H)2	H(CCCH)	108.6780	0.014	2	108.6780	0.000	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SMoW)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SMoW)(H)2	H(CCCH)	108.9443	0.595	12	108.9443	0.354	12	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SPd2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SPd2)(H)2	H(CCCH)	108.9549	0.448	11	108.9549	0.200	11	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	H(CCCH)	109.0590	0.221	12	109.0590	0.049	12	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SRe2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SRe2)(H)2	H(CCCH)	109.0712	0.817	4	109.0712	0.668	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SReC)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SReC)(H)2	H(CCCH)	109.0945	0.040	2	109.0945	0.002	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SYY)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SYY)(H)2	H(CCCH)	109.5430	0.089	2	109.5430	0.008	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SYb2)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SYb2)(H)2	H(CCCH)	109.1430	0.160	2	109.1430	0.026	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	108.0056	0.126	10	108.0056	0.016	10	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(SNiC)(H)2	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(SNiC)(H)2	H(CCCH)	108.0556	0.353	7	108.0556	0.125	7	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	108.8068	0.504	6	108.8068	0.254	6	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(SReC)(H)2	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(SReC)(H)2	H(CCCH)	108.6432	1.709	5	108.6432	2.922	5	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	108.8212	0.164	4	108.8212	0.027	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CC[5]RuH)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	C(CC[5]RuH)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	108.6540	0.031	2	108.6540	0.001	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CC[6]HH)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	C(CC[6]HH)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	108.3427	2.707	4	108.3427	7.328	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCoHH)(CHHS)(H)2	C(CCHH)(SCo2)(H)2	H(CCCH)	C(CCoHH)(CHHS)(H)2	C(CCHH)(SCo2)(H)2	H(CCCH)	109.5315	0.042	4	109.5315	0.002	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	H(CCCH)	111.1130	0.646	2	111.1130	0.418	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	107.7802	0.527	12	107.7802	0.277	12	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SFeC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SFeC)(H)2	H(CCCH)	108.2105	0.185	6	108.2105	0.034	6	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SHgC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SHgC)(H)2	H(CCCH)	108.4275	2.637	4	108.4275	6.952	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SIrC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SIrC)(H)2	H(CCCH)	108.7174	0.137	9	108.7174	0.019	9	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SNi2)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SNi2)(H)2	H(CCCH)	108.5565	0.411	4	108.5565	0.169	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SNiC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SNiC)(H)2	H(CCCH)	108.5609	0.300	14	108.5609	0.090	14	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SRhC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SRhC)(H)2	H(CCCH)	108.2647	0.266	3	108.2647	0.071	3	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	108.5495	0.316	4	108.5495	0.100	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHO)(CHHS)(H)2	C(CCHH)(SMoC)(H)2	H(CCCH)	C(CHHO)(CHHS)(H)2	C(CCHH)(SMoC)(H)2	H(CCCH)	108.6585	0.231	4	108.6585	0.053	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(CCHH)(SCu2)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(CCHH)(SCu2)(H)2	H(CCCH)	109.0055	0.050	2	109.0055	0.003	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CF3)(H)2	C(CCHH)(SCS)(H)2	H(CCCH)	C(CHHS)(CF3)(H)2	C(CCHH)(SCS)(H)2	H(CCCH)	110.0910	0.054	2	110.0910	0.003	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SCO)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SCO)(H)2	H(CCCH)	109.2765	0.011	2	109.2765	0.000	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	109.2501	0.175	10	109.2501	0.031	10	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	109.3800	0.042	2	109.3800	0.002	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SMn2)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SMn2)(H)2	H(CCCH)	108.6650	0.430	2	108.6650	0.185	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SReC)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SReC)(H)2	H(CCCH)	109.1927	0.242	6	109.1927	0.059	6	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SRu2)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SRu2)(H)2	H(CCCH)	109.2445	0.179	6	109.2445	0.032	6	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	109.0847	0.456	4	109.0847	0.208	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SCW)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SCW)(H)2	H(CCCH)	109.1565	0.558	8	109.1565	0.312	8	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SCoC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SCoC)(H)2	H(CCCH)	108.1273	0.318	7	108.1273	0.101	7	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SCuC)(H)2	H(CCCH)	108.2811	1.560	10	108.2811	2.434	10	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SFe2)(H)2	H(CCCH)	108.2473	0.989	286	108.2473	0.978	286	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SFeC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SFeC)(H)2	H(CCCH)	108.4137	0.077	4	108.4137	0.006	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SMo2)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SMo2)(H)2	H(CCCH)	108.6773	0.026	3	108.6773	0.001	3	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SMoC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SMoC)(H)2	H(CCCH)	108.5705	0.098	6	108.5705	0.010	6	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SNi2)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SNi2)(H)2	H(CCCH)	108.7489	0.210	32	108.7489	0.044	32	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SNiC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SNiC)(H)2	H(CCCH)	108.4234	0.209	17	108.4234	0.044	17	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SPd2)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SPd2)(H)2	H(CCCH)	107.9802	0.421	12	107.9802	0.177	12	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SPdC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SPdC)(H)2	H(CCCH)	108.5326	0.354	29	108.5326	0.126	29	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	107.7802	0.278	4	107.7802	0.077	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SRe2)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SRe2)(H)2	H(CCCH)	108.9160	0.038	3	108.9160	0.001	3	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SRh2)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SRh2)(H)2	H(CCCH)	108.7105	0.031	4	108.7105	0.001	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SRhC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SRhC)(H)2	H(CCCH)	108.6923	0.593	15	108.6923	0.352	15	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SRu2)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SRu2)(H)2	H(CCCH)	108.5078	0.085	4	108.5078	0.007	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SRuC)(H)2	H(CCCH)	108.2818	0.604	85	108.2818	0.364	85	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SZrC)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SZrC)(H)2	H(CCCH)	108.1559	0.073	8	108.1559	0.005	8	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	H(CCCH)	108.5235	0.056	2	108.5235	0.003	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	108.7200	0.259	4	108.7200	0.067	4	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHS)(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	C(CN[5a]HH)(CHHS)(H)2	C(CCHH)(SPtC)(H)2	H(CCCH)	108.1995	0.023	2	108.1995	0.001	2	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SRh2)(H)2	H(CCCH)	C(CSiHH)(CHHS)(H)2	C(CCHH)(SRh2)(H)2	H(CCCH)	108.6759	0.119	7	108.6759	0.014	7	108.4817	0.693	796	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:	C(CSeHH)2(H)2	C(CCHH)(SeCW)(H)2	H(CCCH)	C(CSeHH)2(H)2	C(CCHH)(SeCW)(H)2	H(CCCH)	107.1460	1.322	4	107.1460	1.749	4	107.1460	1.749	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)(I)	C(CCHI)(NCS)(H)2	H(CCCI)	C(CHHN)2(H)(I)	C(CCHI)(NCS)(H)2	H(CCCI)	108.9386	0.253	8	108.9386	0.064	8	108.9472	0.056	9	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6a]HO)(CHHN)(H)(I)	C(CCHI)(NCS)(H)2	H(CCCI)	C(CN[6a]HO)(CHHN)(H)(I)	C(CCHI)(NCS)(H)2	H(CCCI)	109.0160	0.000	1	109.0160	0.000	1	108.9472	0.056	9	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	108.4869	0.534	8	108.4869	0.285	8	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	107.6745	1.508	2	107.6745	2.275	2	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	112.1137	6.272	6	112.1137	39.338	6	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	108.8992	0.203	4	108.8992	0.041	4	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.5013	1.021	12	109.5013	1.042	12	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	109.5210	0.000	1	109.5210	0.000	1	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	109.2351	0.214	7	109.2351	0.046	7	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.5814	1.240	11	109.5814	1.538	11	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CHH)(H)2	H(CCHN)	110.7060	0.052	4	110.7060	0.003	4	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	109.2919	0.127	14	109.2919	0.016	14	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	109.5852	0.978	38	109.5852	0.956	38	109.5537	3.095	107	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NC3)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.4513	0.371	26	108.4513	0.137	26	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NC3)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.2334	0.191	16	108.2334	0.037	16	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	C(CHHN)(NC3)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	107.1612	0.117	6	107.1612	0.014	6	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.4077	1.239	190	109.4077	1.536	190	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.9126	0.727	146	108.9126	0.528	146	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCN)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCN)(H)2	H(CCHN)	108.3072	0.053	5	108.3072	0.003	5	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	108.7103	0.169	4	108.7103	0.028	4	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	108.9222	1.059	9	108.9222	1.122	9	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.1995	0.394	2	109.1995	0.155	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	108.5570	0.016	2	108.5570	0.000	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	108.6809	0.641	26	108.6809	0.410	26	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCCO)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NCCO)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.9940	0.010	2	108.9940	0.000	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5536	0.914	235	109.5536	0.835	235	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.8484	1.309	185	109.8484	1.714	185	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	109.2815	0.203	4	109.2815	0.041	4	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.2596	0.399	8	109.2596	0.159	8	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	109.2805	0.185	8	109.2805	0.034	8	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	109.0464	0.199	34	109.0464	0.040	34	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHO)(H)2	C(CHHN)(NCO)(H)2	H(CCHN)	C(CHHN)(NCHO)(H)2	C(CHHN)(NCO)(H)2	H(CCHN)	108.3045	0.015	2	108.3045	0.000	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.4320	0.731	183	109.4320	0.534	183	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.5802	1.213	77	109.5802	1.471	77	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	109.7705	0.018	2	109.7705	0.000	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.0106	2.906	42	109.0106	8.442	42	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHHV)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NHHV)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.2045	0.049	2	109.2045	0.002	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHHW)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(CHHN)(NHHW)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.4980	0.006	2	109.4980	0.000	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NHHW)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(CHHN)(NHHW)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.2040	0.007	2	109.2040	0.000	2	109.3551	1.354	1220	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NC3)(H)2	C(CHHN)(OZnH)(H)2	H(CCHN)	C(CHHO)(NC3)(H)2	C(CHHN)(OZnH)(H)2	H(CCHN)	107.9645	0.063	2	107.9645	0.004	2	109.3702	2.368	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NCCW)(H)2	C(CHHN)(OCW)(H)2	H(CCHN)	C(CHHO)(NCCW)(H)2	C(CHHN)(OCW)(H)2	H(CCHN)	108.9355	0.005	2	108.9355	0.000	2	109.3702	2.368	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(NH3)(H)2	C(CHHN)(OCoH)(H)2	H(CCHN)	C(CHHO)(NH3)(H)2	C(CHHN)(OCoH)(H)2	H(CCHN)	111.2105	0.856	2	111.2105	0.733	2	109.3702	2.368	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NCCH)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	C(CHHS)(NCCH)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	109.7108	0.199	4	109.7108	0.040	4	109.3474	1.453	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SCC)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SCC)(H)2	H(CCHN)	108.1652	0.875	6	108.1652	0.765	6	109.3474	1.453	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SCoC)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SCoC)(H)2	H(CCHN)	108.8305	0.046	2	108.8305	0.002	2	109.3474	1.453	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	109.6905	0.026	2	109.6905	0.001	2	109.3474	1.453	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SMn2)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SMn2)(H)2	H(CCHN)	110.5180	1.275	6	110.5180	1.626	6	109.3474	1.453	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SPd2)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SPd2)(H)2	H(CCHN)	108.8290	0.040	2	108.8290	0.002	2	109.3474	1.453	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:O-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(OFe3)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	C(CHHN)(OFe3)(H)2	C(CHHO)(NFeC)(H)2	H(CCHO)	109.6893	0.020	6	109.6893	0.000	6	109.6893	0.000	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:O-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CHHO)(OMn3)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	C(CHHO)(OMn3)(H)2	C(CHHO)(OMnC)(H)2	H(CCHO)	109.5883	0.078	8	109.5883	0.006	8	109.5883	0.006	8	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(PCOO)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(CCHH)(PCOO)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	108.7840	0.000	1	108.7840	0.000	1	109.7110	2.256	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	109.8037	1.550	10	109.8037	2.402	10	109.7110	2.256	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(CHHP)(PCCI)(H)2	C(CHHP)(PCI)(H)2	H(CCHP)	C(CHHP)(PCCI)(H)2	C(CHHP)(PCI)(H)2	H(CCHP)	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SCOO)(H)2	C(CHHS)(CCO)(H)2	H(CCHS)	C(CCHH)(SCOO)(H)2	C(CHHS)(CCO)(H)2	H(CCHS)	109.8525	0.074	2	109.8525	0.006	2	109.8525	0.006	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SO3)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	C(CHHN)(SO3)(H)2	C(CHHS)(NCC)(H)2	H(CCHS)	107.6075	4.771	4	107.6075	22.765	4	108.6851	5.043	16	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SO3)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(CHHN)(SO3)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	109.0062	0.429	4	109.0062	0.184	4	108.6851	5.043	16	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SO3)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	C(CHHN)(SO3)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	108.9892	0.168	4	108.9892	0.028	4	108.6851	5.043	16	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SO3)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	C(CHHN)(SO3)(H)2	C(CHHS)(NNiC)(H)2	H(CCHS)	108.7950	0.021	2	108.7950	0.000	2	108.6851	5.043	16	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SOOS)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	C(CHHN)(SOOS)(H)2	C(CHHS)(NCuC)(H)2	H(CCHS)	109.4800	0.051	2	109.4800	0.003	2	108.6851	5.043	16	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CRhO)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CRhO)(H)2	H(CSiCH)	109.6570	0.085	2	109.6570	0.007	2	108.8546	0.346	8	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(COO)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(COO)(H)2	H(CSiCH)	108.5872	0.373	6	108.5872	0.139	6	108.8546	0.346	8	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CC[3,5]HH)(CCH)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CC[3,5]HH)(CCH)(H)2	H(CC[3,5]CH)	109.2027	0.183	7	109.2027	0.033	7	109.2027	0.033	7	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3,6]C[3,6,6]C[3]C[6])(CCHH)(H)2	C(CC[3,6]HH)(COO)(H)2	H(CC[3,6]CH)	C(C[3,6]C[3,6,6]C[3]C[6])(CCHH)(H)2	C(CC[3,6]HH)(COO)(H)2	H(CC[3,6]CH)	108.8385	0.004	2	108.8385	0.000	2	108.7583	0.276	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3,6]C[3,6,6]C[5,6]C[3])(CCHH)(H)2	C(CC[3,6]HH)(COO)(H)2	H(CC[3,6]CH)	C(C[3,6]C[3,6,6]C[5,6]C[3])(CCHH)(H)2	C(CC[3,6]HH)(COO)(H)2	H(CC[3,6]CH)	108.6780	0.895	2	108.6780	0.801	2	108.7583	0.276	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	C(CC[3,6]HH)(NCS)(H)2	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[3]C[6])(CHHN)(H)2	C(CC[3,6]HH)(NCS)(H)2	H(CC[3,6]CH)	107.8175	0.006	2	107.8175	0.000	2	107.8175	0.000	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3,5]2C)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	C(C[3]C[3,5]2C)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	108.8335	0.033	2	108.8335	0.001	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	109.0775	0.028	2	109.0775	0.001	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCC)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCC)(H)2	H(CC[3]CH)	108.5816	0.108	7	108.5816	0.012	7	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	108.9068	0.185	4	108.9068	0.034	4	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[6a]C)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[6a]C)(H)2	H(CC[3]CH)	109.1400	0.000	1	109.1400	0.000	1	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[4]C)(H)2	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[4]C)(H)2	H(CC[3]CH)	109.5773	0.021	3	109.5773	0.000	3	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCC)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCC)(H)2	H(CC[3]CH)	108.7463	0.161	4	108.7463	0.026	4	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	109.2068	0.382	76	109.2068	0.146	76	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCC)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCC)(H)2	H(CC[3]CH)	109.2571	0.245	14	109.2571	0.060	14	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCH)(H)2	H(CC[3]CH)	110.3405	1.684	2	110.3405	2.835	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCO)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCO)(H)2	H(CC[3]CH)	108.2770	0.028	2	108.2770	0.001	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[5]O)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[5]O)(H)2	H(CC[3]CH)	109.3505	4.101	2	109.3505	16.814	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[6]C)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[6]C)(H)2	H(CC[3]CH)	109.3425	0.015	2	109.3425	0.000	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CNO)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CNO)(H)2	H(CC[3]CH)	109.2260	0.041	2	109.2260	0.002	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(COO)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(COO)(H)2	H(CC[3]CH)	109.2831	0.106	14	109.2831	0.011	14	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[6a]C[3]2)(CCHH)(H)2	C(CC[3]HH)(CCO)(H)2	H(CC[3]CH)	C(C[3]C[6a]C[3]2)(CCHH)(H)2	C(CC[3]HH)(CCO)(H)2	H(CC[3]CH)	109.0270	0.057	2	109.0270	0.003	2	109.1711	0.296	139	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3x5]-4:C-4:H-1:H-1:	C-4:C[5]-3:H-1:H-1:	C-4:	C(C[3x5]C[5,5]3)(CC[5]HH)(H)2	C(CC[3x5]HH)(C[5]C[5]2)(H)2	H(CC[3x5]CH)	C(C[3x5]C[5,5]3)(CC[5]HH)(H)2	C(CC[3x5]HH)(C[5]C[5]2)(H)2	H(CC[3x5]CH)	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C(CC[3x6]HH)(COO)(H)2	H(CC[3x6]CH)	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C(CC[3x6]HH)(COO)(H)2	H(CC[3x6]CH)	108.2060	0.031	2	108.2060	0.001	2	108.2060	0.001	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4,4,4x6]-4:C-4:H-1:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[4,4,4x6]C[4,4,4x6]C[3x4,6]C[4,4x6])(CC[6a]HH)(H)2	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[4,4,4x6]CH)	C(C[4,4,4x6]C[4,4,4x6]C[3x4,6]C[4,4x6])(CC[6a]HH)(H)2	C(CC[4,4,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[4,4,4x6]CH)	107.6310	0.013	2	107.6310	0.000	2	107.6310	0.000	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4,5,5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(CCHH)(H)2	C(CC[4,5,5,6]HH)(CCH)(H)2	H(CC[4,5,5,6]CH)	C(C[4,5,5,6]C[4,5,5,6]C[4,3x5]C[5,6])(CCHH)(H)2	C(CC[4,5,5,6]HH)(CCH)(H)2	H(CC[4,5,5,6]CH)	111.4640	1.334	2	111.4640	1.778	2	111.4640	1.778	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4,5,5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4,5,5]C[4,5]2N[5,5])(CCHH)(H)2	C(CC[4,5,5]HH)(COO)(H)2	H(CC[4,5,5]CH)	C(C[4,5,5]C[4,5]2N[5,5])(CCHH)(H)2	C(CC[4,5,5]HH)(COO)(H)2	H(CC[4,5,5]CH)	108.7380	0.030	2	108.7380	0.001	2	108.7380	0.001	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[4,5]C[4,4x5,6]C[4,5,5,6]H)(CHHN)(H)2	C(CC[4,5]HH)(NCC)(H)2	H(CC[4,5]CH)	C(C[4,5]C[4,4x5,6]C[4,5,5,6]H)(CHHN)(H)2	C(CC[4,5]HH)(NCC)(H)2	H(CC[4,5]CH)	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCH)(H)2	H(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCH)(H)2	H(CC[4]CH)	108.9110	0.125	3	108.9110	0.016	3	108.8580	0.096	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CC[4]HH)(COO)(H)2	H(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CC[4]HH)(COO)(H)2	H(CC[4]CH)	108.7640	0.004	2	108.7640	0.000	2	108.8580	0.096	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CCC)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CCC)(H)2	H(CC[4]CH)	108.6231	0.128	8	108.6231	0.016	8	108.8580	0.096	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CCO)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CCO)(H)2	H(CC[4]CH)	109.0895	0.392	8	109.0895	0.154	8	108.8580	0.096	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CCH)(H)2	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CCH)(H)2	H(CC[4]CH)	109.1020	0.000	1	109.1020	0.000	1	108.8580	0.096	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(COO)(H)2	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(COO)(H)2	H(CC[4]CH)	108.7635	0.151	2	108.7635	0.023	2	108.8580	0.096	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	C(CC[5,5,6]HH)(C[6a]C[6a]2)(H)2	H(CC[5,5,6]CH)	109.1845	0.018	2	109.1845	0.000	2	109.1845	0.000	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	C(CC[5,5]HH)(CC[6a]O)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	C(CC[5,5]HH)(CC[6a]O)(H)2	H(CC[5,5]CH)	108.7190	0.042	2	108.7190	0.002	2	108.7190	0.002	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	C(CC[5,5]HH)(NCC)(H)2	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	C(CC[5,5]HH)(NCC)(H)2	H(CC[5,5]CH)	108.3355	2.036	2	108.3355	4.144	2	108.3355	4.144	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C(CC[5,6,6]HH)(CCH)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C(CC[5,6,6]HH)(CCH)(H)2	H(CC[5,6,6]CH)	108.6082	0.042	4	108.6082	0.002	4	108.6082	0.002	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	H(CC[5,6,6]CH)	107.6950	1.878	2	107.6950	3.527	2	108.4202	1.877	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	C(CC[5,6,6]HH)(N[5]C[5]2)(H)2	H(CC[5,6,6]CH)	109.1455	0.005	2	109.1455	0.000	2	108.4202	1.877	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	108.3945	0.033	2	108.3945	0.001	2	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	108.7770	0.052	2	108.7770	0.003	2	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C(CC[5,6]HH)(CC[6a]O)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C(CC[5,6]HH)(CC[6a]O)(H)2	H(CC[5,6]CH)	109.1517	0.113	4	109.1517	0.013	4	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CC[4]C)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CC[4]C)(H)2	H(CC[5,6]CH)	108.0687	0.161	8	108.0687	0.026	8	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	106.7935	0.193	2	106.7935	0.037	2	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CC[4]C)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CC[4]C)(H)2	H(CC[5,6]CH)	108.0970	0.000	1	108.0970	0.000	1	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CC[5]C)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CC[5]C)(H)2	H(CC[5,6]CH)	108.3645	0.012	2	108.3645	0.000	2	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	C(CC[5,6]HH)(CCH)(H)2	H(CC[5,6]CH)	108.7632	0.122	4	108.7632	0.015	4	108.3586	0.395	25	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C(CC[5,6]HH)(NCC)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C(CC[5,6]HH)(NCC)(H)2	H(CC[5,6]CH)	108.6610	0.030	2	108.6610	0.001	2	109.3561	3.911	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NCC)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NCC)(H)2	H(CC[5,6]CH)	111.3562	3.072	4	111.3562	9.436	4	109.3561	3.911	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NCH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NCH)(H)2	H(CC[5,6]CH)	108.4762	0.031	4	108.4762	0.001	4	109.3561	3.911	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NCS)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C(CC[5,6]HH)(NCS)(H)2	H(CC[5,6]CH)	108.7180	0.011	2	108.7180	0.000	2	109.3561	3.911	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C(CC[5,6]HH)(NHS)(H)2	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C(CC[5,6]HH)(NHS)(H)2	H(CC[5,6]CH)	108.4490	0.047	2	108.4490	0.002	2	109.3561	3.911	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	C(CC[5,6]HH)(N[5]C[5]2)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	C(CC[5,6]HH)(N[5]C[5]2)(H)2	H(CC[5,6]CH)	107.6615	0.022	2	107.6615	0.000	2	107.6615	0.000	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C(CC[5,6]HH)(N[6]C[6]2)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C(CC[5,6]HH)(N[6]C[6]2)(H)2	H(CC[5,6]CH)	107.5410	0.366	11	107.5410	0.134	11	107.5410	0.134	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCH)(H)2	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCH)(H)2	H(CC[5]BrC)	107.4278	0.183	5	107.4278	0.033	5	107.4278	0.033	5	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:B-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CBHH)(H)2	C(CC[5]HH)(BC[6a]2)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CBHH)(H)2	C(CC[5]HH)(BC[6a]2)(H)2	H(CC[5]CH)	108.7020	0.025	2	108.7020	0.001	2	108.7020	0.001	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	107.6628	0.053	4	107.6628	0.003	4	107.7439	0.335	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	108.7300	0.010	2	108.7300	0.000	2	107.7439	0.335	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[5]C[5]2C)(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	107.4841	0.404	14	107.4841	0.163	14	107.7439	0.335	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[5]C[5]O[5]H)(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCFF)(H)2	C(CC[5]HH)(COO)(F)2	H(CC[5]CH)	108.7385	0.026	2	108.7385	0.001	2	107.7439	0.335	22	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	108.5535	0.011	2	108.5535	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	109.6100	2.210	4	109.6100	4.885	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.4870	0.008	2	108.4870	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.4670	0.000	1	108.4670	0.000	1	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	109.1230	0.011	2	109.1230	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	109.0680	0.074	2	109.0680	0.005	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	108.9722	0.208	6	108.9722	0.043	6	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.8140	0.246	4	108.8140	0.060	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C(CC[5]HH)(CHH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C(CC[5]HH)(CHH)(H)2	H(CC[5]CH)	108.4290	0.069	2	108.4290	0.005	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	107.7900	0.645	3	107.7900	0.416	3	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.8110	0.000	1	108.8110	0.000	1	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CC[5]O)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CC[5]O)(H)2	H(CC[5]CH)	108.2025	0.028	2	108.2025	0.001	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CC[6]O)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CC[6]O)(H)2	H(CC[5]CH)	107.8050	0.000	1	107.8050	0.000	1	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CC[6a]O)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CC[6a]O)(H)2	H(CC[5]CH)	108.0418	0.040	4	108.0418	0.002	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	109.0383	0.151	3	109.0383	0.023	3	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	110.7115	1.938	2	110.7115	3.757	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.9333	0.125	4	108.9333	0.016	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	107.0770	0.247	2	107.0770	0.061	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.5290	0.000	1	108.5290	0.000	1	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	108.7389	0.102	13	108.7389	0.010	13	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.5395	0.083	2	108.5395	0.007	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CHH)(H)2	H(CC[5]CH)	109.9090	0.375	2	109.9090	0.140	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.2913	0.186	4	108.2913	0.035	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	109.1275	0.022	2	109.1275	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C(CC[5]HH)(CC[6a]C)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C(CC[5]HH)(CC[6a]C)(H)2	H(CC[5]CH)	108.3210	0.062	2	108.3210	0.004	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.5430	0.045	2	108.5430	0.002	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.1147	0.843	27	108.1147	0.710	27	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CC[5]C)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CC[5]C)(H)2	H(CC[5]CH)	108.2465	0.026	2	108.2465	0.001	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CC[6a]O)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CC[6a]O)(H)2	H(CC[5]CH)	108.5897	0.317	10	108.5897	0.100	10	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CNO)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CNO)(H)2	H(CC[5]CH)	108.3764	0.119	10	108.3764	0.014	10	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	108.8978	0.231	4	108.8978	0.053	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(COS)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(COS)(H)2	H(CC[5]CH)	108.5330	0.069	2	108.5330	0.005	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.4723	0.052	4	108.4723	0.003	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]C)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]C)(H)2	H(CC[5]CH)	108.2275	0.090	2	108.2275	0.008	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]O)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]O)(H)2	H(CC[5]CH)	108.7055	0.005	2	108.7055	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CN[6]O)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CN[6]O)(H)2	H(CC[5]CH)	109.7127	0.051	4	109.7127	0.003	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	108.8705	0.008	2	108.8705	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	108.5174	0.930	36	108.5174	0.864	36	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	109.6897	1.329	6	109.6897	1.766	6	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.5428	1.548	9	108.5428	2.395	9	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[5]C)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[5]C)(H)2	H(CC[5]CH)	108.9963	0.315	29	108.9963	0.099	29	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[5]H)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[5]H)(H)2	H(CC[5]CH)	107.4330	0.007	2	107.4330	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CNO)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CNO)(H)2	H(CC[5]CH)	108.7026	0.392	30	108.7026	0.154	30	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	108.9008	0.445	30	108.9008	0.198	30	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Mo)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mo)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	107.4250	4.397	2	107.4250	19.332	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Ni)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ni)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.6412	0.034	4	108.6412	0.001	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	108.3177	0.183	3	108.3177	0.033	3	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CHH)(H)2	H(CC[5]CH)	109.4755	0.005	2	109.4755	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	108.6755	0.432	4	108.6755	0.187	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.2797	0.147	4	108.2797	0.022	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5a]O)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5a]O)(H)2	H(CC[5]CH)	108.9047	0.280	3	108.9047	0.078	3	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(COO)(H)2	H(CC[5]CH)	109.2361	0.394	9	109.2361	0.155	9	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCC)(H)2	H(CC[5]CH)	108.3270	0.011	2	108.3270	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CBrC)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CBrC)(H)2	H(CC[5]CH)	108.5985	0.016	2	108.5985	0.000	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCH)(H)2	H(CC[5]CH)	108.7495	0.364	4	108.7495	0.132	4	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	109.8781	0.925	7	109.8781	0.855	7	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.1035	0.043	2	108.1035	0.002	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CCO)(H)2	H(CC[5]CH)	108.7429	0.158	16	108.7429	0.025	16	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CN[5]O)(H)2	H(CC[5]CH)	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CN[5]O)(H)2	H(CC[5]CH)	109.9330	1.512	2	109.9330	2.286	2	108.7136	0.631	352	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	108.4964	0.228	5	108.4964	0.052	5	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	109.3045	0.019	2	109.3045	0.000	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	108.6885	0.028	4	108.6885	0.001	4	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C(CC[5]HH)(NCS)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C(CC[5]HH)(NCS)(H)2	H(CC[5]CH)	108.6050	0.000	1	108.6050	0.000	1	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	108.6770	0.020	2	108.6770	0.000	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	108.2385	0.008	2	108.2385	0.000	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	109.0318	0.028	4	109.0318	0.001	4	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	108.5510	0.006	2	108.5510	0.000	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	108.5164	0.291	5	108.5164	0.085	5	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	109.9645	0.073	2	109.9645	0.005	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	C(CC[5]HH)(NCS)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	C(CC[5]HH)(NCS)(H)2	H(CC[5]CH)	108.6277	0.112	12	108.6277	0.012	12	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	C(CC[5]HH)(NC[6]S)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	C(CC[5]HH)(NC[6]S)(H)2	H(CC[5]CH)	108.7723	0.069	3	108.7723	0.005	3	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	109.0595	0.011	2	109.0595	0.000	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	109.1740	1.313	4	109.1740	1.725	4	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CHHN)(H)2	C(CC[5]HH)(NIrS)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CHHN)(H)2	C(CC[5]HH)(NIrS)(H)2	H(CC[5]CH)	109.3557	0.150	6	109.3557	0.023	6	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Mo)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	109.8445	0.005	2	109.8445	0.000	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhS)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhS)(H)2	H(CC[5]CH)	109.1243	0.734	4	109.1243	0.539	4	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	109.1020	0.059	2	109.1020	0.004	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]O)(CHHN)(H)2	C(CC[5]HH)(NC[6a]C)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CHHN)(H)2	C(CC[5]HH)(NC[6a]C)(H)2	H(CC[5]CH)	108.4810	0.027	2	108.4810	0.001	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHN)(H)2	C(CC[5]HH)(NCC)(H)2	H(CC[5]CH)	108.6410	0.091	2	108.6410	0.008	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C(CC[5]HH)(NCH)(H)2	H(CC[5]CH)	108.1065	0.016	2	108.1065	0.000	2	108.8524	0.283	70	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Eu)(CHHO)(H)2	C(CC[5]HH)(OEuC)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Eu)(CHHO)(H)2	C(CC[5]HH)(OEuC)(H)2	H(CC[5]CH)	108.0085	0.329	8	108.0085	0.108	8	108.6456	0.689	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Ti)(CHHO)(H)2	C(CC[5]HH)(OTiC)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ti)(CHHO)(H)2	C(CC[5]HH)(OTiC)(H)2	H(CC[5]CH)	109.4560	0.016	2	109.4560	0.000	2	108.6456	0.689	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[5]C[5]2Ti)(CHHO)(H)2	C(CC[5]HH)(OTiC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ti)(CHHO)(H)2	C(CC[5]HH)(OTiC)(H)2	H(CC[5]CH)	109.9055	0.028	2	109.9055	0.001	2	108.6456	0.689	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CHHO)(H)2	C(CC[5]HH)(OZrC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Zr)(CHHO)(H)2	C(CC[5]HH)(OZrC)(H)2	H(CC[5]CH)	109.1235	0.012	2	109.1235	0.000	2	108.6456	0.689	14	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHP)(H)2	C(CC[5]HH)(PC[6a]2)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHP)(H)2	C(CC[5]HH)(PC[6a]2)(H)2	H(CC[5]CH)	108.9915	0.047	2	108.9915	0.002	2	109.0261	0.057	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PCC)(H)2	H(CC[5]CH)	109.1342	0.323	5	109.1342	0.104	5	109.0261	0.057	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PCW)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PCW)(H)2	H(CC[5]CH)	108.9082	0.111	4	108.9082	0.012	4	109.0261	0.057	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-3:Cl-1:H-1:	C-4:	C(C[5]O[5]2H)(CClHS)(H)2	C(CC[5]HH)(SC[6a]O)(Cl)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CClHS)(H)2	C(CC[5]HH)(SC[6a]O)(Cl)(H)	H(CC[5]CH)	109.2725	3.737	4	109.2725	13.962	4	109.2725	13.962	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CHHS)(H)2	C(CC[5]HH)(SC[6a]O)(H)2	H(CC[5]CH)	C(C[5]O[5]2H)(CHHS)(H)2	C(CC[5]HH)(SC[6a]O)(H)2	H(CC[5]CH)	109.7285	1.002	2	109.7285	1.004	2	109.7285	1.004	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C(CC[5]HI)(NC[6a]C)(H)2	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C(CC[5]HI)(NC[6a]C)(H)2	H(CC[5]CI)	108.2755	0.367	2	108.2755	0.135	2	108.2755	0.135	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:O-1:	C-4:C-3:Br-1:F-1:	C-4:	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	C(CC[5]HO)(COO)(Br)(F)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	C(CC[5]HO)(COO)(Br)(F)	H(CC[5]CO)	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	C(CC[6,6]HH)(COO)(F)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCFF)(H)2	C(CC[6,6]HH)(COO)(F)2	H(CC[6,6]CH)	107.5040	0.041	2	107.5040	0.002	2	107.5040	0.002	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	C(CC[6,6]HH)(CCH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	C(CC[6,6]HH)(CCH)(H)2	H(CC[6,6]CH)	108.6065	4.388	2	108.6065	19.251	2	108.6065	19.251	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C[5]-3:H-1:H-1:	C-4:	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	C(CC[6,6]HH)(C[5]C[5]2)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]2H)(CC[5]HH)(H)2	C(CC[6,6]HH)(C[5]C[5]2)(H)2	H(CC[6,6]CH)	109.0175	0.026	2	109.0175	0.001	2	109.0175	0.001	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	C(CC[6,6]HH)(NC[6]O)(H)2	H(CC[6,6]CH)	C(C[6,6]C[5a,6,6]C[6]2)(CHHN)(H)2	C(CC[6,6]HH)(NC[6]O)(H)2	H(CC[6,6]CH)	108.5305	0.022	2	108.5305	0.000	2	108.2537	0.102	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	C(CC[6,6]HH)(NC[6]C)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6a]C[6,6]C[6])(CHHN)(H)2	C(CC[6,6]HH)(NC[6]C)(H)2	H(CC[6,6]CH)	107.9770	0.013	2	107.9770	0.000	2	108.2537	0.102	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	C(CC[6]HH)(COO)(F)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCFF)(H)2	C(CC[6]HH)(COO)(F)2	H(CC[6]CH)	107.8570	0.042	2	107.8570	0.002	2	107.8570	0.002	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	107.2060	0.004	2	107.2060	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	C(C[6]C[3x6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	108.6670	0.007	2	108.6670	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[4]C[6]O[6])(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	107.9734	0.150	9	107.9734	0.022	9	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.0665	0.046	4	108.0665	0.002	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	107.9767	0.045	4	107.9767	0.002	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.4018	0.631	4	108.4018	0.399	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	108.3425	0.896	4	108.3425	0.802	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.6382	0.419	6	108.6382	0.175	6	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[5]C)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[5]C)(H)2	H(CC[6]CH)	107.9300	0.011	2	107.9300	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.8660	0.302	4	108.8660	0.091	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.2450	0.018	2	108.2450	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	107.7755	0.016	2	107.7755	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.4790	0.326	4	108.4790	0.107	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.7760	0.007	2	108.7760	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	109.8575	0.008	2	109.8575	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	109.3720	0.059	2	109.3720	0.004	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	107.9486	0.924	23	107.9486	0.854	23	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	107.8902	0.301	14	107.8902	0.090	14	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	107.2355	0.040	2	107.2355	0.002	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	107.7726	0.912	19	107.7726	0.832	19	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	109.0816	2.171	12	109.0816	4.713	12	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	109.4262	2.519	6	109.4262	6.345	6	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.9935	0.015	2	108.9935	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[4]C)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[4]C)(H)2	H(CC[6]CH)	108.1190	0.948	4	108.1190	0.898	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[5]C)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[5]C)(H)2	H(CC[6]CH)	107.4883	0.660	11	107.4883	0.436	11	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.4820	0.885	2	108.4820	0.784	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.1836	0.339	10	108.1836	0.115	10	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	109.9790	1.512	2	109.9790	2.286	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.4100	0.016	4	108.4100	0.000	4	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	109.4125	0.006	2	109.4125	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	109.7045	0.012	2	109.7045	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.2380	0.000	1	108.2380	0.000	1	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	108.1363	0.665	22	108.1363	0.442	22	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.4893	0.795	19	108.4893	0.633	19	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCN)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCN)(H)2	H(CC[6]CH)	108.6750	0.013	2	108.6750	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.1482	0.100	5	108.1482	0.010	5	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	108.7523	0.510	6	108.7523	0.260	6	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	108.0645	0.033	2	108.0645	0.001	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	107.6565	0.019	2	107.6565	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	109.2131	0.321	27	109.2131	0.103	27	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.3013	1.656	17	108.3013	2.743	17	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.4080	0.000	1	108.4080	0.000	1	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC[4]C)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC[4]C)(H)2	H(CC[6]CH)	108.3708	0.877	25	108.3708	0.769	25	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC[4]O)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC[4]O)(H)2	H(CC[6]CH)	108.1578	0.621	6	108.1578	0.385	6	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	108.7880	0.426	24	108.7880	0.182	24	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.9129	0.418	17	108.9129	0.174	17	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2N)(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	C(C[6]C[6]2N)(CCHH)(H)2	C(CC[6]HH)(CC[6a]O)(H)2	H(CC[6]CH)	108.3760	0.028	2	108.3760	0.001	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2N)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6]2N)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.1935	0.022	2	108.1935	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.4205	0.008	2	108.4205	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CCO)(H)2	H(CC[6]CH)	108.8890	0.000	1	108.8890	0.000	1	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.9155	0.006	2	108.9155	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.4735	0.022	2	108.4735	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]O)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]O)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	110.4725	0.412	2	110.4725	0.170	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	108.2810	0.000	1	108.2810	0.000	1	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.1347	0.354	30	108.1347	0.125	30	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCC)(H)2	H(CC[6]CH)	108.5541	0.815	8	108.5541	0.664	8	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCH)(H)2	H(CC[6]CH)	108.3430	0.006	2	108.3430	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CNO)(H)2	H(CC[6]CH)	108.7310	0.000	1	108.7310	0.000	1	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.9910	0.008	2	108.9910	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CCHH)(H)2	C(CC[6]HH)(COO)(H)2	H(CC[6]CH)	108.5300	0.011	2	108.5300	0.000	2	108.4186	0.863	405	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CHHN)(H)2	C(CC[6]HH)(NCS)(H)2	H(CC[6]CH)	C(C[6]C[6]2Cr)(CHHN)(H)2	C(CC[6]HH)(NCS)(H)2	H(CC[6]CH)	107.2405	0.855	2	107.2405	0.731	2	108.6562	1.092	12	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	108.0435	0.467	2	108.0435	0.218	2	108.6562	1.092	12	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NCO)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NCO)(H)2	H(CC[6]CH)	108.2780	0.007	2	108.2780	0.000	2	108.6562	1.092	12	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NC[6a]2)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NC[6a]2)(H)2	H(CC[6]CH)	108.6350	0.006	2	108.6350	0.000	2	108.6562	1.092	12	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHN)(H)2	C(CC[6]HH)(NCH)(H)2	H(CC[6]CH)	110.0370	0.030	2	110.0370	0.001	2	108.6562	1.092	12	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CHHN)(H)2	C(CC[6]HH)(NRuS)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHN)(H)2	C(CC[6]HH)(NRuS)(H)2	H(CC[6]CH)	109.7035	0.078	2	109.7035	0.006	2	108.6562	1.092	12	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	Ga-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(GaCl2P)(CCHH)(H)2	C(CGaHH)(CCC)(H)2	H(CGaCH)	C(GaCl2P)(CCHH)(H)2	C(CGaHH)(CCC)(H)2	H(CGaCH)	109.0485	0.204	2	109.0485	0.042	2	109.0485	0.042	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NCoCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	107.9725	0.057	2	107.9725	0.003	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	C(NCoCH)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	110.2465	2.760	2	110.2465	7.617	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCrCO)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NCrCO)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.2873	0.029	3	108.2873	0.001	3	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.1626	1.287	5	108.1626	1.656	5	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	108.3470	0.023	2	108.3470	0.001	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NCuCH)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	108.9210	0.013	2	108.9210	0.000	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NFeCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NFeCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.4805	0.050	2	108.4805	0.003	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NFeCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NFeCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	108.4550	0.265	3	108.4550	0.070	3	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NLiCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NLiCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.5385	0.012	2	108.5385	0.000	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NMnCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NMnCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	108.4120	0.035	2	108.4120	0.001	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NMnHH)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	C(NMnHH)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	106.0220	2.315	2	106.0220	5.360	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NMoCC)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	C(NMoCC)(CCHH)(H)2	C(CHHN)(CCH)(H)2	H(CCHN)	108.3080	0.065	2	108.3080	0.004	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	108.5665	0.063	2	108.5665	0.004	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.4891	0.244	7	108.4891	0.059	7	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	108.2391	0.292	15	108.2391	0.085	15	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	C(NNiCH)(CCHH)(H)2	C(CHHN)(CHN)(H)2	H(CCHN)	107.3790	5.364	2	107.3790	28.774	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NNiCH)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.7275	0.045	2	108.7275	0.002	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NPdCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NPdCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.2800	0.362	4	108.2800	0.131	4	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CHHN)(CNO)(H)2	H(CCHN)	108.1575	0.009	2	108.1575	0.000	2	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CHHN)(COO)(H)2	H(CCHN)	108.3240	0.260	3	108.3240	0.067	3	108.3076	1.115	66	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NAgCC)(CHHN)(H)2	C(CHHN)(NAgC)(H)2	H(CCHN)	C(NAgCC)(CHHN)(H)2	C(CHHN)(NAgC)(H)2	H(CCHN)	109.0734	0.254	7	109.0734	0.065	7	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NAlCC)(CHHN)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	C(NAlCC)(CHHN)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	109.6641	0.364	25	109.6641	0.132	25	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NAlCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NAlCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	107.9908	0.456	24	107.9908	0.208	24	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NBeHH)(CHHN)(H)2	C(CHHN)(NBeH)(H)2	H(CCHN)	C(NBeHH)(CHHN)(H)2	C(CHHN)(NBeH)(H)2	H(CCHN)	107.3875	0.320	2	107.3875	0.103	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NBeHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(NBeHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.5387	1.727	8	109.5387	2.982	8	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]AlC)(CHHN)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	C(NC[6a]AlC)(CHHN)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	109.5210	0.013	2	109.5210	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]AlH)(CHHN)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	C(NC[6a]AlH)(CHHN)(H)2	C(CHHN)(NAlC)(H)2	H(CCHN)	110.3910	0.028	2	110.3910	0.001	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]CrH)(CHHN)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	C(NC[6a]CrH)(CHHN)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	110.2627	0.056	4	110.2627	0.003	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]NiH)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(NC[6a]NiH)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	109.9590	0.007	2	109.9590	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NC[6a]ZnH)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(NC[6a]ZnH)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	109.7350	0.010	2	109.7350	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCaCC)(CHHN)(H)2	C(CHHN)(NCaC)(H)2	H(CCHN)	C(NCaCC)(CHHN)(H)2	C(CHHN)(NCaC)(H)2	H(CCHN)	109.0103	0.801	13	109.0103	0.641	13	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCdCC)(CHHN)(H)2	C(CHHN)(NCdC)(H)2	H(CCHN)	C(NCdCC)(CHHN)(H)2	C(CHHN)(NCdC)(H)2	H(CCHN)	108.7170	1.622	10	108.7170	2.630	10	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.0870	0.062	2	109.0870	0.004	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	108.9910	0.092	2	108.9910	0.008	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	109.2989	0.942	48	109.2989	0.886	48	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoCH)(CHHN)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	C(NCoCH)(CHHN)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	110.1281	1.621	68	110.1281	2.628	68	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoCH)(CHHN)(H)2	C(CHHN)(NCoH)(H)2	H(CCHN)	C(NCoCH)(CHHN)(H)2	C(CHHN)(NCoH)(H)2	H(CCHN)	110.1360	2.180	4	110.1360	4.751	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.8875	0.135	2	108.8875	0.018	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCoC)(H)2	H(CCHN)	110.2516	0.803	20	110.2516	0.645	20	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCoH)(H)2	H(CCHN)	C(NCoHH)(CHHN)(H)2	C(CHHN)(NCoH)(H)2	H(CCHN)	110.3270	0.027	2	110.3270	0.001	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCrCH)(CHHN)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	C(NCrCH)(CHHN)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	110.0080	0.171	15	110.0080	0.029	15	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCrHH)(CHHN)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	C(NCrHH)(CHHN)(H)2	C(CHHN)(NCrC)(H)2	H(CCHN)	110.0640	0.033	3	110.0640	0.001	3	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.3326	0.567	9	108.3326	0.321	9	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	109.5408	0.345	139	109.5408	0.119	139	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCuH)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCuH)(H)2	H(CCHN)	109.3400	1.023	6	109.3400	1.046	6	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCuP)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCuP)(H)2	H(CCHN)	109.5184	0.264	19	109.5184	0.070	19	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(CHHN)(NHS)(H)2	H(CCHN)	107.5715	0.042	2	107.5715	0.002	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.7390	0.021	2	108.7390	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	110.0448	0.582	60	110.0448	0.338	60	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(CHHN)(NCuH)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(CHHN)(NCuH)(H)2	H(CCHN)	110.0550	0.000	1	110.0550	0.000	1	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuHH)(CHHN)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	C(NCuHH)(CHHN)(H)2	C(CHHN)(NCuC)(H)2	H(CCHN)	109.4442	2.911	6	109.4442	8.477	6	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCuHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(NCuHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.0305	0.005	2	109.0305	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.3015	0.021	2	108.3015	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	109.6528	0.874	62	109.6528	0.765	62	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(CHHN)(NFeS)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(CHHN)(NFeS)(H)2	H(CCHN)	109.6901	0.250	31	109.6901	0.063	31	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NFeCH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NFeCH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	110.3300	0.489	2	110.3300	0.239	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NFeCH)(CHHN)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	C(NFeCH)(CHHN)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	109.8346	0.677	281	109.8346	0.458	281	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NFeCH)(CHHN)(H)2	C(CHHN)(NFeH)(H)2	H(CCHN)	C(NFeCH)(CHHN)(H)2	C(CHHN)(NFeH)(H)2	H(CCHN)	109.9280	0.028	2	109.9280	0.001	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NFeHH)(CHHN)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	C(NFeHH)(CHHN)(H)2	C(CHHN)(NFeC)(H)2	H(CCHN)	110.0323	0.029	3	110.0323	0.001	3	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NGaCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.7453	0.120	7	109.7453	0.014	7	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NGeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NGeCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.5767	0.165	7	109.5767	0.027	7	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NHgCC)(CHHN)(H)2	C(CHHN)(NHgC)(H)2	H(CCHN)	C(NHgCC)(CHHN)(H)2	C(CHHN)(NHgC)(H)2	H(CCHN)	109.0895	0.044	4	109.0895	0.002	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NInCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NInCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.7870	0.397	4	108.7870	0.158	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NInHH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NInHH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	107.2750	0.059	2	107.2750	0.004	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NInHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(NInHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.4990	0.145	4	109.4990	0.021	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NIn[5]CC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NIn[5]CC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.3902	0.056	4	109.3902	0.003	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NIrCH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NIrCH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.1490	0.359	12	109.1490	0.129	12	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NIrHH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NIrHH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.0255	0.011	2	109.0255	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NIrHH)(CHHN)(H)2	C(CHHN)(NIrS)(H)2	H(CCHN)	C(NIrHH)(CHHN)(H)2	C(CHHN)(NIrS)(H)2	H(CCHN)	110.8847	1.186	4	110.8847	1.407	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NLiCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NLiCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.5736	0.413	10	108.5736	0.171	10	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NLiCH)(CHHN)(H)2	C(CHHN)(NLiC)(H)2	H(CCHN)	C(NLiCH)(CHHN)(H)2	C(CHHN)(NLiC)(H)2	H(CCHN)	109.2165	1.315	6	109.2165	1.728	6	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMg2C)(CHHN)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	C(NMg2C)(CHHN)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	108.9303	0.026	4	108.9303	0.001	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMgCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NMgCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.0315	0.040	4	108.0315	0.002	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMgCC)(CHHN)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	C(NMgCC)(CHHN)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	109.6892	1.918	17	109.6892	3.679	17	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMgCH)(CHHN)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	C(NMgCH)(CHHN)(H)2	C(CHHN)(NMgC)(H)2	H(CCHN)	109.7425	0.032	2	109.7425	0.001	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.8450	0.863	3	108.8450	0.744	3	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	109.4200	0.938	33	109.4200	0.879	33	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMnCH)(CHHN)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	C(NMnCH)(CHHN)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	109.6983	0.268	39	109.6983	0.072	39	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMnHH)(CHHN)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	C(NMnHH)(CHHN)(H)2	C(CHHN)(NMnC)(H)2	H(CCHN)	109.9955	0.071	4	109.9955	0.005	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NMoHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(NMoHH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.3810	0.000	1	109.3810	0.000	1	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNi2C)(CHHN)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	C(NNi2C)(CHHN)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	109.8953	0.080	4	109.8953	0.006	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(CHHN)(NCS)(H)2	H(CCHN)	108.6497	0.256	4	108.6497	0.066	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	108.0094	2.525	8	108.0094	6.378	8	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	109.6856	0.530	42	109.6856	0.281	42	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(CHHN)(NNiH)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(CHHN)(NNiH)(H)2	H(CCHN)	109.1270	0.000	1	109.1270	0.000	1	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	107.3034	6.332	4	107.3034	40.098	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	108.8681	0.223	24	108.8681	0.050	24	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	110.0904	0.821	107	110.0904	0.674	107	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(CHHN)(NNiP)(H)2	H(CCHN)	110.1881	0.259	16	110.1881	0.067	16	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	C(NNiHH)(CHHN)(H)2	C(CHHN)(NNiC)(H)2	H(CCHN)	110.1394	0.894	25	110.1394	0.800	25	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(H)2	C(CHHN)(NNiH)(H)2	H(CCHN)	C(NNiHH)(CHHN)(H)2	C(CHHN)(NNiH)(H)2	H(CCHN)	111.8830	4.876	2	111.8830	23.777	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPdCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NPdCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.6120	0.496	4	108.6120	0.246	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPdCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NPdCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.5930	0.035	2	108.5930	0.001	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPdCC)(CHHN)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	C(NPdCC)(CHHN)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	109.2197	0.250	16	109.2197	0.062	16	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPdCH)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	C(NPdCH)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	108.6559	0.366	11	108.6559	0.134	11	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPdCH)(CHHN)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	C(NPdCH)(CHHN)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	110.6912	1.501	4	110.6912	2.253	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPdCH)(CHHN)(H)2	C(CHHN)(NPdH)(H)2	H(CCHN)	C(NPdCH)(CHHN)(H)2	C(CHHN)(NPdH)(H)2	H(CCHN)	110.3320	0.018	2	110.3320	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPdHH)(CHHN)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	C(NPdHH)(CHHN)(H)2	C(CHHN)(NPdC)(H)2	H(CCHN)	109.9477	0.141	3	109.9477	0.020	3	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPtCC)(CHHN)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	C(NPtCC)(CHHN)(H)2	C(CHHN)(NCP)(H)2	H(CCHN)	108.5170	0.096	2	108.5170	0.009	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPtCC)(CHHN)(H)2	C(CHHN)(NPtC)(H)2	H(CCHN)	C(NPtCC)(CHHN)(H)2	C(CHHN)(NPtC)(H)2	H(CCHN)	109.5692	0.212	17	109.5692	0.045	17	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPtCH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	C(NPtCH)(CHHN)(H)2	C(CHHN)(NHH)(H)2	H(CCHN)	109.0200	0.023	2	109.0200	0.001	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NPtCH)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	C(NPtCH)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	108.5938	0.121	4	108.5938	0.015	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NReCH)(CHHN)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	C(NReCH)(CHHN)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	109.7838	0.294	5	109.7838	0.087	5	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NReHH)(CHHN)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	C(NReHH)(CHHN)(H)2	C(CHHN)(NReC)(H)2	H(CCHN)	109.9990	0.010	2	109.9990	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NRhHH)(CHHN)(H)2	C(CHHN)(NRhH)(H)2	H(CCHN)	C(NRhHH)(CHHN)(H)2	C(CHHN)(NRhH)(H)2	H(CCHN)	109.1425	0.052	2	109.1425	0.003	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NRuCC)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	C(NRuCC)(CHHN)(H)2	C(CHHN)(NHP)(H)2	H(CCHN)	108.2321	0.215	43	108.2321	0.046	43	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NRuCC)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	C(NRuCC)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	109.3720	0.081	2	109.3720	0.006	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NRuCC)(CHHN)(H)2	C(CHHN)(NRuP)(H)2	H(CCHN)	C(NRuCC)(CHHN)(H)2	C(CHHN)(NRuP)(H)2	H(CCHN)	109.2940	0.232	10	109.2940	0.054	10	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NRuCH)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	C(NRuCH)(CHHN)(H)2	C(CHHN)(NRuC)(H)2	H(CCHN)	112.3345	2.261	2	112.3345	5.110	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NRuHH)(CHHN)(H)2	C(CHHN)(NRuH)(H)2	H(CCHN)	C(NRuHH)(CHHN)(H)2	C(CHHN)(NRuH)(H)2	H(CCHN)	110.2465	0.013	2	110.2465	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NRuHH)(CHHN)(H)2	C(CHHN)(NRuS)(H)2	H(CCHN)	C(NRuHH)(CHHN)(H)2	C(CHHN)(NRuS)(H)2	H(CCHN)	109.9077	0.566	4	109.9077	0.321	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NSn2C)(CHHN)(H)2	C(CHHN)(NSnC)(H)2	H(CCHN)	C(NSn2C)(CHHN)(H)2	C(CHHN)(NSnC)(H)2	H(CCHN)	109.6770	0.006	2	109.6770	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.3945	0.244	6	108.3945	0.060	6	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	108.7960	0.328	4	108.7960	0.107	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	109.3096	0.275	53	109.3096	0.076	53	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	109.2305	0.441	4	109.2305	0.194	4	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(CHHN)(NCH)(H)2	H(CCHN)	109.0925	0.018	2	109.0925	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	109.8978	0.713	38	109.8978	0.509	38	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	C(NZnHH)(CHHN)(H)2	C(CHHN)(NCC)(H)2	H(CCHN)	108.9485	0.069	2	108.9485	0.005	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	C(NZnHH)(CHHN)(H)2	C(CHHN)(NZnC)(H)2	H(CCHN)	109.7265	0.016	2	109.7265	0.000	2	109.5781	0.971	1558	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NAlCC)(CHHO)(H)2	C(CHHN)(OAl2)(H)2	H(CCHN)	C(NAlCC)(CHHO)(H)2	C(CHHN)(OAl2)(H)2	H(CCHN)	109.7921	0.167	18	109.7921	0.028	18	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NAlHH)(CHHO)(H)2	C(CHHN)(OAl2)(H)2	H(CCHN)	C(NAlHH)(CHHO)(H)2	C(CHHN)(OAl2)(H)2	H(CCHN)	110.1690	0.431	2	110.1690	0.186	2	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NBaCC)(CHHO)(H)2	C(CHHN)(OBaC)(H)2	H(CCHN)	C(NBaCC)(CHHO)(H)2	C(CHHN)(OBaC)(H)2	H(CCHN)	108.7785	1.150	26	108.7785	1.322	26	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NBaCC)(CHHO)(H)2	C(CHHN)(OBaH)(H)2	H(CCHN)	C(NBaCC)(CHHO)(H)2	C(CHHN)(OBaH)(H)2	H(CCHN)	108.2420	0.040	2	108.2420	0.002	2	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCaCC)(CHHO)(H)2	C(CHHN)(OCaC)(H)2	H(CCHN)	C(NCaCC)(CHHO)(H)2	C(CHHN)(OCaC)(H)2	H(CCHN)	110.6256	2.623	10	110.6256	6.880	10	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCaCC)(CHHO)(H)2	C(CHHN)(OCaH)(H)2	H(CCHN)	C(NCaCC)(CHHO)(H)2	C(CHHN)(OCaH)(H)2	H(CCHN)	110.7158	2.112	18	110.7158	4.459	18	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCdCC)(CHHO)(H)2	C(CHHN)(OCdH)(H)2	H(CCHN)	C(NCdCC)(CHHO)(H)2	C(CHHN)(OCdH)(H)2	H(CCHN)	109.0685	0.215	10	109.0685	0.046	10	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCo2)(H)2	H(CCHN)	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCo2)(H)2	H(CCHN)	109.6422	0.272	16	109.6422	0.074	16	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCoC)(H)2	H(CCHN)	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCoC)(H)2	H(CCHN)	109.3819	0.104	9	109.3819	0.011	9	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCoH)(H)2	H(CCHN)	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCoH)(H)2	H(CCHN)	109.4188	0.377	41	109.4188	0.143	41	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCoCH)(CHHO)(H)2	C(CHHN)(OCo2)(H)2	H(CCHN)	C(NCoCH)(CHHO)(H)2	C(CHHN)(OCo2)(H)2	H(CCHN)	109.6837	0.593	12	109.6837	0.352	12	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCrCC)(CHHO)(H)2	C(CHHN)(OCr2)(H)2	H(CCHN)	C(NCrCC)(CHHO)(H)2	C(CHHN)(OCr2)(H)2	H(CCHN)	109.6983	0.121	14	109.6983	0.015	14	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCrCC)(CHHO)(H)2	C(CHHN)(OCrH)(H)2	H(CCHN)	C(NCrCC)(CHHO)(H)2	C(CHHN)(OCrH)(H)2	H(CCHN)	109.6427	0.081	13	109.6427	0.007	13	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCrCH)(CHHO)(H)2	C(CHHN)(OCr2)(H)2	H(CCHN)	C(NCrCH)(CHHO)(H)2	C(CHHN)(OCr2)(H)2	H(CCHN)	109.4002	0.096	4	109.4002	0.009	4	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCuCC)(CHHO)(H)2	C(CHHN)(OCu2)(H)2	H(CCHN)	C(NCuCC)(CHHO)(H)2	C(CHHN)(OCu2)(H)2	H(CCHN)	109.6586	0.111	8	109.6586	0.012	8	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCuCC)(CHHO)(H)2	C(CHHN)(OCuH)(H)2	H(CCHN)	C(NCuCC)(CHHO)(H)2	C(CHHN)(OCuH)(H)2	H(CCHN)	109.0307	0.350	15	109.0307	0.123	15	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCuCH)(CHHO)(H)2	C(CHHN)(OCuC)(H)2	H(CCHN)	C(NCuCH)(CHHO)(H)2	C(CHHN)(OCuC)(H)2	H(CCHN)	109.5607	0.121	12	109.5607	0.015	12	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NCuCH)(CHHO)(H)2	C(CHHN)(OCuH)(H)2	H(CCHN)	C(NCuCH)(CHHO)(H)2	C(CHHN)(OCuH)(H)2	H(CCHN)	109.1013	0.071	6	109.1013	0.005	6	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	109.5827	1.082	174	109.5827	1.171	174	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFeC)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFeC)(H)2	H(CCHN)	109.3207	0.199	18	109.3207	0.040	18	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFeH)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFeH)(H)2	H(CCHN)	109.8406	0.271	5	109.8406	0.074	5	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFeY)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFeY)(H)2	H(CCHN)	109.6405	0.089	4	109.6405	0.008	4	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NFeHH)(CHHO)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	C(NFeHH)(CHHO)(H)2	C(CHHN)(OFe2)(H)2	H(CCHN)	110.1405	0.036	2	110.1405	0.001	2	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NIrCC)(CHHO)(H)2	C(CHHN)(OIrC)(H)2	H(CCHN)	C(NIrCC)(CHHO)(H)2	C(CHHN)(OIrC)(H)2	H(CCHN)	109.1425	0.196	6	109.1425	0.039	6	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NLiCC)(CHHO)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	C(NLiCC)(CHHO)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	109.4140	0.410	66	109.4140	0.168	66	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NLiCC)(CHHO)(H)2	C(CHHN)(OLiH)(H)2	H(CCHN)	C(NLiCC)(CHHO)(H)2	C(CHHN)(OLiH)(H)2	H(CCHN)	109.3173	0.081	6	109.3173	0.007	6	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMgCC)(CHHO)(H)2	C(CHHN)(OMgC)(H)2	H(CCHN)	C(NMgCC)(CHHO)(H)2	C(CHHN)(OMgC)(H)2	H(CCHN)	109.4840	2.254	8	109.4840	5.083	8	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMgCC)(CHHO)(H)2	C(CHHN)(OMgH)(H)2	H(CCHN)	C(NMgCC)(CHHO)(H)2	C(CHHN)(OMgH)(H)2	H(CCHN)	109.4063	0.027	3	109.4063	0.001	3	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMgHH)(CHHO)(H)2	C(CHHN)(OMg2)(H)2	H(CCHN)	C(NMgHH)(CHHO)(H)2	C(CHHN)(OMg2)(H)2	H(CCHN)	110.1137	0.042	3	110.1137	0.002	3	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMn2)(H)2	H(CCHN)	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMn2)(H)2	H(CCHN)	109.3475	0.922	70	109.3475	0.851	70	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMnC)(H)2	H(CCHN)	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMnC)(H)2	H(CCHN)	109.4369	0.148	7	109.4369	0.022	7	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMnH)(H)2	H(CCHN)	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMnH)(H)2	H(CCHN)	109.4742	0.222	12	109.4742	0.049	12	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMnCH)(CHHO)(H)2	C(CHHN)(OMnC)(H)2	H(CCHN)	C(NMnCH)(CHHO)(H)2	C(CHHN)(OMnC)(H)2	H(CCHN)	109.9083	0.179	23	109.9083	0.032	23	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NMnCH)(CHHO)(H)2	C(CHHN)(OMnH)(H)2	H(CCHN)	C(NMnCH)(CHHO)(H)2	C(CHHN)(OMnH)(H)2	H(CCHN)	109.3985	0.083	4	109.3985	0.007	4	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONi2)(H)2	H(CCHN)	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONi2)(H)2	H(CCHN)	109.8538	0.249	4	109.8538	0.062	4	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONiC)(H)2	H(CCHN)	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONiC)(H)2	H(CCHN)	109.0421	0.881	29	109.0421	0.776	29	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	C(NNiCC)(CHHO)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	109.4233	0.329	70	109.4233	0.108	70	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONi2)(H)2	H(CCHN)	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONi2)(H)2	H(CCHN)	109.8400	0.000	1	109.8400	0.000	1	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONiC)(H)2	H(CCHN)	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONiC)(H)2	H(CCHN)	109.4728	0.307	6	109.4728	0.094	6	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	109.5534	0.297	18	109.5534	0.088	18	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiHH)(CHHO)(H)2	C(CHHN)(ONiC)(H)2	H(CCHN)	C(NNiHH)(CHHO)(H)2	C(CHHN)(ONiC)(H)2	H(CCHN)	109.6920	0.124	3	109.6920	0.015	3	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NNiHH)(CHHO)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	C(NNiHH)(CHHO)(H)2	C(CHHN)(ONiH)(H)2	H(CCHN)	109.8067	0.053	4	109.8067	0.003	4	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NSmCC)(CHHO)(H)2	C(CHHN)(OSmC)(H)2	H(CCHN)	C(NSmCC)(CHHO)(H)2	C(CHHN)(OSmC)(H)2	H(CCHN)	109.0382	0.368	19	109.0382	0.136	19	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NSnCC)(CHHO)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	C(NSnCC)(CHHO)(H)2	C(CHHN)(OLiC)(H)2	H(CCHN)	107.8085	0.251	4	107.8085	0.063	4	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NSnCC)(CHHO)(H)2	C(CHHN)(OSn2)(H)2	H(CCHN)	C(NSnCC)(CHHO)(H)2	C(CHHN)(OSn2)(H)2	H(CCHN)	109.7078	0.414	20	109.7078	0.172	20	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NSrCC)(CHHO)(H)2	C(CHHN)(OSrC)(H)2	H(CCHN)	C(NSrCC)(CHHO)(H)2	C(CHHN)(OSrC)(H)2	H(CCHN)	109.2545	1.356	6	109.2545	1.838	6	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NTiCC)(CHHO)(H)2	C(CHHN)(OTiC)(H)2	H(CCHN)	C(NTiCC)(CHHO)(H)2	C(CHHN)(OTiC)(H)2	H(CCHN)	109.0470	0.048	2	109.0470	0.002	2	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZn2)(H)2	H(CCHN)	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZn2)(H)2	H(CCHN)	109.5486	0.142	9	109.5486	0.020	9	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZnC)(H)2	H(CCHN)	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZnC)(H)2	H(CCHN)	108.9100	0.025	2	108.9100	0.001	2	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZnH)(H)2	H(CCHN)	C(NZnCC)(CHHO)(H)2	C(CHHN)(OZnH)(H)2	H(CCHN)	109.9781	2.021	14	109.9781	4.085	14	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NZnCH)(CHHO)(H)2	C(CHHN)(OZn2)(H)2	H(CCHN)	C(NZnCH)(CHHO)(H)2	C(CHHN)(OZn2)(H)2	H(CCHN)	109.6885	0.015	2	109.6885	0.000	2	109.4931	0.817	860	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(NAlSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	C(NAlSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	108.3770	0.004	2	108.3770	0.000	2	108.4502	0.039	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(NCoSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	C(NCoSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	108.4435	0.032	2	108.4435	0.001	2	108.4502	0.039	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(NCrSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	C(NCrSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	108.4617	0.249	12	108.4617	0.062	12	108.4502	0.039	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(NFeSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	C(NFeSiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	108.4845	0.043	2	108.4845	0.002	2	108.4502	0.039	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(NSiTiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	C(NSiTiC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	108.5485	0.151	4	108.5485	0.023	4	108.4502	0.039	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(NSiZrC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	C(NSiZrC)(CHHP)(H)2	C(CHHN)(PCC)(H)2	H(CCHN)	108.2300	0.014	2	108.2300	0.000	2	108.4502	0.039	24	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NAgCC)(CHHS)(H)2	C(CHHN)(SAgC)(H)2	H(CCHN)	C(NAgCC)(CHHS)(H)2	C(CHHN)(SAgC)(H)2	H(CCHN)	108.7119	0.408	14	108.7119	0.166	14	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NC[6a]CuC)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	C(NC[6a]CuC)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	109.3487	0.114	4	109.3487	0.013	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NC[6a]FeH)(CHHS)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	C(NC[6a]FeH)(CHHS)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	107.9892	4.067	4	107.9892	16.541	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NC[6a]NiC)(CHHS)(H)2	C(CHHN)(SNi2)(H)2	H(CCHN)	C(NC[6a]NiC)(CHHS)(H)2	C(CHHN)(SNi2)(H)2	H(CCHN)	111.3955	0.278	2	111.3955	0.077	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCoCC)(CHHS)(H)2	C(CHHN)(SCoC)(H)2	H(CCHN)	C(NCoCC)(CHHS)(H)2	C(CHHN)(SCoC)(H)2	H(CCHN)	109.0550	0.205	29	109.0550	0.042	29	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCoCH)(CHHS)(H)2	C(CHHN)(SCoC)(H)2	H(CCHN)	C(NCoCH)(CHHS)(H)2	C(CHHN)(SCoC)(H)2	H(CCHN)	109.2861	0.221	11	109.2861	0.049	11	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCr2C)(CHHS)(H)2	C(CHHN)(SCrC)(H)2	H(CCHN)	C(NCr2C)(CHHS)(H)2	C(CHHN)(SCrC)(H)2	H(CCHN)	108.8067	0.411	4	108.8067	0.169	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCrCH)(CHHS)(H)2	C(CHHN)(SCrC)(H)2	H(CCHN)	C(NCrCH)(CHHS)(H)2	C(CHHN)(SCrC)(H)2	H(CCHN)	110.0772	0.036	4	110.0772	0.001	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCuCC)(CHHS)(H)2	C(CHHN)(SCu2)(H)2	H(CCHN)	C(NCuCC)(CHHS)(H)2	C(CHHN)(SCu2)(H)2	H(CCHN)	108.4524	8.145	4	108.4524	66.334	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCuCC)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	C(NCuCC)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	109.4250	0.798	26	109.4250	0.637	26	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCuCH)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	C(NCuCH)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	109.4454	0.584	14	109.4454	0.341	14	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NCuHH)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	C(NCuHH)(CHHS)(H)2	C(CHHN)(SCuC)(H)2	H(CCHN)	109.3480	0.099	2	109.3480	0.010	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFe2)(H)2	H(CCHN)	109.0216	0.495	10	109.0216	0.245	10	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	108.7307	0.181	7	108.7307	0.033	7	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFeW)(H)2	H(CCHN)	C(NFeCC)(CHHS)(H)2	C(CHHN)(SFeW)(H)2	H(CCHN)	109.0770	0.250	4	109.0770	0.063	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NFeCH)(CHHS)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	C(NFeCH)(CHHS)(H)2	C(CHHN)(SFeC)(H)2	H(CCHN)	109.4058	0.215	6	109.4058	0.046	6	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NHgCC)(CHHS)(H)2	C(CHHN)(SHgC)(H)2	H(CCHN)	C(NHgCC)(CHHS)(H)2	C(CHHN)(SHgC)(H)2	H(CCHN)	108.4959	0.175	8	108.4959	0.031	8	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NHgCH)(CHHS)(H)2	C(CHHN)(SHgC)(H)2	H(CCHN)	C(NHgCH)(CHHS)(H)2	C(CHHN)(SHgC)(H)2	H(CCHN)	109.1625	0.060	2	109.1625	0.004	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NIrHH)(CHHS)(H)2	C(CHHN)(SIrS)(H)2	H(CCHN)	C(NIrHH)(CHHS)(H)2	C(CHHN)(SIrS)(H)2	H(CCHN)	109.2135	0.184	4	109.2135	0.034	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NIrHH)(CHHS)(H)2	C(CHHN)(SIrV)(H)2	H(CCHN)	C(NIrHH)(CHHS)(H)2	C(CHHN)(SIrV)(H)2	H(CCHN)	109.0555	0.657	4	109.0555	0.432	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NMnCC)(CHHS)(H)2	C(CHHN)(SMn2)(H)2	H(CCHN)	C(NMnCC)(CHHS)(H)2	C(CHHN)(SMn2)(H)2	H(CCHN)	108.8830	0.007	2	108.8830	0.000	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NMnCH)(CHHS)(H)2	C(CHHN)(SMnC)(H)2	H(CCHN)	C(NMnCH)(CHHS)(H)2	C(CHHN)(SMnC)(H)2	H(CCHN)	109.6145	0.095	2	109.6145	0.009	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NMoCC)(CHHS)(H)2	C(CHHN)(SMoC)(H)2	H(CCHN)	C(NMoCC)(CHHS)(H)2	C(CHHN)(SMoC)(H)2	H(CCHN)	108.3395	0.008	2	108.3395	0.000	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NMoCH)(CHHS)(H)2	C(CHHN)(SMoC)(H)2	H(CCHN)	C(NMoCH)(CHHS)(H)2	C(CHHN)(SMoC)(H)2	H(CCHN)	109.4789	0.310	7	109.4789	0.096	7	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNi2)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNi2)(H)2	H(CCHN)	109.2024	0.109	25	109.2024	0.012	25	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	108.2025	0.652	16	108.2025	0.426	16	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNiW)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(CHHN)(SNiW)(H)2	H(CCHN)	109.5030	0.272	5	109.5030	0.074	5	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NNiCH)(CHHS)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	C(NNiCH)(CHHS)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	109.0647	0.980	23	109.0647	0.960	23	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NNiHH)(CHHS)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	C(NNiHH)(CHHS)(H)2	C(CHHN)(SNiC)(H)2	H(CCHN)	109.4727	0.280	8	109.4727	0.079	8	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NPdCH)(CHHS)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	C(NPdCH)(CHHS)(H)2	C(CHHN)(SPdC)(H)2	H(CCHN)	109.9422	0.199	20	109.9422	0.040	20	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NPdHH)(CHHS)(H)2	C(CHHN)(SPd2)(H)2	H(CCHN)	C(NPdHH)(CHHS)(H)2	C(CHHN)(SPd2)(H)2	H(CCHN)	109.5415	2.423	2	109.5415	5.872	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NPtHH)(CHHS)(H)2	C(CHHN)(SPtO)(H)2	H(CCHN)	C(NPtHH)(CHHS)(H)2	C(CHHN)(SPtO)(H)2	H(CCHN)	110.0080	0.044	2	110.0080	0.002	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NReCC)(CHHS)(H)2	C(CHHN)(SReC)(H)2	H(CCHN)	C(NReCC)(CHHS)(H)2	C(CHHN)(SReC)(H)2	H(CCHN)	109.1305	0.187	2	109.1305	0.035	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NReHH)(CHHS)(H)2	C(CHHN)(SReC)(H)2	H(CCHN)	C(NReHH)(CHHS)(H)2	C(CHHN)(SReC)(H)2	H(CCHN)	109.6437	0.630	8	109.6437	0.397	8	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NRhHH)(CHHS)(H)2	C(CHHN)(SRhC)(H)2	H(CCHN)	C(NRhHH)(CHHS)(H)2	C(CHHN)(SRhC)(H)2	H(CCHN)	109.4453	0.580	19	109.4453	0.337	19	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NRhHH)(CHHS)(H)2	C(CHHN)(SRhH)(H)2	H(CCHN)	C(NRhHH)(CHHS)(H)2	C(CHHN)(SRhH)(H)2	H(CCHN)	110.4912	3.329	4	110.4912	11.084	4	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NRuCC)(CHHS)(H)2	C(CHHN)(SRuC)(H)2	H(CCHN)	C(NRuCC)(CHHS)(H)2	C(CHHN)(SRuC)(H)2	H(CCHN)	108.8415	0.369	8	108.8415	0.136	8	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NRuCH)(CHHS)(H)2	C(CHHN)(SRuC)(H)2	H(CCHN)	C(NRuCH)(CHHS)(H)2	C(CHHN)(SRuC)(H)2	H(CCHN)	110.0387	0.332	10	110.0387	0.110	10	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NZnCC)(CHHS)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	C(NZnCC)(CHHS)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	108.8312	0.054	6	108.8312	0.003	6	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NZnCC)(CHHS)(H)2	C(CHHN)(SZnC)(H)2	H(CCHN)	C(NZnCC)(CHHS)(H)2	C(CHHN)(SZnC)(H)2	H(CCHN)	109.2603	0.893	47	109.2603	0.797	47	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NZnCH)(CHHS)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	C(NZnCH)(CHHS)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	109.4971	0.083	7	109.4971	0.007	7	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NZnHH)(CHHS)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	C(NZnHH)(CHHS)(H)2	C(CHHN)(SZn2)(H)2	H(CCHN)	109.5840	0.062	2	109.5840	0.004	2	109.2321	1.234	390	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	C(CN[3x6]HH)(N[6]C[6]2)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	C(CN[3x6]HH)(N[6]C[6]2)(H)2	H(CN[3x6]CH)	108.1693	0.111	4	108.1693	0.012	4	108.1693	0.012	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuC)(H)2	H(CN[4]CH)	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuC)(H)2	H(CN[4]CH)	109.8235	0.033	2	109.8235	0.001	2	111.6937	7.548	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[4]C[4]2Ni)(CHHN)(H)2	C(CN[4]HH)(NNiC)(H)2	H(CN[4]CH)	C(N[4]C[4]2Ni)(CHHN)(H)2	C(CN[4]HH)(NNiC)(H)2	H(CN[4]CH)	113.5640	2.942	2	113.5640	8.653	2	111.6937	7.548	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NCC)(H)2	H(CN[5,5]CH)	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NCC)(H)2	H(CN[5,5]CH)	109.1317	0.125	4	109.1317	0.016	4	109.5597	0.141	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NHH)(H)2	H(CN[5,5]CH)	C(N[5,5]Ga[3x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NHH)(H)2	H(CN[5,5]CH)	109.5590	0.000	1	109.5590	0.000	1	109.5597	0.141	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NCC)(H)2	H(CN[5,5]CH)	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NCC)(H)2	H(CN[5,5]CH)	109.8777	0.206	4	109.8777	0.042	4	109.5597	0.141	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NCC)(H)2	H(CN[5,5]CH)	C(N[5,5]Ga[5,5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NCC)(H)2	H(CN[5,5]CH)	109.7800	0.011	2	109.7800	0.000	2	109.5597	0.141	11	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	C(CN[5,6]HH)(NCC)(H)2	H(CN[5,6]CH)	C(N[5,6]Ga[5,6]C[5]C[6])(CHHN)(H)2	C(CN[5,6]HH)(NCC)(H)2	H(CN[5,6]CH)	109.9400	0.021	2	109.9400	0.000	2	109.9400	0.000	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	H(CN[5]CH)	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CNO)(H)2	H(CN[5]CH)	109.0502	1.080	6	109.0502	1.165	6	109.1500	1.488	8	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CCHH)(H)2	C(CN[5]HH)(COO)(H)2	H(CN[5]CH)	109.4495	2.085	2	109.4495	4.348	2	109.1500	1.488	8	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Cd)(CHHN)(H)2	C(CN[5]HH)(NCdC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Cd)(CHHN)(H)2	C(CN[5]HH)(NCdC)(H)2	H(CN[5]CH)	109.4390	0.000	1	109.4390	0.000	1	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Cu)(CHHN)(H)2	C(CN[5]HH)(NCuC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Cu)(CHHN)(H)2	C(CN[5]HH)(NCuC)(H)2	H(CN[5]CH)	109.9273	0.144	13	109.9273	0.021	13	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Fe)(CHHN)(H)2	C(CN[5]HH)(NFeC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Fe)(CHHN)(H)2	C(CN[5]HH)(NFeC)(H)2	H(CN[5]CH)	109.7490	0.010	2	109.7490	0.000	2	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CHHN)(H)2	C(CN[5]HH)(NMnC)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CHHN)(H)2	C(CN[5]HH)(NMnC)(H)2	H(CN[5]CH)	109.5117	0.285	3	109.5117	0.081	3	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Mg)(CHHN)(H)2	C(CN[5]HH)(NMgC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Mg)(CHHN)(H)2	C(CN[5]HH)(NMgC)(H)2	H(CN[5]CH)	109.5703	0.285	4	109.5703	0.081	4	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Mn)(CHHN)(H)2	C(CN[5]HH)(NMnC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Mn)(CHHN)(H)2	C(CN[5]HH)(NMnC)(H)2	H(CN[5]CH)	109.3875	0.279	13	109.3875	0.078	13	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Ni)(CHHN)(H)2	C(CN[5]HH)(NNiC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Ni)(CHHN)(H)2	C(CN[5]HH)(NNiC)(H)2	H(CN[5]CH)	109.1639	0.171	23	109.1639	0.029	23	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Re)(CHHN)(H)2	C(CN[5]HH)(NReC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Re)(CHHN)(H)2	C(CN[5]HH)(NReC)(H)2	H(CN[5]CH)	107.4765	0.562	2	107.4765	0.316	2	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]C[5]2Zn)(CHHN)(H)2	C(CN[5]HH)(NZnC)(H)2	H(CN[5]CH)	C(N[5]C[5]2Zn)(CHHN)(H)2	C(CN[5]HH)(NZnC)(H)2	H(CN[5]CH)	109.6283	0.372	24	109.6283	0.138	24	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	C(N[5]In[5,5]C[5]C)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	109.4985	0.140	8	109.4985	0.020	8	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]In[5]C[5]C)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	C(N[5]In[5]C[5]C)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	108.8390	0.085	4	108.8390	0.007	4	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[5]Si[5]C[5]C)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	C(N[5]Si[5]C[5]C)(CHHN)(H)2	C(CN[5]HH)(NCC)(H)2	H(CN[5]CH)	109.8553	0.150	3	109.8553	0.023	3	109.4456	0.218	100	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	H(CN[6]CH)	109.0970	0.028	2	109.0970	0.001	2	108.9838	0.044	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CC[5a]O)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CC[5a]O)(H)2	H(CN[6]CH)	108.7145	0.042	2	108.7145	0.002	2	108.9838	0.044	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	H(CN[6]CH)	109.1400	0.006	2	109.1400	0.000	2	108.9838	0.044	6	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Al)(CHHN)(H)2	C(CN[6]HH)(NC[6a]H)(H)2	H(CN[6]CH)	C(N[6]C[6]2Al)(CHHN)(H)2	C(CN[6]HH)(NC[6a]H)(H)2	H(CN[6]CH)	108.4570	0.000	1	108.4570	0.000	1	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Cd)(CHHN)(H)2	C(CN[6]HH)(NCdC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cd)(CHHN)(H)2	C(CN[6]HH)(NCdC)(H)2	H(CN[6]CH)	108.9859	0.143	7	108.9859	0.020	7	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Co)(CHHN)(H)2	C(CN[6]HH)(NCoC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Co)(CHHN)(H)2	C(CN[6]HH)(NCoC)(H)2	H(CN[6]CH)	109.4573	0.298	4	109.4573	0.089	4	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CHHN)(H)2	C(CN[6]HH)(NCuC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CHHN)(H)2	C(CN[6]HH)(NCuC)(H)2	H(CN[6]CH)	109.8383	0.622	15	109.8383	0.386	15	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Fe)(CHHN)(H)2	C(CN[6]HH)(NC[5]Fe)(H)2	H(CN[6]CH)	C(N[6]C[6]2Fe)(CHHN)(H)2	C(CN[6]HH)(NC[5]Fe)(H)2	H(CN[6]CH)	109.2080	0.035	4	109.2080	0.001	4	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Fe)(CHHN)(H)2	C(CN[6]HH)(NFeC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Fe)(CHHN)(H)2	C(CN[6]HH)(NFeC)(H)2	H(CN[6]CH)	109.7245	1.061	2	109.7245	1.127	2	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	108.2530	0.008	2	108.2530	0.000	2	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	H(CN[6]CH)	108.7290	0.017	2	108.7290	0.000	2	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NZnC)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NZnC)(H)2	H(CN[6]CH)	109.1873	0.145	9	109.1873	0.021	9	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Mn)(CHHN)(H)2	C(CN[6]HH)(NMnC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Mn)(CHHN)(H)2	C(CN[6]HH)(NMnC)(H)2	H(CN[6]CH)	108.9850	0.158	6	108.9850	0.025	6	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Ni)(CHHN)(H)2	C(CN[6]HH)(NNiC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ni)(CHHN)(H)2	C(CN[6]HH)(NNiC)(H)2	H(CN[6]CH)	109.5874	0.348	43	109.5874	0.121	43	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]C[6]2Zn)(CHHN)(H)2	C(CN[6]HH)(NZnC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Zn)(CHHN)(H)2	C(CN[6]HH)(NZnC)(H)2	H(CN[6]CH)	109.2306	0.262	10	109.2306	0.069	10	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	109.8670	0.382	9	109.8670	0.146	9	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	109.4652	0.093	4	109.4652	0.009	4	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(N[6]In[6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	C(N[6]In[6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	H(CN[6]CH)	107.9427	1.432	4	107.9427	2.051	4	109.3984	0.354	122	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(N[6]C[6]2Al)(CHHO)(H)2	C(CN[6]HH)(OAl2)(H)2	H(CN[6]CH)	C(N[6]C[6]2Al)(CHHO)(H)2	C(CN[6]HH)(OAl2)(H)2	H(CN[6]CH)	108.6090	1.232	4	108.6090	1.518	4	108.6090	1.518	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CHHS)(H)2	C(CN[6]HH)(SCuC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CHHS)(H)2	C(CN[6]HH)(SCuC)(H)2	H(CN[6]CH)	108.7108	0.295	12	108.7108	0.087	12	109.1135	0.355	19	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(N[6]C[6]2Ni)(CHHS)(H)2	C(CN[6]HH)(SNiPd)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ni)(CHHS)(H)2	C(CN[6]HH)(SNiPd)(H)2	H(CN[6]CH)	109.8037	0.161	7	109.8037	0.026	7	109.1135	0.355	19	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(OLi2Sn)(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	C(OLi2Sn)(CHHN)(H)2	C(CHHO)(NCC)(H)2	H(CCHO)	108.7330	0.016	2	108.7330	0.000	2	108.7330	0.000	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(OSrCH)(CHHO)(H)2	C(CHHO)(OSrC)(H)2	H(CCHO)	C(OSrCH)(CHHO)(H)2	C(CHHO)(OSrC)(H)2	H(CCHO)	117.9075	0.479	2	117.9075	0.229	2	117.9075	0.229	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2C)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(PC[6a]2C)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	108.5120	0.035	2	108.5120	0.001	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2O)(CCHH)(H)2	C(CHHP)(CNO)(H)2	H(CCHP)	C(PC[6a]2O)(CCHH)(H)2	C(CHHP)(CNO)(H)2	H(CCHP)	110.1195	0.023	2	110.1195	0.001	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)(CCF)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)(CCF)(H)2	H(CCHP)	108.6850	0.016	2	108.6850	0.000	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)(CCH)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)(CCH)(H)2	H(CCHP)	108.2270	0.031	2	108.2270	0.001	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(PC[6a]2Ru)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	108.7445	0.076	2	108.7445	0.006	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2S)(CCHH)(H)2	C(CHHP)(CCP)(H)2	H(CCHP)	C(PC[6a]2S)(CCHH)(H)2	C(CHHP)(CCP)(H)2	H(CCHP)	108.8150	0.000	1	108.8150	0.000	1	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	109.1273	0.475	9	109.1273	0.226	9	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]CC)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(PC[6a]CC)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	108.4900	0.017	2	108.4900	0.000	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]C[6]Ag)(CCHH)(H)2	C(CHHP)(CHP)(H)2	H(CCHP)	C(PC[6a]C[6]Ag)(CCHH)(H)2	C(CHHP)(CHP)(H)2	H(CCHP)	108.2385	0.035	2	108.2385	0.001	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]OO)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(PC[6a]OO)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	108.8009	0.239	8	108.8009	0.057	8	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PCoCC)(CCHH)(H)2	C(CHHP)(CHP)(H)2	H(CCHP)	C(PCoCC)(CCHH)(H)2	C(CHHP)(CHP)(H)2	H(CCHP)	107.5775	6.609	2	107.5775	43.683	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PFeCC)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	C(PFeCC)(CCHH)(H)2	C(CHHP)(COO)(H)2	H(CCHP)	108.4288	0.052	6	108.4288	0.003	6	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PPtCC)(CCHH)(H)2	C(CHHP)(CCC)(H)2	H(CCHP)	C(PPtCC)(CCHH)(H)2	C(CHHP)(CCC)(H)2	H(CCHP)	108.0265	0.022	2	108.0265	0.000	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PPtCC)(CCHH)(H)2	C(CHHP)(CHH)(H)2	H(CCHP)	C(PPtCC)(CCHH)(H)2	C(CHHP)(CHH)(H)2	H(CCHP)	108.3805	0.008	2	108.3805	0.000	2	108.6805	1.320	44	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[3x6]2Ru)(CHHN)(H)2	C(CHHP)(NRuC)(H)2	H(CCHP)	C(PC[3x6]2Ru)(CHHN)(H)2	C(CHHP)(NRuC)(H)2	H(CCHP)	108.9993	0.219	3	108.9993	0.048	3	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NBC)(H)2	H(CCHP)	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NBC)(H)2	H(CCHP)	108.7215	0.056	2	108.7215	0.003	2	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	108.0475	0.127	4	108.0475	0.016	4	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6]2Fe)(CHHN)(H)2	C(CHHP)(NFeC)(H)2	H(CCHP)	C(PC[6]2Fe)(CHHN)(H)2	C(CHHP)(NFeC)(H)2	H(CCHP)	110.1990	0.052	4	110.1990	0.003	4	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Au)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	C(PC[6a]2Au)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	109.3270	0.068	2	109.3270	0.005	2	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	C(CHHP)(NCC)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	C(CHHP)(NCC)(H)2	H(CCHP)	108.7148	0.288	13	108.7148	0.083	13	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	C(CHHP)(NCoC)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	C(CHHP)(NCoC)(H)2	H(CCHP)	110.7752	0.334	8	110.7752	0.112	8	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	C(CHHP)(NCC)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	C(CHHP)(NCC)(H)2	H(CCHP)	108.7135	0.019	2	108.7135	0.000	2	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	C(CHHP)(NFeC)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	C(CHHP)(NFeC)(H)2	H(CCHP)	110.5113	1.195	11	110.5113	1.429	11	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHN)(H)2	C(CHHP)(NNiC)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHN)(H)2	C(CHHP)(NNiC)(H)2	H(CCHP)	110.6518	0.207	6	110.6518	0.043	6	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Os)(CHHN)(H)2	C(CHHP)(NOsC)(H)2	H(CCHP)	C(PC[6a]2Os)(CHHN)(H)2	C(CHHP)(NOsC)(H)2	H(CCHP)	110.2560	1.802	4	110.2560	3.247	4	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	108.8161	0.561	14	108.8161	0.315	14	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHN)(H)2	C(CHHP)(NPdC)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHN)(H)2	C(CHHP)(NPdC)(H)2	H(CCHP)	110.1998	0.272	14	110.1998	0.074	14	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHN)(H)2	C(CHHP)(NCH)(H)2	H(CCHP)	108.4322	0.797	38	108.4322	0.636	38	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHN)(H)2	C(CHHP)(NRuC)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHN)(H)2	C(CHHP)(NRuC)(H)2	H(CCHP)	109.9377	0.359	12	109.9377	0.129	12	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PC[6a]2Tc)(CHHN)(H)2	C(CHHP)(NTcC)(H)2	H(CCHP)	C(PC[6a]2Tc)(CHHN)(H)2	C(CHHP)(NTcC)(H)2	H(CCHP)	109.5433	0.246	4	109.5433	0.060	4	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PCoCC)(CHHN)(H)2	C(CHHP)(NCoC)(H)2	H(CCHP)	C(PCoCC)(CHHN)(H)2	C(CHHP)(NCoC)(H)2	H(CCHP)	110.0633	0.158	19	110.0633	0.025	19	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PFeCC)(CHHN)(H)2	C(CHHP)(NFeC)(H)2	H(CCHP)	C(PFeCC)(CHHN)(H)2	C(CHHP)(NFeC)(H)2	H(CCHP)	110.2490	0.055	6	110.2490	0.003	6	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PGaCC)(CHHN)(H)2	C(CHHP)(NSiC)(H)2	H(CCHP)	C(PGaCC)(CHHN)(H)2	C(CHHP)(NSiC)(H)2	H(CCHP)	109.4880	0.000	1	109.4880	0.000	1	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PIrCC)(CHHN)(H)2	C(CHHP)(NIrC)(H)2	H(CCHP)	C(PIrCC)(CHHN)(H)2	C(CHHP)(NIrC)(H)2	H(CCHP)	109.7664	0.070	7	109.7664	0.005	7	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PMnCC)(CHHN)(H)2	C(CHHP)(NMnC)(H)2	H(CCHP)	C(PMnCC)(CHHN)(H)2	C(CHHP)(NMnC)(H)2	H(CCHP)	110.1529	0.073	7	110.1529	0.005	7	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PNiCC)(CHHN)(H)2	C(CHHP)(NNiC)(H)2	H(CCHP)	C(PNiCC)(CHHN)(H)2	C(CHHP)(NNiC)(H)2	H(CCHP)	110.2206	0.282	15	110.2206	0.079	15	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PPdCC)(CHHN)(H)2	C(CHHP)(NPdC)(H)2	H(CCHP)	C(PPdCC)(CHHN)(H)2	C(CHHP)(NPdC)(H)2	H(CCHP)	110.0059	0.188	7	110.0059	0.035	7	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PPtCC)(CHHN)(H)2	C(CHHP)(NCC)(H)2	H(CCHP)	C(PPtCC)(CHHN)(H)2	C(CHHP)(NCC)(H)2	H(CCHP)	108.5345	0.231	4	108.5345	0.053	4	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PReCC)(CHHN)(H)2	C(CHHP)(NReC)(H)2	H(CCHP)	C(PReCC)(CHHN)(H)2	C(CHHP)(NReC)(H)2	H(CCHP)	109.8960	0.015	3	109.8960	0.000	3	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(PRuCC)(CHHN)(H)2	C(CHHP)(NRuC)(H)2	H(CCHP)	C(PRuCC)(CHHN)(H)2	C(CHHP)(NRuC)(H)2	H(CCHP)	110.5827	1.733	6	110.5827	3.002	6	109.5830	1.027	216	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(PC[3x6]2Pd)(CHHO)(H)2	C(CHHP)(OPdC)(H)2	H(CCHP)	C(PC[3x6]2Pd)(CHHO)(H)2	C(CHHP)(OPdC)(H)2	H(CCHP)	109.1015	0.005	2	109.1015	0.000	2	109.4181	0.052	20	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(PC[6]2Ru)(CHHO)(H)2	C(CHHP)(ORuC)(H)2	H(CCHP)	C(PC[6]2Ru)(CHHO)(H)2	C(CHHP)(ORuC)(H)2	H(CCHP)	109.3717	0.105	8	109.3717	0.011	8	109.4181	0.052	20	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHO)(H)2	C(CHHP)(ORuC)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHO)(H)2	C(CHHP)(ORuC)(H)2	H(CCHP)	109.5650	0.390	4	109.5650	0.152	4	109.4181	0.052	20	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(PRuCC)(CHHO)(H)2	C(CHHP)(ORuC)(H)2	H(CCHP)	C(PRuCC)(CHHO)(H)2	C(CHHP)(ORuC)(H)2	H(CCHP)	109.4877	0.161	6	109.4877	0.026	6	109.4181	0.052	20	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(PGeCC)(CHHP)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	C(PGeCC)(CHHP)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	109.4150	0.071	2	109.4150	0.005	2	108.8346	0.365	33	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(PPdCC)(CHHP)(H)2	C(CHHP)(PPdC)(H)2	H(CCHP)	C(PPdCC)(CHHP)(H)2	C(CHHP)(PPdC)(H)2	H(CCHP)	109.7320	0.086	2	109.7320	0.007	2	108.8346	0.365	33	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(PPtCC)(CHHP)(H)2	C(CHHP)(PPtC)(H)2	H(CCHP)	C(PPtCC)(CHHP)(H)2	C(CHHP)(PPtC)(H)2	H(CCHP)	108.9040	0.017	2	108.9040	0.000	2	108.8346	0.365	33	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(PRuCC)(CHHP)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	C(PRuCC)(CHHP)(H)2	C(CHHP)(PCC)(H)2	H(CCHP)	108.4402	0.251	19	108.4402	0.063	19	108.8346	0.365	33	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(PThCC)(CHHP)(H)2	C(CHHP)(PThC)(H)2	H(CCHP)	C(PThCC)(CHHP)(H)2	C(CHHP)(PThC)(H)2	H(CCHP)	109.3845	0.642	8	109.3845	0.412	8	108.8346	0.365	33	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHS)(H)2	C(CHHP)(SFe2)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHS)(H)2	C(CHHP)(SFe2)(H)2	H(CCHP)	109.6266	0.536	11	109.6266	0.287	11	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	H(CCHP)	110.1318	0.768	6	110.1318	0.589	6	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]2Os)(CHHS)(H)2	C(CHHP)(SOsC)(H)2	H(CCHP)	C(PC[6a]2Os)(CHHS)(H)2	C(CHHP)(SOsC)(H)2	H(CCHP)	108.3033	0.816	3	108.3033	0.665	3	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHS)(H)2	C(CHHP)(SPdC)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHS)(H)2	C(CHHP)(SPdC)(H)2	H(CCHP)	109.7965	0.365	6	109.7965	0.133	6	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHS)(H)2	C(CHHP)(SPtC)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHS)(H)2	C(CHHP)(SPtC)(H)2	H(CCHP)	109.7426	0.368	14	109.7426	0.136	14	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]2Tc)(CHHS)(H)2	C(CHHP)(STcC)(H)2	H(CCHP)	C(PC[6a]2Tc)(CHHS)(H)2	C(CHHP)(STcC)(H)2	H(CCHP)	108.8222	0.136	4	108.8222	0.018	4	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	H(CCHP)	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	H(CCHP)	108.2720	0.006	2	108.2720	0.000	2	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]MoC)(CHHS)(H)2	C(CHHP)(SMoC)(H)2	H(CCHP)	C(PC[6a]MoC)(CHHS)(H)2	C(CHHP)(SMoC)(H)2	H(CCHP)	109.1633	0.231	8	109.1633	0.053	8	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(PC[6a]NiC)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	H(CCHP)	C(PC[6a]NiC)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	H(CCHP)	110.8039	2.150	7	110.8039	4.622	7	109.6317	1.043	61	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[5a]OO)(CCHH)(H)2	C(CHHS)(CCH)(H)2	H(CCHS)	C(SC[5a]OO)(CCHH)(H)2	C(CHHS)(CCH)(H)2	H(CCHS)	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SC[6a]OO)(CHHN)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	C(SC[6a]OO)(CHHN)(H)2	C(CHHS)(NCH)(H)2	H(CCHS)	108.3240	0.013	2	108.3240	0.000	2	108.3240	0.000	2	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(SC[6a]OO)(CHHS)(H)2	C(CHHS)(SIr2)(H)2	H(CCHS)	C(SC[6a]OO)(CHHS)(H)2	C(CHHS)(SIr2)(H)2	H(CCHS)	109.1116	0.619	5	109.1116	0.383	5	109.1116	0.383	5	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CNO)(H)2	H(CSiCH)	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CNO)(H)2	H(CSiCH)	108.9450	0.049	3	108.9450	0.002	3	108.9450	0.002	3	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(SiC[6a]CC)(CHHN)(H)2	C(CSiHH)(NCH)(H)2	H(CSiCH)	C(SiC[6a]CC)(CHHN)(H)2	C(CSiHH)(NCH)(H)2	H(CSiCH)	108.5710	0.215	4	108.5710	0.046	4	108.5710	0.046	4	108.9778	1.302	16803	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:Ge-2:H-1:	C-4:	C(CGeCH)(CCHH)(H)2	C(CCHH)(CCH)(GeN)(H)	H(CCCH)	C(CGeCH)(CCHH)(H)2	C(CCHH)(CCH)(GeN)(H)	H(CCCH)	107.4540	0.066	2	107.4540	0.004	2	107.4540	0.004	2	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NC)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NC)(H)	H(CCCH)	108.7650	0.028	2	108.7650	0.001	2	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NP)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NP)(H)	H(CCCH)	108.3320	0.020	2	108.3320	0.000	2	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NC)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NC)(H)	H(CCCH)	110.3690	1.974	2	110.3690	3.898	2	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NN)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NN)(H)	H(CCCH)	108.7575	0.013	2	108.7575	0.000	2	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NC)(H)	H(CCCH)	108.3505	0.074	4	108.3505	0.005	4	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NC)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NC)(H)	H(CCCH)	109.3070	0.013	2	109.3070	0.000	2	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NC)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NC)(H)	H(CCCH)	109.3685	0.040	2	109.3685	0.002	2	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CCH)(NN)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CCH)(NN)(H)	H(CCCH)	108.6765	0.019	2	108.6765	0.000	2	108.9196	0.649	18	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	H(CCCH)	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	H(CCCH)	108.4575	0.053	2	108.4575	0.003	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OS)(H)	H(CCCH)	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OS)(H)	H(CCCH)	108.0565	0.054	2	108.0565	0.003	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	108.7357	0.121	4	108.7357	0.015	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	H(CCCH)	108.6025	0.025	2	108.6025	0.001	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	108.0505	0.778	4	108.0505	0.605	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	108.6510	0.132	6	108.6510	0.017	6	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	108.7650	0.252	11	108.7650	0.063	11	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	108.1047	1.085	32	108.1047	1.177	32	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	108.2672	0.056	4	108.2672	0.003	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	H(CCCH)	108.8010	0.149	13	108.8010	0.022	13	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OSi)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OSi)(H)	H(CCCH)	107.8805	0.928	2	107.8805	0.862	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	H(CCCH)	107.4160	0.163	2	107.4160	0.026	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	H(CCCH)	108.6160	0.014	2	108.6160	0.000	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OSi)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OSi)(H)	H(CCCH)	108.4565	0.013	2	108.4565	0.000	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	H(CCCH)	108.3915	0.011	2	108.3915	0.000	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CC3)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CCHO)(CC3)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	106.6188	0.666	4	106.6188	0.443	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CC3)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CCHO)(CC3)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	108.1690	0.007	2	108.1690	0.000	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	109.0505	0.016	2	109.0505	0.000	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	107.9585	1.651	2	107.9585	2.726	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCN)(OC)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCN)(OC)(H)	H(CCCH)	107.7960	0.751	2	107.7960	0.564	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CHHS)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	C(CCHO)(CHHS)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	108.5182	1.045	4	108.5182	1.092	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CCC)(OC)(H)	H(CCCH)	108.7160	0.042	4	108.7160	0.002	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	109.1105	0.029	2	109.1105	0.001	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	109.6870	0.810	3	109.6870	0.657	3	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CCO)(OC)(H)	H(CCCH)	108.5135	0.011	2	108.5135	0.000	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CCO)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CCO)(OH)(H)	H(CCCH)	108.3140	0.044	2	108.3140	0.002	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(COO)(OSi)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(COO)(OSi)(H)	H(CCCH)	108.4280	0.862	4	108.4280	0.744	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[3]HH)(CCHO)(H)2	C(CCHH)(CCN)(OC)(H)	H(CCCH)	C(CC[3]HH)(CCHO)(H)2	C(CCHH)(CCN)(OC)(H)	H(CCCH)	109.0255	0.012	2	109.0255	0.000	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[4]HH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CC[4]HH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	108.8970	0.057	2	108.8970	0.003	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[5]CH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CC[5]CH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	108.6235	0.049	2	108.6235	0.002	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[5]CH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CC[5]CH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	108.4380	0.653	6	108.4380	0.426	6	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	108.6290	3.886	2	108.6290	15.103	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[5a]C[6a]H)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	109.1360	0.000	1	109.1360	0.000	1	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6]CH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	C(CC[6]CH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	H(CCCH)	108.8053	0.169	4	108.8053	0.029	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	H(CCCH)	108.6310	0.605	4	108.6310	0.366	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6a]CO)(CCHO)(H)2	C(CCHH)(CHO)(OH)(H)	H(CCCH)	C(CC[6a]CO)(CCHO)(H)2	C(CCHH)(CHO)(OH)(H)	H(CCCH)	106.3630	3.577	2	106.3630	12.792	2	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CN[5]HH)(CCHO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	C(CN[5]HH)(CCHO)(H)2	C(CCHH)(COO)(OH)(H)	H(CCCH)	109.3770	0.093	4	109.3770	0.009	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CN[5]HH)(CCHO)(H)2	C(CCHH)(COO)(OMn)(H)	H(CCCH)	C(CN[5]HH)(CCHO)(H)2	C(CCHH)(COO)(OMn)(H)	H(CCCH)	108.5125	0.105	4	108.5125	0.011	4	108.4244	0.838	156	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCN)(SC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCN)(SC)(H)	H(CCCH)	108.6480	0.018	2	108.6480	0.000	2	109.3569	3.791	8	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CNO)(SC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CNO)(SC)(H)	H(CCCH)	109.5932	2.245	6	109.5932	5.039	6	109.3569	3.791	8	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NHS)(CN)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NHS)(CN)(H)	H(CCCH)	109.3290	0.043	4	109.3290	0.002	4	109.1399	0.043	8	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NCC)(CN)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NCC)(CN)(H)	H(CCCH)	108.9507	0.060	4	108.9507	0.004	4	109.1399	0.043	8	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:O-2:H-1:	C-4:	C(CC[6a]HH)(CHNO)(H)2	C(CCHH)(NCO)(OH)(H)	H(CCCH)	C(CC[6a]HH)(CHNO)(H)2	C(CCHH)(NCO)(OH)(H)	H(CCCH)	108.9270	0.017	2	108.9270	0.000	2	108.9270	0.000	2	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(NH3)(H)2	C(CHHN)(COO)(OH)(H)	H(CCHN)	C(CCHO)(NH3)(H)2	C(CHHN)(COO)(OH)(H)	H(CCHN)	109.8850	0.000	1	109.8850	0.000	1	109.8850	0.000	1	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	C(CC[3,6]HH)(CC[6a]O)(OH)(H)	H(CC[3,6]CH)	108.9005	0.030	2	108.9005	0.001	2	108.9005	0.001	2	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CCHO)(H)2	C(CC[3]HH)(CCC)(OC)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CCHO)(H)2	C(CC[3]HH)(CCC)(OC)(H)	H(CC[3]CH)	108.3073	0.195	6	108.3073	0.038	6	108.7821	0.223	16	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[3]C[3]N[3]H)(CCHO)(H)2	C(CC[3]HH)(CCC)(OC)(H)	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CCHO)(H)2	C(CC[3]HH)(CCC)(OC)(H)	H(CC[3]CH)	109.1535	0.125	4	109.1535	0.016	4	108.7821	0.223	16	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CC[3]HH)(CCH)(OH)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CC[3]HH)(CCH)(OH)(H)	H(CC[3]CH)	108.8490	0.020	2	108.8490	0.000	2	108.7821	0.223	16	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CCC)(OH)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CCC)(OH)(H)	H(CC[3]CH)	109.0892	0.524	4	109.0892	0.275	4	108.7821	0.223	16	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OH)(H)	H(CC[5]CH)	108.3595	0.009	2	108.3595	0.000	2	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CC[5]HH)(CCO)(OC)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CC[5]HH)(CCO)(OC)(H)	H(CC[5]CH)	108.9535	0.011	2	108.9535	0.000	2	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]2C)(CCHO)(H)2	C(CC[5]HH)(CCC)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHO)(H)2	C(CC[5]HH)(CCC)(OC)(H)	H(CC[5]CH)	107.7975	0.011	2	107.7975	0.000	2	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OC)(H)	H(CC[5]CH)	109.3650	0.020	2	109.3650	0.000	2	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OH)(H)	H(CC[5]CH)	108.4674	0.277	20	108.4674	0.076	20	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OO)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CCC)(OO)(H)	H(CC[5]CH)	108.9578	0.911	4	108.9578	0.830	4	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CC[5]C)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]HH)(CC[5]C)(OH)(H)	H(CC[5]CH)	108.7405	0.011	2	108.7405	0.000	2	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CCH)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CCH)(OC)(H)	H(CC[5]CH)	108.2635	0.042	2	108.2635	0.002	2	108.5594	0.224	36	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCO)(OC)(H)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCO)(OC)(H)	H(CC[6]CH)	108.2470	0.004	2	108.2470	0.000	2	108.3994	0.421	25	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCC)(OH)(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCC)(OH)(H)	H(CC[6]CH)	108.7690	0.010	2	108.7690	0.000	2	108.3994	0.421	25	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CCHO)(H)2	C(CC[6]HH)(CCC)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CCHO)(H)2	C(CC[6]HH)(CCC)(OH)(H)	H(CC[6]CH)	107.4950	0.180	3	107.4950	0.032	3	108.3994	0.421	25	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CCHO)(H)2	C(CC[6]HH)(CCC)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHO)(H)2	C(CC[6]HH)(CCC)(OH)(H)	H(CC[6]CH)	108.7216	0.823	7	108.7216	0.678	7	108.3994	0.421	25	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CCHO)(H)2	C(CC[6]HH)(CCO)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHO)(H)2	C(CC[6]HH)(CCO)(OC)(H)	H(CC[6]CH)	108.5052	0.246	5	108.5052	0.061	5	108.3994	0.421	25	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(CCH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(CCH)(OC)(H)	H(CC[6]CH)	108.2870	0.059	2	108.2870	0.004	2	108.3994	0.421	25	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(CCH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(CCH)(OH)(H)	H(CC[6]CH)	108.3290	0.839	4	108.3290	0.704	4	108.3994	0.421	25	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:O-2:H-1:	C-4:	C(NNiCC)(CHOO)(H)2	C(CHHN)(ONiC)(OC)(H)	H(CCHN)	C(NNiCC)(CHOO)(H)2	C(CHHN)(ONiC)(OC)(H)	H(CCHN)	109.4995	0.029	2	109.4995	0.001	2	109.4995	0.001	2	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHO)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHO)(OH)(H)	H(CN[6]CH)	108.3535	0.063	2	108.3535	0.004	2	108.3535	0.004	2	108.5522	0.758	278	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-2:O-2:	C-4:	C(CC[6a]HH)(CCCO)(H)2	C(CCHH)(COO)(CN)(OC)	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	C(CCHH)(COO)(CN)(OC)	H(CCCH)	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	As-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(AsC[6a]2Rh)(CCHN)(H)2	C(CAsHH)(COO)(NCH)(H)	H(CAsCH)	C(AsC[6a]2Rh)(CCHN)(H)2	C(CAsHH)(COO)(NCH)(H)	H(CAsCH)	108.2450	0.011	2	108.2450	0.000	2	108.2450	0.000	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHO)(Br)(H)	C(CBrCH)(CCH)(NHS)(H)	H(CBrCC)	C(CCHN)(CHHO)(Br)(H)	C(CBrCH)(CCH)(NHS)(H)	H(CBrCC)	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CCH)(NHS)(H)	H(CClCC)	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CCH)(NHS)(H)	H(CClCC)	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:Cl-1:	C-4:	C(CC[6a]HO)(CClCC)(H)2	C(CCHH)(COO)2(Cl)	H(CCCH)	C(CC[6a]HO)(CClCC)(H)2	C(CCHH)(COO)2(Cl)	H(CCCH)	108.0875	0.011	2	108.0875	0.000	2	108.4465	0.172	4	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:Cl-1:	C-4:	C(CN[5]ClH)(CClCC)(H)2	C(CCHH)(COO)2(Cl)	H(CCCH)	C(CN[5]ClH)(CClCC)(H)2	C(CCHH)(COO)2(Cl)	H(CCCH)	108.8055	0.012	2	108.8055	0.000	2	108.4465	0.172	4	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:F-1:	C-4:	C(CCCF)(CCHH)(H)2	C(CCHH)(COO)2(F)	H(CCCH)	C(CCCF)(CCHH)(H)2	C(CCHH)(COO)2(F)	H(CCCH)	109.2620	0.016	2	109.2620	0.000	2	108.8978	0.211	4	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:F-1:	C-4:	C(CCCF)(CHHN)(H)2	C(CCHH)(COO)2(F)	H(CCCH)	C(CCCF)(CHHN)(H)2	C(CCHH)(COO)2(F)	H(CCCH)	108.5335	0.322	2	108.5335	0.104	2	108.8978	0.211	4	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	108.9235	2.101	2	108.9235	4.413	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)2(H)	H(CCCH)	108.4525	0.042	2	108.4525	0.002	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CIrC)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CIrC)(CCC)(H)	H(CCCH)	107.7720	0.000	1	107.7720	0.000	1	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	108.9435	0.284	6	108.9435	0.081	6	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	106.9355	1.760	4	106.9355	3.099	4	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)(CNO)(H)	H(CCCH)	109.7270	1.892	2	109.7270	3.580	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)2(H)	H(CCCH)	109.2855	0.021	2	109.2855	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	106.9160	2.577	2	106.9160	6.639	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	109.1976	0.116	8	109.1976	0.013	8	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)(CNO)2(H)	H(CCCH)	108.6590	0.021	2	108.6590	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CCO)2(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CCO)2(H)	H(CCCH)	109.3667	0.014	3	109.3667	0.000	3	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(COO)2(H)	H(CCCH)	109.5015	0.018	2	109.5015	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[5a]CH)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CC[5a]CH)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	109.0560	0.020	2	109.0560	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[5a]C[6a]H)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CC[5a]C[6a]H)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	108.9505	0.009	2	108.9505	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	108.5625	0.005	2	108.5625	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]HN)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CC[6a]HN)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	108.7675	0.005	2	108.7675	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CN[5a]HH)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	C(CN[5a]HH)(CCCH)(H)2	C(CCHH)(COO)2(H)	H(CCCH)	108.4260	0.004	2	108.4260	0.000	2	108.7242	1.170	46	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCF)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	C(CCCF)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	108.3595	0.011	2	108.3595	0.000	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	H(CCCH)	108.0744	0.593	12	108.0744	0.352	12	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	108.6773	0.363	6	108.6773	0.132	6	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	108.5335	0.617	302	108.5335	0.381	302	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NHS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NHS)(H)	H(CCCH)	108.4215	0.780	2	108.4215	0.608	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	108.6203	1.817	10	108.6203	3.303	10	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.2698	1.343	158	108.2698	1.804	158	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	107.9450	0.058	2	107.9450	0.003	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHP)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHP)(H)	H(CCCH)	108.1624	0.404	5	108.1624	0.163	5	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	108.2426	0.230	14	108.2426	0.053	14	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(COS)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(COS)(NCH)(H)	H(CCCH)	108.3000	0.132	4	108.3000	0.018	4	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NCH)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NCH)(H)	H(CCCH)	108.7000	0.638	2	108.7000	0.407	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCFH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCFH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.6662	0.183	10	108.6662	0.034	10	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCC)(H)	H(CCCH)	109.0360	0.780	4	109.0360	0.608	4	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	H(CCCH)	108.5812	0.894	10	108.5812	0.800	10	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCO)(H)	H(CCCH)	108.1850	0.000	1	108.1850	0.000	1	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCO)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCO)(NCH)(H)	H(CCCH)	109.3235	0.033	2	109.3235	0.001	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHO)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CHO)(NCH)(H)	H(CCCH)	108.8830	0.008	2	108.8830	0.000	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	109.2572	1.045	4	109.2572	1.091	4	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	108.7319	0.376	46	108.7319	0.142	46	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	H(CCCH)	106.7565	1.832	4	106.7565	3.356	4	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.6568	0.905	72	108.6568	0.819	72	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	108.8820	0.572	5	108.8820	0.327	5	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHH)(H)	H(CCCH)	107.0055	0.911	2	107.0055	0.831	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	108.6468	0.259	6	108.6468	0.067	6	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.9690	0.000	1	108.9690	0.000	1	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CCH)(NHS)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CCH)(NHS)(H)	H(CCCH)	108.7275	0.026	2	108.7275	0.001	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	108.6540	0.018	2	108.6540	0.000	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	109.0614	0.230	10	109.0614	0.053	10	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(CCH)(NCC)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(CCH)(NCC)(H)	H(CCCH)	109.2815	0.056	2	109.2815	0.003	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(COO)(NCS)(H)	H(CCCH)	109.5855	0.028	2	109.5855	0.001	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(CCH)(NHS)(H)	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(CCH)(NHS)(H)	H(CCCH)	108.4915	0.016	2	108.4915	0.000	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(CCO)(NCH)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(CCO)(NCH)(H)	H(CCCH)	109.0950	0.006	2	109.0950	0.000	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCC)(H)	H(CCCH)	108.7130	0.038	2	108.7130	0.001	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	108.9476	0.351	8	108.9476	0.123	8	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.8768	0.503	20	108.8768	0.253	20	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NHS)(H)	H(CCCH)	108.9004	0.195	10	108.9004	0.038	10	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[5]HH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CC[5]HH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.6680	0.000	1	108.6680	0.000	1	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CCC)(NCH)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CCC)(NCH)(H)	H(CCCH)	109.0060	0.065	6	109.0060	0.004	6	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	109.0460	0.088	4	109.0460	0.008	4	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	108.7429	0.183	7	108.7429	0.034	7	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CP[5]HH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	C(CP[5]HH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	H(CCCH)	110.0520	1.913	2	110.0520	3.661	2	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CSeHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	C(CSeHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	H(CCCH)	108.4850	0.000	1	108.4850	0.000	1	108.5333	0.775	771	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	H(CCCH)	107.4728	0.623	6	107.4728	0.388	6	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	108.3165	0.015	2	108.3165	0.000	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(NSnC)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(NSnC)(COO)(H)	H(CCCH)	108.5675	0.025	2	108.5675	0.001	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	H(CCCH)	109.2620	0.004	2	109.2620	0.000	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(CNO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(CNO)(H)	H(CCCH)	107.9450	0.030	2	107.9450	0.001	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	108.8257	0.095	4	108.8257	0.009	4	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NZnC)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NZnC)(COO)(H)	H(CCCH)	108.7810	0.048	4	108.7810	0.002	4	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	108.8415	0.005	2	108.8415	0.000	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	108.4982	0.109	4	108.4982	0.012	4	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(NPtC)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(NPtC)(COO)(H)	H(CCCH)	108.2120	0.010	2	108.2120	0.000	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(NSnC)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(NSnC)(COO)(H)	H(CCCH)	107.2380	3.114	2	107.2380	9.698	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CC[6a]CC)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	C(CC[6a]CC)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	H(CCCH)	107.6940	0.033	2	107.6940	0.001	2	108.2768	0.722	34	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:N-3:H-1:	C-4:	C(CCCH)(CHNN)(H)2	C(CCHH)(NCH)2(H)	H(CCCH)	C(CCCH)(CHNN)(H)2	C(CCHH)(NCH)2(H)	H(CCCH)	108.4375	0.026	2	108.4375	0.001	2	108.4375	0.001	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:C-3:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)(OOsH)(CCP)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)(OOsH)(CCP)(H)	H(CCCH)	109.0735	0.015	2	109.0735	0.000	2	109.0735	0.000	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-3:C-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(SIr2)(CCO)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(SIr2)(CCO)(H)	H(CCCH)	109.0252	0.356	4	109.0252	0.127	4	109.0252	0.127	4	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCHO)(H)(I)	C(CCHI)(CNO)(NCH)(H)	H(CCCI)	C(CCHN)(CCHO)(H)(I)	C(CCHI)(CNO)(NCH)(H)	H(CCCI)	105.0680	0.000	1	105.0680	0.000	1	105.0680	0.000	1	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:O-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)(O)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(H)(O)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C-4:O-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(ONi3)(H)2	C(CHHO)(NNiC)(CHH)(H)	H(CCHO)	C(CCHN)(ONi3)(H)2	C(CHHO)(NNiC)(CHH)(H)	H(CCHO)	109.0000	0.040	2	109.0000	0.002	2	109.0000	0.002	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	C(CC[5,6]HH)(CNO)(NCH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	C(CC[5,6]HH)(CNO)(NCH)(H)	H(CC[5,6]CH)	107.8145	3.331	2	107.8145	11.097	2	107.8145	11.097	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CC[5]HH)(COO)2(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CC[5]HH)(COO)2(H)	H(CC[5]CH)	109.2280	0.643	4	109.2280	0.413	4	109.2712	0.182	8	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CNO)2(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CNO)2(H)	H(CC[5]CH)	109.3145	0.074	4	109.3145	0.005	4	109.2712	0.182	8	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(H)2	C(CC[5]HH)(COO)(NCH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHN)(H)2	C(CC[5]HH)(COO)(NCH)(H)	H(CC[5]CH)	108.8690	0.051	2	108.8690	0.003	2	108.8690	0.003	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C(CC[6,6]HH)(COO)2(H)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C(CC[6,6]HH)(COO)2(H)	H(CC[6,6]CH)	108.2515	0.005	2	108.2515	0.000	2	108.2515	0.000	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(COO)2(H)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(COO)2(H)	H(CC[6]CH)	109.1960	0.000	1	109.1960	0.000	1	108.6800	0.099	5	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6]C[6,6a]2H)(CCCH)(H)2	C(CC[6]HH)(COO)2(H)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CCCH)(H)2	C(CC[6]HH)(COO)2(H)	H(CC[6]CH)	108.4265	0.037	2	108.4265	0.001	2	108.6800	0.099	5	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	C(CC[6]HH)(COO)2(H)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCCH)(H)2	C(CC[6]HH)(COO)2(H)	H(CC[6]CH)	108.6755	0.018	2	108.6755	0.000	2	108.6800	0.099	5	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6]C[6]2F)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	C(C[6]C[6]2F)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	108.2850	0.000	1	108.2850	0.000	1	108.9140	0.231	16	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6]C[6]2H)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	108.7466	0.112	9	108.7466	0.013	9	108.9140	0.231	16	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6]C[6]2O)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	C(C[6]C[6]2O)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	108.6430	0.030	2	108.6430	0.001	2	108.9140	0.231	16	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHN)(H)2	C(CC[6]HH)(COO)(NCH)(H)	H(CC[6]CH)	109.5835	0.511	4	109.5835	0.261	4	108.9140	0.231	16	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6]C[6]2C)(CCHN)(H)2	C(CC[6]HH)(NNiC)(COO)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CCHN)(H)2	C(CC[6]HH)(NNiC)(COO)(H)	H(CC[6]CH)	107.7865	0.047	2	107.7865	0.002	2	108.4150	0.528	4	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CCHN)(H)2	C(CC[6]HH)(NNiC)(COO)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(H)2	C(CC[6]HH)(NNiC)(COO)(H)	H(CC[6]CH)	109.0435	0.025	2	109.0435	0.001	2	108.4150	0.528	4	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(SC[6a]OO)(CCCH)(H)2	C(CHHS)(CCH)(CNO)(H)	H(CCHS)	C(SC[6a]OO)(CCCH)(H)2	C(CHHS)(CCH)(CNO)(H)	H(CCHS)	108.6415	0.006	2	108.6415	0.000	2	108.6415	0.000	2	108.5449	0.787	916	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-2:	C-4:	C(CC[6a]HH)(CC3)(H)2	C(CCHH)(CCH)(COO)(CN)	H(CCCH)	C(CC[6a]HH)(CC3)(H)2	C(CCHH)(CCH)(COO)(CN)	H(CCCH)	108.8910	0.209	5	108.8910	0.044	5	108.7290	0.059	9	108.7290	0.059	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-2:	C-4:	C(CClHH)(CC3)(H)2	C(CCHH)(CCC)(COO)(CN)	H(CCCH)	C(CClHH)(CC3)(H)2	C(CCHH)(CCC)(COO)(CN)	H(CCCH)	108.4900	0.018	2	108.4900	0.000	2	108.7290	0.059	9	108.7290	0.059	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-2:	C-4:	C(CSiHH)(CC3)(H)2	C(CCHH)(CCH)(COO)(CN)	H(CCCH)	C(CSiHH)(CC3)(H)2	C(CCHH)(CCH)(COO)(CN)	H(CCCH)	108.5630	0.027	2	108.5630	0.001	2	108.7290	0.059	9	108.7290	0.059	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(COO)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(COO)2	H(CCCH)	108.1635	0.070	2	108.1635	0.005	2	108.1635	0.005	2	106.8898	3.527	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(CCHH)(CN3)(H)2	C(CCHH)(NOO)3	H(CCCH)	C(CCHH)(CN3)(H)2	C(CCHH)(NOO)3	H(CCCH)	106.4837	1.867	14	106.4837	3.484	14	106.4851	3.650	23	106.8898	3.527	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(CHHN)(CN3)(H)2	C(CCHH)(NOO)3	H(CCCH)	C(CHHN)(CN3)(H)2	C(CCHH)(NOO)3	H(CCCH)	107.0794	1.923	7	107.0794	3.699	7	106.4851	3.650	23	106.8898	3.527	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:	C(CN[5a]HH)(CN3)(H)2	C(CCHH)(NOO)3	H(CCCH)	C(CN[5a]HH)(CN3)(H)2	C(CCHH)(NOO)3	H(CCCH)	104.4150	1.329	2	104.4150	1.767	2	106.4851	3.650	23	106.8898	3.527	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-3:	C-4:	C(C[6]C[6]O[6]H)(CC3)(H)2	C(CC[6]HH)(COO)3	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC3)(H)2	C(CC[6]HH)(COO)3	H(CC[6]CH)	108.5195	0.013	2	108.5195	0.000	2	108.5195	0.000	2	106.8898	3.527	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:3:3:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:C-3:N-3:	C-4:	C(C[6]C[6]2H)(CCCN)(H)2	C(CC[6]HH)(CHH)2(NCH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCCN)(H)2	C(CC[6]HH)(CHH)2(NCH)	H(CC[6]CH)	108.6400	0.023	2	108.6400	0.001	2	108.6400	0.001	2	106.8898	3.527	29	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CRhO)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CRhO)(CH3)(H)	H(CCCH)	109.5020	0.000	2	109.5020	0.000	2	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	H(CCCH)	107.8630	0.116	2	107.8630	0.013	2	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	H(CCCH)	109.2215	0.518	2	109.2215	0.269	2	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CCCH)	108.5785	0.026	2	108.5785	0.001	2	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	H(CCCH)	108.5695	0.011	2	108.5695	0.000	2	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	H(CCCH)	108.6740	0.007	2	108.6740	0.000	2	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	H(CCCH)	108.3940	0.021	2	108.3940	0.000	2	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	H(CCCH)	108.6495	0.133	6	108.6495	0.018	6	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CN[5]HH)(CCCH)(H)2	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	H(CCCH)	C(CN[5]HH)(CCCH)(H)2	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	H(CCCH)	107.5413	0.094	3	107.5413	0.009	3	108.5272	0.329	23	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.4170	0.000	1	108.4170	0.000	1	108.7920	0.106	3	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(H)2	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]CH)(CH3)(H)2	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.9795	0.045	2	108.9795	0.002	2	108.7920	0.106	3	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	H(CCCH)	107.4280	0.126	5	107.4280	0.016	5	108.0259	0.888	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCuC)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCuC)(CH3)(H)	H(CCCH)	107.9840	0.047	2	107.9840	0.002	2	108.0259	0.888	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NRuC)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NRuC)(CH3)(H)	H(CCCH)	107.2590	2.654	2	107.2590	7.046	2	108.0259	0.888	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(NCuC)(CH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(NCuC)(CH3)(H)	H(CCCH)	108.3280	0.161	3	108.3280	0.026	3	108.0259	0.888	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(CH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(CH3)(H)	H(CCCH)	109.1430	0.017	3	109.1430	0.000	3	108.0259	0.888	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	H(CCCH)	C(CC[6a]HN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	H(CCCH)	108.2010	0.014	2	108.2010	0.000	2	108.0259	0.888	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)(H)	H(CCCH)	108.1100	0.012	4	108.1100	0.000	4	108.1100	0.000	4	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[4]H)(CH3)(H)2	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[4]H)(CH3)(H)2	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.0895	0.006	2	109.0895	0.000	2	109.0895	0.000	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	H(CCCH)	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	H(CCCH)	110.1435	0.145	2	110.1435	0.021	2	110.1435	0.021	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	H(CCCH)	108.3666	0.065	7	108.3666	0.004	7	108.2233	0.026	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	H(CCCH)	108.1230	0.130	10	108.1230	0.017	10	108.2233	0.026	17	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	H(CCCH)	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	H(CCCH)	109.0430	0.055	2	109.0430	0.003	2	109.0430	0.003	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCCH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CCCH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	108.4092	0.046	5	108.4092	0.002	5	108.6746	0.207	7	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	H(CCCH)	109.3380	0.007	2	109.3380	0.000	2	108.6746	0.207	7	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-3:C-4:H-1:	C-4:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	H(CCCH)	108.6017	0.032	4	108.6017	0.001	4	108.6017	0.001	4	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C[6]-3:C-4:H-1:	C-4:	C(CC[6]N[6]H)(CC[6]HH)(H)2	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	C(CC[6]N[6]H)(CC[6]HH)(H)2	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	H(CCCH)	108.8005	0.068	8	108.8005	0.005	8	108.8005	0.005	8	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-3:C-4:H-1:	C-4:	C(CCHO)(CCHP)(H)2	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CCHO)(CCHP)(H)2	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	H(CCCH)	109.3775	0.047	2	109.3775	0.002	2	109.3775	0.002	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C[5]-3:C-4:H-1:	C-4:	C(CC[5]HP)(CH3)(H)2	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	H(CCCH)	C(CC[5]HP)(CH3)(H)2	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	H(CCCH)	107.8915	0.023	2	107.8915	0.001	2	109.1030	0.884	6	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C[5]-3:C-4:H-1:	C-4:	C(CC[6a]HP)(CC[5]HP)(H)2	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	H(CCCH)	C(CC[6a]HP)(CC[5]HP)(H)2	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	H(CCCH)	109.7087	0.071	4	109.7087	0.005	4	109.1030	0.884	6	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C[6]-3:C-4:H-1:	C-4:	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	H(CCCH)	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	H(CCCH)	108.6915	0.021	4	108.6915	0.000	4	109.1411	0.287	8	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C[6]-3:C-4:H-1:	C-4:	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	H(CCCH)	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	H(CCCH)	109.5907	0.359	4	109.5907	0.129	4	109.1411	0.287	8	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-3:C-4:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	H(CCCH)	109.1857	0.208	4	109.1857	0.043	4	109.1857	0.043	4	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Fe)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[5]HH)(H)	H(CC[5]CH)	C(CC[6a]C[5]H)(C[5]C[5]2Fe)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[5]HH)(H)	H(CC[5]CH)	109.5320	0.027	2	109.5320	0.001	2	109.5320	0.001	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(NO3)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	C(CC[6a]C[5]H)(NO3)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	H(CCHN)	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C-4:S-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	H(CCHS)	C(CC[6a]C[5]H)(SC[5a]OO)(H)2	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	H(CCHS)	108.3450	0.034	2	108.3450	0.001	2	108.3450	0.001	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCCH)(H)2	C(CC[3]HH)(CC[5]O)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CCCH)(H)2	C(CC[3]HH)(CC[5]O)(CH3)(H)	H(CC[3]CH)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	C(CC[4]HH)(NC[6a]C)(CH3)(H)	H(CC[4]CH)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	C(CC[4]HH)(NC[6a]C)(CH3)(H)	H(CC[4]CH)	108.8095	0.009	2	108.8095	0.000	2	108.8095	0.000	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[5]C[5]2Hf)(CCCH)(H)2	C(CC[5]HH)(CHfC)(CC3)(H)	H(CC[5]CH)	C(C[5]C[5]2Hf)(CCCH)(H)2	C(CC[5]HH)(CHfC)(CC3)(H)	H(CC[5]CH)	108.8800	0.016	2	108.8800	0.000	2	108.8800	0.000	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CC[6]HH)(CN[5]O)(CH3)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CC[6]HH)(CN[5]O)(CH3)(H)	H(CC[6]CH)	109.9900	1.111	4	109.9900	1.234	4	109.9900	1.234	4	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	C(CC[6]HH)(NC[6]S)(CH3)(H)	H(CC[6]CH)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	C(CC[6]HH)(NC[6]S)(CH3)(H)	H(CC[6]CH)	107.7970	0.016	2	107.7970	0.000	2	107.7970	0.000	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]2H)(H)2	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	H(CC[6]CH)	108.4357	0.200	6	108.4357	0.040	6	108.4357	0.040	6	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:	C(NNiCH)(CCHN)(H)2	C(CHHN)(NNiC)(CH3)(H)	H(CCHN)	C(NNiCH)(CCHN)(H)2	C(CHHN)(NNiC)(CH3)(H)	H(CCHN)	110.0205	0.016	2	110.0205	0.000	2	110.0205	0.000	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(NAlCC)(CCHO)(H)2	C(CHHN)(OAl2)(CH3)(H)	H(CCHN)	C(NAlCC)(CCHO)(H)2	C(CHHN)(OAl2)(CH3)(H)	H(CCHN)	109.5662	0.204	12	109.5662	0.042	12	109.4408	0.178	20	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(NCoCC)(CCHO)(H)2	C(CHHN)(OCo2)(CH3)(H)	H(CCHN)	C(NCoCC)(CCHO)(H)2	C(CHHN)(OCo2)(CH3)(H)	H(CCHN)	109.9497	0.029	3	109.9497	0.001	3	109.4408	0.178	20	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(NCuCC)(CCHO)(H)2	C(CHHN)(OCuH)(CC3)(H)	H(CCHN)	C(NCuCC)(CCHO)(H)2	C(CHHN)(OCuH)(CC3)(H)	H(CCHN)	108.7660	0.077	4	108.7660	0.006	4	109.4408	0.178	20	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(NFeCC)(CCHO)(H)2	C(CHHN)(OFe2)(CH3)(H)	H(CCHN)	C(NFeCC)(CCHO)(H)2	C(CHHN)(OFe2)(CH3)(H)	H(CCHN)	109.1080	0.000	1	109.1080	0.000	1	109.4408	0.178	20	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(NCuCC)(CCHS)(H)2	C(CHHN)(SCuC)(CH3)(H)	H(CCHN)	C(NCuCC)(CCHS)(H)2	C(CHHN)(SCuC)(CH3)(H)	H(CCHN)	108.8605	0.268	4	108.8605	0.072	4	108.8605	0.072	4	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:O-3:C-4:H-1:	C-4:	C(N[6]C[6]2Al)(CCHO)(H)2	C(CN[6]HH)(OAl2)(CH3)(H)	H(CN[6]CH)	C(N[6]C[6]2Al)(CCHO)(H)2	C(CN[6]HH)(OAl2)(CH3)(H)	H(CN[6]CH)	107.2000	2.400	2	107.2000	5.760	2	107.2000	5.760	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	H(CCHS)	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	H(CCHS)	111.9405	0.735	2	111.9405	0.540	2	111.9405	0.540	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:1:	4:	Si-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	C-4:	C(SiC[5,6,6]C[6a]2)(CC[5,6,6]C[6a]H)(H)2	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	H(CSiCH)	C(SiC[5,6,6]C[6a]2)(CC[5,6,6]C[6a]H)(H)2	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	H(CSiCH)	104.4245	0.042	2	104.4245	0.002	2	104.4245	0.002	2	108.7309	0.954	164	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[5]O)(CCHH)(H)2	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	H(CCCH)	C(CC[6a]C[5]O)(CCHH)(H)2	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	H(CCCH)	108.4405	0.006	2	108.4405	0.000	2	108.2537	0.052	4	108.2537	0.052	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[5]O)(CH3)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	H(CCCH)	C(CC[6a]C[5]O)(CH3)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	H(CCCH)	108.0670	0.132	2	108.0670	0.017	2	108.2537	0.052	4	108.2537	0.052	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:	C(CCCH)(CCCN)(H)2	C(CCHH)(NNiC)(CH3)(COO)	H(CCCH)	C(CCCH)(CCCN)(H)2	C(CCHH)(NNiC)(CH3)(COO)	H(CCCH)	107.9045	0.234	2	107.9045	0.055	2	108.1586	0.034	9	108.1586	0.034	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)(NNiC)(CH3)(COO)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)(NNiC)(CH3)(COO)	H(CCCH)	108.2284	0.115	5	108.2284	0.013	5	108.1586	0.034	9	108.1586	0.034	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:	C(CCCN)(CCHH)(H)2	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	H(CCCH)	108.2380	0.021	2	108.2380	0.000	2	108.1586	0.034	9	108.1586	0.034	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(NZrC)(CH3)2	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(NZrC)(CH3)2	H(CCCH)	106.6440	0.007	2	106.6440	0.000	2	107.6119	4.105	16	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)(NCuC)(CH3)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)(NCuC)(CH3)2	H(CCCH)	107.0285	0.009	2	107.0285	0.000	2	107.6119	4.105	16	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)2	H(CCCH)	107.4065	0.056	4	107.4065	0.003	4	107.6119	4.105	16	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCuC)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCuC)(CH3)2	H(CCCH)	108.0620	0.008	2	108.0620	0.000	2	107.6119	4.105	16	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NNiC)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NNiC)(CH3)2	H(CCCH)	107.3975	0.018	2	107.3975	0.000	2	107.6119	4.105	16	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NRuC)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NRuC)(CH3)2	H(CCCH)	108.4750	4.296	4	108.4750	18.456	4	107.6119	4.105	16	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(CCHN)(H)2	C(CCHH)(OZn2)(CH3)2	H(CCCH)	C(CCCO)(CCHN)(H)2	C(CCHH)(OZn2)(CH3)2	H(CCCH)	107.6335	0.018	2	107.6335	0.000	2	107.7883	0.032	4	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)2	H(CCCH)	C(CCCO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)2	H(CCCH)	107.9430	0.010	2	107.9430	0.000	2	107.7883	0.032	4	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(NCoCC)(CCCN)(H)2	C(CHHN)(NCoC)(CH3)2	H(CCHN)	C(NCoCC)(CCCN)(H)2	C(CHHN)(NCoC)(CH3)2	H(CCHN)	108.9506	0.266	8	108.9506	0.071	8	108.6832	0.206	12	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:	C(NMnCC)(CCCN)(H)2	C(CHHN)(NMnC)(CH3)2	H(CCHN)	C(NMnCC)(CCCN)(H)2	C(CHHN)(NMnC)(CH3)2	H(CCHN)	108.1483	0.130	4	108.1483	0.017	4	108.6832	0.206	12	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(NAlCC)(CCCO)(H)2	C(CHHN)(OAl2)(CH3)2	H(CCHN)	C(NAlCC)(CCCO)(H)2	C(CHHN)(OAl2)(CH3)2	H(CCHN)	109.2674	0.079	10	109.2674	0.006	10	108.9622	0.149	18	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(NMgCC)(CCCO)(H)2	C(CHHN)(OMg2)(CH3)2	H(CCHN)	C(NMgCC)(CCCO)(H)2	C(CHHN)(OMg2)(CH3)2	H(CCHN)	108.7010	0.027	4	108.7010	0.001	4	108.9622	0.149	18	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(NSnCC)(CCCO)(H)2	C(CHHN)(OSn2)(CH3)2	H(CCHN)	C(NSnCC)(CCCO)(H)2	C(CHHN)(OSn2)(CH3)2	H(CCHN)	108.4605	0.296	4	108.4605	0.088	4	108.9622	0.149	18	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(NCuCC)(CCCS)(H)2	C(CHHN)(SCuC)(CH3)2	H(CCHN)	C(NCuCC)(CCCS)(H)2	C(CHHN)(SCuC)(CH3)2	H(CCHN)	109.2130	1.568	2	109.2130	2.460	2	108.7053	0.429	29	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(NCuCC)(CCCS)(H)2	C(CHHN)(SCuS)(CH3)2	H(CCHN)	C(NCuCC)(CCCS)(H)2	C(CHHN)(SCuS)(CH3)2	H(CCHN)	108.5174	0.750	8	108.5174	0.562	8	108.7053	0.429	29	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(NFeCC)(CCCS)(H)2	C(CHHN)(SFe2)(CH3)2	H(CCHN)	C(NFeCC)(CCCS)(H)2	C(CHHN)(SFe2)(CH3)2	H(CCHN)	108.0583	0.206	4	108.0583	0.043	4	108.7053	0.429	29	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(NNiCC)(CCCS)(H)2	C(CHHN)(SNi2)(CH3)2	H(CCHN)	C(NNiCC)(CCCS)(H)2	C(CHHN)(SNi2)(CH3)2	H(CCHN)	108.8153	0.120	6	108.8153	0.014	6	108.7053	0.429	29	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(NNiCC)(CCCS)(H)2	C(CHHN)(SNiO)(CH3)2	H(CCHN)	C(NNiCC)(CCCS)(H)2	C(CHHN)(SNiO)(CH3)2	H(CCHN)	109.2480	0.000	1	109.2480	0.000	1	108.7053	0.429	29	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(NNiCC)(CCCS)(H)2	C(CHHN)(SNiW)(CH3)2	H(CCHN)	C(NNiCC)(CCCS)(H)2	C(CHHN)(SNiW)(CH3)2	H(CCHN)	108.6485	0.147	6	108.6485	0.022	6	108.7053	0.429	29	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:3:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:S-3:C-4:C-4:	C-4:	C(NNiCH)(CCCS)(H)2	C(CHHN)(SNiC)(CH3)2	H(CCHN)	C(NNiCH)(CCCS)(H)2	C(CHHN)(SNiC)(CH3)2	H(CCHN)	109.8120	0.007	2	109.8120	0.000	2	108.7053	0.429	29	108.4926	1.264	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2Cr)(CAsHH)(H)2	C(AsC[6a]2Cr)(CAsHH)(H)2	H(CAsCH)	C(AsC[6a]2Cr)(CAsHH)(H)2	C(AsC[6a]2Cr)(CAsHH)(H)2	H(CAsCH)	109.7885	0.066	2	109.7885	0.004	2	109.9690	0.940	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2Ga)(CAsHH)(H)2	C(AsC[6a]2Ga)(CAsHH)(H)2	H(CAsCH)	C(AsC[6a]2Ga)(CAsHH)(H)2	C(AsC[6a]2Ga)(CAsHH)(H)2	H(CAsCH)	109.3648	0.054	4	109.3648	0.003	4	109.9690	0.940	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2Pt)(CAsHH)(H)2	C(AsC[6a]2Pt)(CAsHH)(H)2	H(CAsCH)	C(AsC[6a]2Pt)(CAsHH)(H)2	C(AsC[6a]2Pt)(CAsHH)(H)2	H(CAsCH)	110.1172	1.079	24	110.1172	1.165	24	109.9690	0.940	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2S)(CAsHH)(H)2	C(AsC[6a]2S)(CAsHH)(H)2	H(CAsCH)	C(AsC[6a]2S)(CAsHH)(H)2	C(AsC[6a]2S)(CAsHH)(H)2	H(CAsCH)	109.5800	0.037	2	109.5800	0.001	2	109.9690	0.940	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2Pd)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CAsCH)	C(AsC[6a]2Pd)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CAsCH)	108.6453	0.062	4	108.6453	0.004	4	108.6644	0.114	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2Pt)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CAsCH)	C(AsC[6a]2Pt)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CAsCH)	108.2233	0.083	4	108.2233	0.007	4	108.6644	0.114	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]3)(CCHH)(H)2	C(CAsHH)(CHHS)(H)2	H(CAsCH)	C(AsC[6a]3)(CCHH)(H)2	C(CAsHH)(CHHS)(H)2	H(CAsCH)	108.7613	0.077	4	108.7613	0.006	4	108.6644	0.114	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(AsO3)(CCHH)(H)2	C(CAsHH)(CH3)(H)2	H(CAsCH)	C(AsO3)(CCHH)(H)2	C(CAsHH)(CH3)(H)2	H(CAsCH)	108.8098	0.382	10	108.8098	0.146	10	108.6644	0.114	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	As[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	C(CAs[5]HH)(CCHH)(H)2	H(CAs[5]CH)	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	C(CAs[5]HH)(CCHH)(H)2	H(CAs[5]CH)	108.8100	0.016	2	108.8100	0.000	2	108.8100	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CCHH)(H)2	C(CBHH)(CHHN)(H)2	H(CBCH)	C(BC[6a]2C)(CCHH)(H)2	C(CBHH)(CHHN)(H)2	H(CBCH)	107.1395	0.245	2	107.1395	0.060	2	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	108.1905	0.046	2	108.1905	0.002	2	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2H)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2H)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	107.7725	0.019	2	107.7725	0.000	2	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2N[5])(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2N[5])(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	H(CBCH)	107.5990	0.075	2	107.5990	0.006	2	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2O)(CCHH)(H)2	C(CBHH)(CCHH)(H)2	H(CBCH)	C(BC[6a]2O)(CCHH)(H)2	C(CBHH)(CCHH)(H)2	H(CBCH)	106.3610	0.071	2	106.3610	0.005	2	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2O)(CCHH)(H)2	C(CC[6a]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2O)(CCHH)(H)2	C(CC[6a]HH)(CBHH)(H)2	H(CBCH)	109.0800	0.000	1	109.0800	0.000	1	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2O)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2O)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CBCH)	108.3665	0.074	2	108.3665	0.006	2	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BN[5]3)(CCHH)(H)2	C(CBHH)(CCHH)(H)2	H(CBCH)	C(BN[5]3)(CCHH)(H)2	C(CBHH)(CCHH)(H)2	H(CBCH)	107.4657	0.059	4	107.4657	0.004	4	107.6354	0.485	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(BC[6a]3)(CHHN)(H)2	C(CBHH)(NC3)(H)2	H(CBCH)	C(BC[6a]3)(CHHN)(H)2	C(CBHH)(NC3)(H)2	H(CBCH)	108.8577	0.153	3	108.8577	0.024	3	108.8577	0.024	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CBCH)	108.4836	0.113	5	108.4836	0.013	5	108.5174	0.013	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2N[6])(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CBCH)	C(BC[6a]2N[6])(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CBHH)(H)2	H(CBCH)	108.6020	0.092	2	108.6020	0.008	2	108.5174	0.013	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2N[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CBHH)(H)2	H(CBCH)	C(BC[6a]2N[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CBHH)(H)2	H(CBCH)	109.1450	0.014	2	109.1450	0.000	2	109.1450	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6]2C)(CHHP)(H)2	C(PC[6a]2Ni)(CBHH)(H)2	H(CBCH)	C(BC[6]2C)(CHHP)(H)2	C(PC[6a]2Ni)(CBHH)(H)2	H(CBCH)	107.5885	0.018	2	107.5885	0.000	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CHHP)(H)2	C(PC[5,6]C[6a]2)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	C(PC[5,6]C[6a]2)(CBHH)(H)2	H(CBCH)	109.4500	0.004	2	109.4500	0.000	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	109.4305	0.158	4	109.4305	0.025	4	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]2Zr)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]2Zr)(CBHH)(H)2	H(CBCH)	109.5900	0.228	4	109.5900	0.052	4	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]CH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2C)(CHHP)(H)2	C(PC[6a]CH)(CBHH)(H)2	H(CBCH)	109.5170	0.027	2	109.5170	0.001	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2H)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	C(BC[6a]2H)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	110.2765	0.009	2	110.2765	0.000	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2H)(CHHP)(H)2	C(PC[6a]2H)(CBHH)(H)2	H(CBCH)	C(BC[6a]2H)(CHHP)(H)2	C(PC[6a]2H)(CBHH)(H)2	H(CBCH)	109.5190	0.013	2	109.5190	0.000	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2H)(CHHP)(H)2	C(PC[6a]CH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2H)(CHHP)(H)2	C(PC[6a]CH)(CBHH)(H)2	H(CBCH)	108.6435	0.039	2	108.6435	0.002	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2I)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	C(BC[6a]2I)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	108.6770	0.018	2	108.6770	0.000	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2O)(CHHP)(H)2	C(PC[6a]2C[5])(CBHH)(H)2	H(CBCH)	C(BC[6a]2O)(CHHP)(H)2	C(PC[6a]2C[5])(CBHH)(H)2	H(CBCH)	109.1480	0.633	4	109.1480	0.401	4	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2O)(CHHP)(H)2	C(PC[6a]2H)(CBHH)(H)2	H(CBCH)	C(BC[6a]2O)(CHHP)(H)2	C(PC[6a]2H)(CBHH)(H)2	H(CBCH)	109.3070	0.021	2	109.3070	0.000	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2O)(CHHP)(H)2	C(PC[6a]HH)(CBHH)(H)2	H(CBCH)	C(BC[6a]2O)(CHHP)(H)2	C(PC[6a]HH)(CBHH)(H)2	H(CBCH)	108.7300	0.000	1	108.7300	0.000	1	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]3)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	C(BC[6a]3)(CHHP)(H)2	C(PC[6a]2C)(CBHH)(H)2	H(CBCH)	109.1110	0.000	1	109.1110	0.000	1	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(BC[6a]3)(CHHP)(H)2	C(PC[6a]CC)(CBHH)(H)2	H(CBCH)	C(BC[6a]3)(CHHP)(H)2	C(PC[6a]CC)(CBHH)(H)2	H(CBCH)	107.6155	0.037	2	107.6155	0.001	2	109.1157	0.533	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2O)(CP[5]HH)(H)2	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	H(CBCH)	C(BC[6a]2O)(CP[5]HH)(H)2	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	H(CBCH)	108.4514	0.458	9	108.4514	0.210	9	108.4514	0.210	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	H(CB[6,6]CH)	108.5915	0.011	2	108.5915	0.000	2	108.3659	0.062	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CB[6,6]CH)	108.3091	0.221	23	108.3091	0.049	23	108.3659	0.062	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	H(CB[6,6]CH)	108.7940	0.033	2	108.7940	0.001	2	108.3659	0.062	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B[6,6]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(B[6,6]C[6,6]2O)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Re)(H)2	H(CB[6,6]CH)	C(B[6,6]C[6,6]2O)(CHHP)(H)2	C(CB[6,6]HH)(PC[6a]2Re)(H)2	H(CB[6,6]CH)	108.9600	0.031	2	108.9600	0.001	2	108.9600	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[6]N[5,6]2C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	H(CB[6]CH)	C(B[6]N[5,6]2C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	H(CB[6]CH)	107.8767	0.326	26	107.8767	0.107	26	107.9406	0.433	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	H(CB[6]CH)	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CB[6]HH)(CCHH)(H)2	H(CB[6]CH)	108.0446	0.994	16	108.0446	0.987	16	107.9406	0.433	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	B[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(B[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CB[6]HH)(H)2	H(CB[6]CH)	C(B[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CB[6]HH)(H)2	H(CB[6]CH)	108.7345	0.378	4	108.7345	0.143	4	108.7345	0.143	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:B-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(BO3)(H)2	C(CBHH)(CCHH)(H)2	H(CBCH)	C(CCHH)(BO3)(H)2	C(CBHH)(CCHH)(H)2	H(CBCH)	108.6090	0.727	55	108.6090	0.529	55	108.6090	0.529	55	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(Br)(H)	H(CBrCC)	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(Br)(H)	H(CBrCC)	107.1473	0.853	36	107.1473	0.728	36	107.2812	0.815	48	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CH3)(Br)(H)	H(CBrCC)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CH3)(Br)(H)	H(CBrCC)	108.7040	0.240	2	108.7040	0.058	2	107.2812	0.815	48	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)2(Br)(H)	H(CBrCC)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)2(Br)(H)	H(CBrCC)	109.0280	0.588	2	109.0280	0.346	2	107.2812	0.815	48	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	H(CBrCC)	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	H(CBrCC)	107.1605	0.127	2	107.1605	0.016	2	107.2812	0.815	48	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CHHO)(Br)(H)	C(CBrCH)2(Br)(H)	H(CBrCC)	C(CBrCH)(CHHO)(Br)(H)	C(CBrCH)2(Br)(H)	H(CBrCC)	107.5910	0.025	2	107.5910	0.001	2	107.2812	0.815	48	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)2(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	H(CBrCC)	C(CBrCH)2(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	H(CBrCC)	106.8060	0.488	2	106.8060	0.238	2	107.2812	0.815	48	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)2(Br)(H)	C(CBrCH)(CHHO)(Br)(H)	H(CBrCC)	C(CBrCH)2(Br)(H)	C(CBrCH)(CHHO)(Br)(H)	H(CBrCC)	106.8070	0.471	2	106.8070	0.222	2	107.2812	0.815	48	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CHHN)(Br)(H)	C(CBrCH)(CCHH)(Cl)(H)	H(CBrCC)	C(CClCH)(CHHN)(Br)(H)	C(CBrCH)(CCHH)(Cl)(H)	H(CBrCC)	106.6900	0.000	1	106.6900	0.000	1	106.6900	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	107.1498	0.850	35	107.1498	0.722	35	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(Br)(H)	C(CBrCH)(CHHN)(H)2	H(CBrCC)	C(CBrHH)(CCHH)(Br)(H)	C(CBrCH)(CHHN)(H)2	H(CBrCC)	105.6800	2.325	2	105.6800	5.405	2	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	107.1500	0.000	1	107.1500	0.000	1	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	108.4190	0.000	1	108.4190	0.000	1	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(Br)(H)	C(CC[6]HH)(CBrCH)(H)2	H(CBrCC)	C(CCCO)(CCHH)(Br)(H)	C(CC[6]HH)(CBrCH)(H)2	H(CBrCC)	109.8370	0.000	1	109.8370	0.000	1	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHO)(H)2	H(CBrCC)	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHO)(H)2	H(CBrCC)	105.2580	0.000	1	105.2580	0.000	1	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CH3)(H)2	H(CBrCC)	107.7070	0.404	6	107.7070	0.163	6	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Br)(H)	C(CC[3]HH)(CBrCH)(H)2	H(CBrCC)	C(CCHH)(CCHO)(Br)(H)	C(CC[3]HH)(CBrCH)(H)2	H(CBrCC)	105.4195	0.351	2	105.4195	0.124	2	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Br)(H)	C(CC[5]HO)(CBrCH)(H)2	H(CBrCC)	C(CCHH)(CCHO)(Br)(H)	C(CC[5]HO)(CBrCH)(H)2	H(CBrCC)	107.6865	0.759	2	107.6865	0.576	2	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	C(CCHH)2(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	107.2320	0.778	4	107.2320	0.605	4	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]BrH)(CCHH)(Br)(H)	C(CN[6]HH)(CBrCH)(H)2	H(CBrCC)	C(CC[6]BrH)(CCHH)(Br)(H)	C(CN[6]HH)(CBrCH)(H)2	H(CBrCC)	109.9510	0.000	1	109.9510	0.000	1	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	C(CC[6a]HO)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	107.1380	0.000	1	107.1380	0.000	1	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCC)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	C(CClCC)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	H(CBrCC)	108.1050	0.492	2	108.1050	0.242	2	107.2364	1.171	59	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CBrHH)(CHHN)(Br)(H)	C(CBrCH)(NFeHH)(H)2	H(CBrCC)	C(CBrHH)(CHHN)(Br)(H)	C(CBrCH)(NFeHH)(H)2	H(CBrCC)	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Br-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:	C(CC[6]BrH)(CCHH)(Br)(H)	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	H(CBrCC)	C(CC[6]BrH)(CCHH)(Br)(H)	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	H(CBrCC)	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Br)(H)	H(CClCC)	C(CBrCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Br)(H)	H(CClCC)	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CC[6a]HO)(CClCH)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	C(CC[6a]HO)(CClCH)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	108.2150	0.000	1	108.2150	0.000	1	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	106.7500	0.000	1	106.7500	0.000	1	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CClCC)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CClCC)	106.5340	1.290	2	106.5340	1.663	2	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Cl)(H)	H(CClCC)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Cl)(H)	H(CClCC)	106.9400	0.000	1	106.9400	0.000	1	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	107.5405	0.015	2	107.5405	0.000	2	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	107.6500	0.762	2	107.6500	0.581	2	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(Cl)(H)	H(CClCC)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(Cl)(H)	H(CClCC)	108.3199	1.190	7	108.3199	1.415	7	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	108.9803	0.721	3	108.9803	0.520	3	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CClCC)	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CClCC)	108.5144	1.315	7	108.5144	1.728	7	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	106.6750	0.000	1	106.6750	0.000	1	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	H(CClCC)	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	H(CClCC)	107.0540	0.313	2	107.0540	0.098	2	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)2(Cl)(H)	H(CClCC)	108.0323	0.081	3	108.0323	0.007	3	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(Cl)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	H(CClCC)	C(CClCH)2(Cl)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	H(CClCC)	107.0980	0.000	1	107.0980	0.000	1	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	C(CClCH)2(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	H(CClCC)	107.3550	0.440	2	107.3550	0.193	2	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CClCC)	C(CClCH)2(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CClCC)	107.4200	0.443	3	107.4200	0.196	3	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	H(CClCC)	C(CClCH)2(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	H(CClCC)	107.4073	0.445	3	107.4073	0.198	3	107.8367	1.064	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCC)(CCHH)(Cl)(H)	C(CClCH)2(H)2	H(CClCC)	C(CBrCC)(CCHH)(Cl)(H)	C(CClCH)2(H)2	H(CClCC)	110.7120	0.000	1	110.7120	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CBrCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	106.6630	0.000	1	106.6630	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	107.1857	0.701	4	107.1857	0.492	4	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHO)(H)2	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHO)(H)2	H(CClCC)	107.2030	0.000	1	107.2030	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	108.2503	0.399	3	108.2503	0.159	3	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(H)2	H(CClCC)	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(H)2	H(CClCC)	108.5507	0.270	4	108.5507	0.073	4	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	93.1538	0.000	1	93.1538	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CCHH)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	108.7265	0.012	2	108.7265	0.000	2	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(Cl)(H)	C(CC[5]HH)(CClCH)(H)2	H(CClCC)	C(CCHH)2(Cl)(H)	C(CC[5]HH)(CClCH)(H)2	H(CClCC)	108.5780	0.000	1	108.5780	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(Cl)(H)	C(CClCH)(CCCO)(H)2	H(CClCC)	C(CCHH)2(Cl)(H)	C(CClCH)(CCCO)(H)2	H(CClCC)	108.2785	0.158	2	108.2785	0.025	2	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CCHH)2(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	106.8510	0.030	2	106.8510	0.001	2	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(Cl)(H)	C(CClCH)(CCHO)(H)2	H(CClCC)	C(CCHH)2(Cl)(H)	C(CClCH)(CCHO)(H)2	H(CClCC)	108.5260	0.000	1	108.5260	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CC[5a]HH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	108.6730	0.000	1	108.6730	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	107.9150	0.000	1	107.9150	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	107.9537	1.697	4	107.9537	2.880	4	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CH3)(H)2	H(CClCC)	107.5135	0.013	2	107.5135	0.000	2	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	H(CClCC)	107.3500	0.000	1	107.3500	0.000	1	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(H)2	H(CClCC)	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(H)2	H(CClCC)	106.5365	1.572	2	106.5365	2.471	2	107.4735	7.517	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(Cl)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	H(CClCC)	C(CC[3]HH)(CH3)(Cl)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	H(CClCC)	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:Cl-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	C(C[5]C[5]N[5]H)(CClCH)(H)2	H(CClCC)	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	C(C[5]C[5]N[5]H)(CClCH)(H)2	H(CClCC)	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHH)(F)(H)	C(CC[6]FH)(CCFH)(F)(H)	H(CCCF)	C(CCFH)(CCHH)(F)(H)	C(CC[6]FH)(CCFH)(F)(H)	H(CCCF)	108.9365	0.351	2	108.9365	0.124	2	108.8935	0.175	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CHHO)(F)(H)	C(CCFH)2(F)(H)	H(CCCF)	C(CCFH)(CHHO)(F)(H)	C(CCFH)2(F)(H)	H(CCCF)	108.7370	0.000	1	108.7370	0.000	1	108.8935	0.175	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)2(F)(H)	C(CCFH)(CHHO)(F)(H)	H(CCCF)	C(CCFH)2(F)(H)	C(CCFH)(CHHO)(F)(H)	H(CCCF)	108.7310	0.000	1	108.7310	0.000	1	108.8935	0.175	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)2(F)(H)	C(CCFH)2(F)(H)	H(CCCF)	C(CCFH)2(F)(H)	C(CCFH)2(F)(H)	H(CCCF)	108.7920	0.000	1	108.7920	0.000	1	108.8935	0.175	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CC[6]FH)(CCFH)(F)(H)	C(CCFH)(CCHH)(F)(H)	H(CCCF)	C(CC[6]FH)(CCFH)(F)(H)	C(CCFH)(CCHH)(F)(H)	H(CCCF)	108.2455	0.657	2	108.2455	0.432	2	108.8935	0.175	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(CCFH)(F)(H)	C(CN[5]HH)(CCFH)(F)(H)	H(CCCF)	C(CC[6a]FH)(CCFH)(F)(H)	C(CN[5]HH)(CCFH)(F)(H)	H(CCCF)	109.2493	0.093	3	109.2493	0.009	3	108.8935	0.175	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CN[5]HH)(CCFH)(F)(H)	C(CC[6a]FH)(CCFH)(F)(H)	H(CCCF)	C(CN[5]HH)(CCFH)(F)(H)	C(CC[6a]FH)(CCFH)(F)(H)	H(CCCF)	109.0813	0.257	3	109.0813	0.066	3	108.8935	0.175	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFH)(CCHH)(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	C(CCFH)(CCHH)(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	108.9535	0.422	2	108.9535	0.178	2	109.9501	1.572	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	111.0435	1.614	2	111.0435	2.606	2	109.9501	1.572	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CHHO)(H)2	H(CCCF)	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CHHO)(H)2	H(CCCF)	107.0280	0.000	1	107.0280	0.000	1	109.9501	1.572	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	110.7977	0.672	6	110.7977	0.452	6	109.9501	1.572	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(F)(H)	C(CC[6a]HO)(CCFH)(H)2	H(CCCF)	C(CCHH)(CH3)(F)(H)	C(CC[6a]HO)(CCFH)(H)2	H(CCCF)	109.6410	0.032	3	109.6410	0.001	3	109.9501	1.572	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	C(CCHH)2(F)(H)	C(CCFH)(CCHH)(H)2	H(CCCF)	109.2130	0.000	1	109.2130	0.000	1	109.9501	1.572	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(F)(H)	C(CC[6a]CH)(CCFH)(H)2	H(CCCF)	C(CCHH)2(F)(H)	C(CC[6a]CH)(CCFH)(H)2	H(CCCF)	109.2580	0.000	1	109.2580	0.000	1	109.9501	1.572	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(F)(H)	C(CCFH)(NCHH)(H)2	H(CCCF)	C(CHHN)2(F)(H)	C(CCFH)(NCHH)(H)2	H(CCCF)	107.0955	0.009	2	107.0955	0.000	2	107.0955	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:F-1:H-1:	C[6]-4:C-4:F-1:H-1:	C-4:	C(CC[6]FH)(CCFH)(F)(H)	C(C[6]C[6]2H)(CCFH)(F)(H)	H(CCCF)	C(CC[6]FH)(CCFH)(F)(H)	C(C[6]C[6]2H)(CCFH)(F)(H)	H(CCCF)	108.2555	0.694	2	108.2555	0.481	2	108.2555	0.481	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pd)(CCHH)(H)2	H(CCCH)	108.1965	0.095	4	108.1965	0.009	4	108.0750	2.206	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pt)(CCHH)(H)2	H(CCCH)	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pt)(CCHH)(H)2	H(CCCH)	107.8748	0.388	4	107.8748	0.150	4	108.0750	2.206	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(CH3)(H)2	C(AsO3)(CCHH)(H)2	H(CCCH)	C(CAsHH)(CH3)(H)2	C(AsO3)(CCHH)(H)2	H(CCCH)	107.5545	1.976	10	107.5545	3.903	10	108.0750	2.206	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(CHHS)(H)2	C(AsC[6a]3)(CCHH)(H)2	H(CCCH)	C(CAsHH)(CHHS)(H)2	C(AsC[6a]3)(CCHH)(H)2	H(CCCH)	109.4550	0.241	4	109.4550	0.058	4	108.0750	2.206	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	As[5]-4:C-4:H-1:H-1:	C-4:	C(CAs[5]HH)(CCHH)(H)2	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CAs[5]HH)(CCHH)(H)2	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	H(CCCH)	108.8580	0.020	2	108.8580	0.000	2	108.8580	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	H(CCCH)	C(CBHH)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	H(CCCH)	108.1240	0.024	2	108.1240	0.001	2	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(CCHH)(H)2	C(BN[5]3)(CCHH)(H)2	H(CCCH)	C(CBHH)(CCHH)(H)2	C(BN[5]3)(CCHH)(H)2	H(CCCH)	108.9577	0.215	3	108.9577	0.046	3	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(CHHN)(H)2	C(BC[6a]2C)(CCHH)(H)2	H(CCCH)	C(CBHH)(CHHN)(H)2	C(BC[6a]2C)(CCHH)(H)2	H(CCCH)	109.6225	0.030	2	109.6225	0.001	2	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CBHH)(H)2	C(BC[6a]2N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CBHH)(H)2	C(BC[6a]2N[5])(CCHH)(H)2	H(CCCH)	109.3210	0.044	2	109.3210	0.002	2	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CBHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CBHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	H(CCCH)	108.7560	0.035	2	108.7560	0.001	2	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2C)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2C)(CCHH)(H)2	H(CCCH)	109.0935	0.036	2	109.0935	0.001	2	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2H)(CCHH)(H)2	H(CCCH)	108.1560	0.047	2	108.1560	0.002	2	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	H(CCCH)	107.9180	0.057	2	107.9180	0.003	2	108.7562	0.345	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(CCHH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	H(CCCH)	C(CB[6,6]HH)(CCHH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	H(CCCH)	108.4010	0.011	2	108.4010	0.000	2	109.0024	0.283	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	H(CCCH)	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	H(CCCH)	109.1045	0.515	22	109.1045	0.266	22	109.0024	0.283	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2S)(CCHH)(H)2	H(CCCH)	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2S)(CCHH)(H)2	H(CCCH)	108.4805	0.040	2	108.4805	0.002	2	109.0024	0.283	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5,6]2C)(CCHH)(H)2	H(CCCH)	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5,6]2C)(CCHH)(H)2	H(CCCH)	108.6073	0.152	24	108.6073	0.023	24	108.9619	1.114	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	H(CCCH)	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	H(CCCH)	109.4938	1.536	16	109.4938	2.358	16	108.9619	1.114	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C-4:	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	H(CCCH)	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	H(CCCH)	108.5253	0.403	55	108.5253	0.162	55	108.5253	0.162	55	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	H(CCCH)	108.8014	0.476	66	108.8014	0.226	66	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCCO)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCCO)(CCHH)(Br)(H)	H(CCCH)	109.0915	0.021	2	109.0915	0.000	2	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCHH)2(Br)(H)	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCHH)2(Br)(H)	H(CCCH)	108.3307	0.452	8	108.3307	0.204	8	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(Br)(H)	H(CCCH)	108.0370	0.024	2	108.0370	0.001	2	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(Br)(H)	H(CCCH)	109.0375	0.221	4	109.0375	0.049	4	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHO)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	C(CBrCH)(CCHO)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	108.6950	0.021	2	108.6950	0.000	2	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CH3)(H)2	C(CCCO)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CH3)(H)2	C(CCCO)(CCHH)(Br)(H)	H(CCCH)	109.0520	0.000	1	109.0520	0.000	1	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CH3)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	C(CBrCH)(CH3)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	108.6762	0.344	12	108.6762	0.118	12	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CHHN)(H)2	C(CBrHH)(CCHH)(Br)(H)	H(CCCH)	C(CBrCH)(CHHN)(H)2	C(CBrHH)(CCHH)(Br)(H)	H(CCCH)	107.5190	0.990	4	107.5190	0.981	4	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CC[3]HH)(CBrCH)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	C(CC[3]HH)(CBrCH)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	107.5733	0.081	4	107.5733	0.007	4	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CC[5]HO)(CBrCH)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	C(CC[5]HO)(CBrCH)(H)2	C(CCHH)(CCHO)(Br)(H)	H(CCCH)	108.1672	0.944	4	108.1672	0.891	4	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CC[6]HH)(CBrCH)(H)2	C(CCCO)(CCHH)(Br)(H)	H(CCCH)	C(CC[6]HH)(CBrCH)(H)2	C(CCCO)(CCHH)(Br)(H)	H(CCCH)	109.7025	2.245	2	109.7025	5.040	2	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CN[6]HH)(CBrCH)(H)2	C(CC[6]BrH)(CCHH)(Br)(H)	H(CCCH)	C(CN[6]HH)(CBrCH)(H)2	C(CC[6]BrH)(CCHH)(Br)(H)	H(CCCH)	108.6125	0.033	2	108.6125	0.001	2	108.6564	0.405	113	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]HH)(CClCH)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	C(CC[5]HH)(CClCH)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	108.8780	0.033	2	108.8780	0.001	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCCO)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	C(CClCH)(CCCO)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	108.1137	0.092	4	108.1137	0.008	4	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Cl)(H)	H(CCCH)	108.2220	0.072	2	108.2220	0.005	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	H(CCCH)	108.2495	0.361	8	108.2495	0.130	8	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHO)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHO)(Cl)(H)	H(CCCH)	108.7075	0.071	4	108.7075	0.005	4	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	108.3063	0.623	4	108.3063	0.388	4	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(Cl)(H)	H(CCCH)	108.6550	0.004	2	108.6550	0.000	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	H(CCCH)	108.5675	0.009	2	108.5675	0.000	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	H(CCCH)	108.2634	1.102	8	108.2634	1.214	8	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CClHH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CClHH)(CCHH)(Cl)(H)	H(CCCH)	108.7775	0.011	2	108.7775	0.000	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(Cl)(H)	H(CCCH)	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(Cl)(H)	H(CCCH)	107.1130	0.000	1	107.1130	0.000	1	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(H)2	C(CCHH)(CH3)(Cl)(H)	H(CCCH)	C(CClCH)(CCHO)(H)2	C(CCHH)(CH3)(Cl)(H)	H(CCCH)	108.6308	0.370	8	108.6308	0.137	8	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	C(CClCH)(CCHO)(H)2	C(CCHH)2(Cl)(H)	H(CCCH)	108.6420	0.016	2	108.6420	0.000	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(H)2	C(CCHH)(CCHO)(Cl)(H)	H(CCCH)	C(CClCH)(CH3)(H)2	C(CCHH)(CCHO)(Cl)(H)	H(CCCH)	108.6300	0.301	4	108.6300	0.091	4	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(H)2	C(CCHH)(CH3)(Cl)(H)	H(CCCH)	C(CClCH)(CH3)(H)2	C(CCHH)(CH3)(Cl)(H)	H(CCCH)	104.5315	0.054	2	104.5315	0.003	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(H)2	C(CClCH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CH3)(H)2	C(CClCH)(CCHH)(Cl)(H)	H(CCCH)	108.4840	0.404	4	108.4840	0.164	4	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CHHN)(H)2	C(CClHH)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)(CHHN)(H)2	C(CClHH)(CCHH)(Cl)(H)	H(CCCH)	108.1150	0.392	4	108.1150	0.154	4	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(H)2	C(CBrCC)(CCHH)(Cl)(H)	H(CCCH)	C(CClCH)2(H)2	C(CBrCC)(CCHH)(Cl)(H)	H(CCCH)	110.3625	1.727	2	110.3625	2.984	2	108.3532	0.908	65	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	109.0765	0.164	10	109.0765	0.027	10	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCHH)(CF3)(F)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCHH)(CF3)(F)2	H(CCCH)	108.8155	0.307	6	108.8155	0.094	6	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCHH)2(F)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCHH)2(F)2	H(CCCH)	108.8276	0.604	57	108.8276	0.365	57	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCHO)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CCFF)(CCHO)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	108.6750	0.000	1	108.6750	0.000	1	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CHHN)(H)2	C(CCHH)2(F)2	H(CCCH)	C(CCFF)(CHHN)(H)2	C(CCHH)2(F)2	H(CCCH)	108.0140	6.642	4	108.0140	44.119	4	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CHHS)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CCFF)(CHHS)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	109.2463	0.580	10	109.2463	0.337	10	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CC[4]HH)(CCFF)(H)2	C(CNiFF)(CCHH)(F)2	H(CCCH)	C(CC[4]HH)(CCFF)(H)2	C(CNiFF)(CCHH)(F)2	H(CCCH)	108.1472	0.081	4	108.1472	0.006	4	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CC[5]HH)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CC[5]HH)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	109.3230	0.047	4	109.3230	0.002	4	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CC[6a]CC)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CC[6a]CC)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	107.8954	0.355	7	107.8954	0.126	7	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CC[6a]CH)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CC[6a]CH)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	108.8365	0.030	2	108.8365	0.001	2	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CC[6a]CH)(CCFF)(H)2	C(CNiFF)(CCHH)(F)2	H(CCCH)	C(CC[6a]CH)(CCFF)(H)2	C(CNiFF)(CCHH)(F)2	H(CCCH)	108.2830	0.000	1	108.2830	0.000	1	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CN[5]HH)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	C(CN[5]HH)(CCFF)(H)2	C(CCFF)(CCHH)(F)2	H(CCCH)	108.9480	0.069	2	108.9480	0.005	2	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CN[5a]HH)(CCFF)(H)2	C(CCHH)(CF3)(F)2	H(CCCH)	C(CN[5a]HH)(CCFF)(H)2	C(CCHH)(CF3)(F)2	H(CCCH)	109.2885	0.022	2	109.2885	0.000	2	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CNiHH)(CCFF)(H)2	C(CNiFF)(CCHH)(F)2	H(CCCH)	C(CNiHH)(CCFF)(H)2	C(CNiFF)(CCHH)(F)2	H(CCCH)	110.4765	0.042	2	110.4765	0.002	2	108.8264	1.599	112	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(F)(H)	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(F)(H)	H(CCCH)	108.6625	0.233	4	108.6625	0.054	4	108.2096	0.789	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHN)(F)(H)	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHN)(F)(H)	H(CCCH)	108.4240	0.844	4	108.4240	0.712	4	108.2096	0.789	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	H(CCCH)	107.6121	1.148	12	107.6121	1.317	12	108.2096	0.789	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCHH)2(F)(H)	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCHH)2(F)(H)	H(CCCH)	108.4810	0.038	2	108.4810	0.001	2	108.2096	0.789	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CHHO)(H)2	C(CCHH)(CCHN)(F)(H)	H(CCCH)	C(CCFH)(CHHO)(H)2	C(CCHH)(CCHN)(F)(H)	H(CCCH)	108.5955	0.025	2	108.5955	0.001	2	108.2096	0.789	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CC[6a]CH)(CCFH)(H)2	C(CCHH)2(F)(H)	H(CCCH)	C(CC[6a]CH)(CCFH)(H)2	C(CCHH)2(F)(H)	H(CCCH)	108.7640	0.013	2	108.7640	0.000	2	108.2096	0.789	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CC[6a]HO)(CCFH)(H)2	C(CCHH)(CH3)(F)(H)	H(CCCH)	C(CC[6a]HO)(CCFH)(H)2	C(CCHH)(CH3)(F)(H)	H(CCCH)	108.5557	0.343	6	108.5557	0.118	6	108.2096	0.789	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAgCH)(CCHH)(H)2	C(CAgCH)(CCHH)(H)2	H(CCCH)	C(CAgCH)(CCHH)(H)2	C(CAgCH)(CCHH)(H)2	H(CCCH)	106.5458	0.079	6	106.5458	0.006	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAlHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CAlHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.2447	0.484	8	108.2447	0.234	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAlHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CAlHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.1055	0.013	2	109.1055	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CCCH)	C(CAsHH)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	H(CCCH)	108.0465	0.323	8	108.0465	0.105	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAsHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CAsHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4855	1.357	2	109.4855	1.841	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAs[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CAs[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8705	0.029	2	108.8705	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAuCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CAuCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.1440	0.081	2	109.1440	0.006	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CAuHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CAuHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.4485	0.050	2	109.4485	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CBCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.1317	0.314	12	108.1317	0.099	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CBHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7274	0.232	28	108.7274	0.054	28	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBHH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CBHH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.0990	0.033	2	108.0990	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CBHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5315	0.226	32	108.5315	0.051	32	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5365	0.015	2	108.5365	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CB[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CB[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3450	0.360	4	108.3450	0.130	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CB[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9410	0.065	2	108.9410	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CB[6,6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.4180	0.008	2	108.4180	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CB[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CB[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5412	0.753	44	108.5412	0.567	44	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CBeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.1595	0.036	2	108.1595	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCC)(CCHH)(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	C(CBrCC)(CCHH)(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	108.0455	0.019	2	108.0455	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	108.7363	0.586	55	108.7363	0.343	55	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.0790	0.441	4	108.0790	0.194	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.0970	0.000	1	109.0970	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8594	0.418	10	108.8594	0.175	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(H)2	H(CCCH)	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(H)2	H(CCCH)	109.2225	0.005	2	109.2225	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.3230	0.467	16	109.3230	0.218	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	109.5945	0.015	2	109.5945	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0134	0.629	51	109.0134	0.396	51	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	109.4150	0.035	2	109.4150	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	109.1068	0.623	9	109.1068	0.388	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	108.7990	0.027	2	108.7990	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.3280	0.076	2	109.3280	0.006	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	110.1145	0.026	2	110.1145	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.2789	0.528	16	109.2789	0.278	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CBrHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.7520	0.028	2	108.7520	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCCF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.2845	0.016	2	109.2845	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCF)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCCF)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.1270	0.000	1	108.1270	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	107.9827	0.015	4	107.9827	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.2691	0.580	23	108.2691	0.336	23	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	108.3079	0.812	9	108.3079	0.659	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCP)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCP)(CCHH)(H)2	H(CCCH)	109.3550	2.838	4	109.3550	8.054	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	108.3653	0.505	4	108.3653	0.255	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.3321	0.448	21	108.3321	0.201	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.4152	1.377	36	109.4152	1.895	36	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	107.7634	1.451	10	107.7634	2.104	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.7071	0.217	9	108.7071	0.047	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4108	0.730	412	108.4108	0.533	412	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	108.0253	0.232	13	108.0253	0.054	13	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	108.5935	0.215	17	108.5935	0.046	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.6352	0.534	28	108.6352	0.285	28	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	108.7875	0.098	8	108.7875	0.010	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.6397	0.484	4	108.6397	0.235	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	109.4695	1.681	2	109.4695	2.825	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	109.0525	0.035	2	109.0525	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.5214	0.269	8	108.5214	0.072	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	108.5735	2.152	4	108.5735	4.630	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	108.8623	0.146	4	108.8623	0.021	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	108.0830	0.021	2	108.0830	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	108.7103	0.128	3	108.7103	0.016	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.3975	0.060	2	108.3975	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	109.0895	0.050	2	109.0895	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	107.6762	0.525	5	107.6762	0.276	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.2845	0.067	4	108.2845	0.004	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.2350	0.175	6	108.2350	0.031	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.2400	0.190	5	108.2400	0.036	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	107.6350	0.013	2	107.6350	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	108.5284	0.119	7	108.5284	0.014	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	108.1065	0.028	2	108.1065	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.1398	2.007	10	109.1398	4.027	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	108.6885	0.409	15	108.6885	0.168	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.4188	0.165	12	108.4188	0.027	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.3367	0.201	14	108.3367	0.041	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.0899	0.836	48	108.0899	0.698	48	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	107.9905	0.054	2	107.9905	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.5350	0.059	2	108.5350	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	107.9390	0.000	1	107.9390	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	108.4230	0.000	1	108.4230	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCP)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCCP)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.1330	2.426	4	109.1330	5.884	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCP)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCCP)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.2375	0.276	4	107.2375	0.076	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCS)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCCS)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	105.6510	2.055	2	105.6510	4.222	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.0100	0.283	4	109.0100	0.080	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	109.3010	0.471	11	109.3010	0.222	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.0320	1.621	6	109.0320	2.628	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.9933	0.301	10	108.9933	0.090	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6971	0.181	41	108.6971	0.033	41	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCFF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.8970	0.042	4	108.8970	0.002	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	108.6587	0.215	4	108.6587	0.046	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0900	0.498	8	109.0900	0.248	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCFH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0791	0.895	8	109.0791	0.801	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	107.6100	0.000	1	107.6100	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4988	0.284	4	108.4988	0.080	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.2385	0.025	2	108.2385	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	108.7240	0.008	2	108.7240	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(H)2	H(CCCH)	108.2546	1.217	93	108.2546	1.482	93	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	107.6303	0.046	4	107.6303	0.002	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	108.4595	0.050	2	108.4595	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CMoCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CMoCH)(CCHH)(H)2	H(CCCH)	107.8280	0.020	2	107.8280	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.5515	0.012	2	108.5515	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.0245	0.039	2	108.0245	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHI)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CCHI)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.6305	0.045	2	108.6305	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.6004	1.533	17	108.6004	2.351	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCl3)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCl3)(H)2	H(CCCH)	109.3388	0.036	6	109.3388	0.001	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6486	0.273	56	108.6486	0.075	56	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.7206	1.070	149	108.7206	1.144	149	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8135	0.013	2	108.8135	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.1740	0.000	1	108.1740	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4135	0.876	374	108.4135	0.767	374	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[5]HI)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[5]HI)(CCHH)(H)2	H(CCCH)	109.0030	0.069	2	109.0030	0.005	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	108.4650	0.042	2	108.4650	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.2635	0.016	4	108.2635	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	108.2687	0.041	3	108.2687	0.002	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.1915	0.062	2	108.1915	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.5609	0.419	21	108.5609	0.176	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	108.9628	0.192	11	108.9628	0.037	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.5955	0.008	2	108.5955	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	109.4605	2.196	17	109.4605	4.822	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.5358	0.610	62	108.5358	0.373	62	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.2806	1.077	23	108.2806	1.161	23	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.1173	1.094	3	108.1173	1.198	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.7340	0.402	20	108.7340	0.162	20	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6479	0.823	304	108.6479	0.677	304	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	108.0495	0.026	2	108.0495	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.7741	0.320	12	108.7741	0.102	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	107.7140	0.771	6	107.7140	0.594	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.7610	0.016	2	108.7610	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	108.1140	0.011	2	108.1140	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.5657	0.138	3	108.5657	0.019	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	108.3190	0.006	2	108.3190	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	108.6348	0.124	5	108.6348	0.015	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.3380	0.169	3	108.3380	0.029	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CSiCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CSiCO)(CCHH)(H)2	H(CCCH)	109.1325	0.005	2	109.1325	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCHP)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5397	0.468	9	108.5397	0.219	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHP)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	109.2560	0.040	2	109.2560	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHP)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.8433	0.275	3	108.8433	0.076	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4905	0.540	17	108.4905	0.291	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3830	0.825	34	108.3830	0.680	34	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	108.6768	0.775	5	108.6768	0.601	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	109.7897	0.111	4	109.7897	0.012	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	107.9515	0.423	4	107.9515	0.179	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.7200	0.018	2	108.7200	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCII)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCII)(H)2	C(CCHH)2(H)2	H(CCCH)	108.2350	0.065	2	108.2350	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCNS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCNS)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5940	0.040	2	108.5940	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCOO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CCOO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8912	0.944	33	108.8912	0.892	33	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.4130	0.018	2	108.4130	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCl3)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CCl3)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.7923	0.111	6	108.7923	0.012	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CF3)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.8570	0.016	2	108.8570	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CF3)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8735	0.386	6	108.8735	0.149	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CF3)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.8517	0.051	4	108.8517	0.003	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CF3)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.7410	0.013	2	108.7410	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CF3)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	109.1495	0.046	2	109.1495	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CFFH)(H)2	C(CN[5]CF)(CCHH)(H)2	H(CCCH)	C(CCHH)(CFFH)(H)2	C(CN[5]CF)(CCHH)(H)2	H(CCCH)	109.3330	0.013	2	109.3330	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CAlHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CAlHH)(CCHH)(H)2	H(CCCH)	109.1439	0.580	7	109.1439	0.336	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CAs[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CAs[5]HH)(CCHH)(H)2	H(CCCH)	108.9520	0.008	2	108.9520	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CAuCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CAuCH)(CCHH)(H)2	H(CCCH)	108.7255	0.040	2	108.7255	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CAuHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CAuHH)(CCHH)(H)2	H(CCCH)	109.2775	0.018	2	109.2775	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	109.0487	0.234	26	109.0487	0.055	26	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CB[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CB[6]HH)(CCHH)(H)2	H(CCCH)	108.8635	0.645	42	108.8635	0.416	42	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CBeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CBeHH)(CCHH)(H)2	H(CCCH)	108.8730	0.000	1	108.8730	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.5365	1.901	32	109.5365	3.614	32	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	108.9723	0.325	4	108.9723	0.105	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.2549	0.166	14	109.2549	0.027	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCCS)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCCS)(CCHH)(H)2	H(CCCH)	111.0935	1.331	2	111.0935	1.773	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	108.4280	0.238	8	108.4280	0.057	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	109.0298	0.358	4	109.0298	0.128	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.9244	0.480	57	108.9244	0.230	57	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.8256	0.417	21	108.8256	0.174	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	109.0218	0.353	18	109.0218	0.124	18	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	107.9230	3.044	17	107.9230	9.268	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9396	0.985	8331	108.9396	0.970	8331	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.9116	1.451	585	108.9116	2.106	585	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.8862	0.513	693	108.8862	0.263	693	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	109.1779	0.718	92	109.1779	0.516	92	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	109.1826	0.202	5	109.1826	0.041	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CHOP)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CHOP)(H)2	H(CCCH)	120.8495	19.974	2	120.8495	398.947	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)(CLi3)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)(CLi3)(H)2	H(CCCH)	108.7635	0.029	4	108.7635	0.001	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6818	1.610	7413	108.6818	2.593	7413	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	108.7580	0.008	2	108.7580	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	108.8356	0.205	16	108.8356	0.042	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CCCH)	109.0498	0.624	12	109.0498	0.390	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[3x5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[3x5,6]HH)(CCHH)(H)2	H(CCCH)	108.1380	1.686	2	108.1380	2.842	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[3x6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[3x6]CH)(CCHH)(H)2	H(CCCH)	109.2120	0.000	1	109.2120	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CCCH)	108.8140	0.181	10	108.8140	0.033	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	107.4680	2.000	6	107.4680	4.001	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	H(CCCH)	108.7432	0.425	6	108.7432	0.180	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	109.2880	0.000	1	109.2880	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5,6,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5,6,6]HH)(CCHH)(H)2	H(CCCH)	108.3870	0.000	1	108.3870	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	108.4912	0.731	10	108.4912	0.534	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	109.1915	0.026	2	109.1915	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	109.0854	0.179	29	109.0854	0.032	29	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.7722	1.476	222	108.7722	2.179	222	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	109.2723	0.013	3	109.2723	0.000	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	109.1975	0.058	4	109.1975	0.003	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5]HS)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5]HS)(CCHH)(H)2	H(CCCH)	109.1410	0.010	2	109.1410	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	109.1395	0.156	11	109.1395	0.024	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]2H)(CCHH)(H)2	H(CCCH)	109.2025	0.028	2	109.2025	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	108.9615	0.186	8	108.9615	0.035	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]C[6a]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]C[6a]H)(CCHH)(H)2	H(CCCH)	109.1995	0.033	2	109.1995	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	108.8339	0.962	212	108.8339	0.925	212	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5a]HN)(CCHH)(H)2	H(CCCH)	109.3990	0.000	1	109.3990	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CCCH)	109.0102	0.277	4	109.0102	0.077	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	109.9507	2.410	8	109.9507	5.808	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	109.0952	0.644	22	109.0952	0.414	22	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.8639	0.551	161	108.8639	0.304	161	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6]HN)(CCHH)(H)2	H(CCCH)	108.7125	0.008	2	108.7125	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	109.0420	0.310	196	109.0420	0.096	196	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	108.9015	0.018	2	108.9015	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	109.1008	0.221	26	109.1008	0.049	26	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	109.2015	0.026	2	109.2015	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	109.1937	0.099	3	109.1937	0.010	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.7892	1.501	286	108.7892	2.252	286	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	109.0535	0.088	4	109.0535	0.008	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	109.2240	0.180	7	109.2240	0.033	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCoHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCoHH)(CCHH)(H)2	H(CCCH)	109.0433	0.150	8	109.0433	0.023	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CCu2C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CCu2C)(CCHH)(H)2	H(CCCH)	109.3755	0.526	10	109.3755	0.277	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CDyOO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CDyOO)(CCHH)(H)2	H(CCCH)	109.6165	1.316	4	109.6165	1.731	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CGeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CGeHH)(CCHH)(H)2	H(CCCH)	108.7480	0.257	8	108.7480	0.066	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CHfHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CHfHH)(CCHH)(H)2	H(CCCH)	108.7350	0.093	4	108.7350	0.009	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	108.9830	0.048	2	108.9830	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CMgHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CMgHH)(CCHH)(H)2	H(CCCH)	108.5660	0.496	36	108.5660	0.246	36	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CMnOO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CMnOO)(CCHH)(H)2	H(CCCH)	108.6745	0.012	2	108.6745	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[3x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[3x6]HH)(CCHH)(H)2	H(CCCH)	109.3272	0.511	10	109.3272	0.261	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	109.2095	0.029	2	109.2095	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[5,5]HH)(CCHH)(H)2	H(CCCH)	109.1325	0.011	2	109.1325	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	108.7957	0.499	9	108.7957	0.249	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.9125	0.902	1002	108.9125	0.813	1002	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.0028	0.974	198	109.0028	0.948	198	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	109.4002	0.108	4	109.4002	0.012	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.0394	1.333	255	109.0394	1.777	255	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	108.7833	1.436	67	108.7833	2.062	67	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CNiHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CNiHH)(CCHH)(H)2	H(CCCH)	108.9753	0.352	6	108.9753	0.124	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	109.1557	0.184	14	109.1557	0.034	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CCCH)	109.1873	0.129	4	109.1873	0.017	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CP[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CP[6]HH)(CCHH)(H)2	H(CCCH)	109.2600	0.034	2	109.2600	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	108.9297	0.058	4	108.9297	0.003	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CPtHP)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CPtHP)(CCHH)(H)2	H(CCCH)	108.7095	0.042	2	108.7095	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CRh2C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CRh2C)(CCHH)(H)2	H(CCCH)	108.8670	0.045	2	108.8670	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	108.9564	0.428	8	108.9564	0.184	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CSiCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CSiCC)(CCHH)(H)2	H(CCCH)	109.3404	0.181	8	109.3404	0.033	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	108.8841	0.249	21	108.8841	0.062	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CSiHN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CSiHN)(CCHH)(H)2	H(CCCH)	108.8325	0.201	4	108.8325	0.040	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CCCH)	108.8085	0.029	2	108.8085	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CSnHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CSnHH)(CCHH)(H)2	H(CCCH)	109.0051	0.679	235	109.0051	0.461	235	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CZnHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CZnHH)(CCHH)(H)2	H(CCCH)	108.6070	0.024	2	108.6070	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CZrHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CZrHH)(CCHH)(H)2	H(CCCH)	108.3682	0.563	6	108.3682	0.317	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.2267	0.441	6	109.2267	0.194	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8920	0.052	2	108.8920	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHI)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHHI)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7993	0.312	6	108.7993	0.097	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHI)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHI)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.7255	0.018	2	109.7255	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHI)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHI)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.4755	0.016	2	109.4755	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CB[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CB[5]HH)(CCHH)(H)2	H(CCCH)	109.5565	0.063	2	109.5565	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCCF)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCCF)(CCHH)(H)2	H(CCCH)	109.4035	0.042	2	109.4035	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	107.8280	1.609	10	107.8280	2.590	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	109.3217	0.728	6	109.3217	0.529	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	109.2013	1.176	6	109.2013	1.383	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.1640	0.051	2	108.1640	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHI)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHI)(H)2	H(CCCH)	107.7495	0.021	2	107.7495	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	109.2161	1.281	150	109.2161	1.640	150	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	107.4685	0.423	4	107.4685	0.179	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	108.8855	0.019	2	108.8855	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.4246	0.925	8279	109.4246	0.856	8279	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	109.4837	0.754	6	109.4837	0.568	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9105	0.973	764	108.9105	0.946	764	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.9879	0.433	29	108.9879	0.187	29	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.4610	0.041	2	108.4610	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(COPP)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(COPP)(H)2	H(CCCH)	109.8100	0.997	21	109.8100	0.994	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9928	1.386	1998	108.9928	1.922	1998	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	109.1185	0.068	4	109.1185	0.005	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.4295	0.006	2	108.4295	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	108.8410	0.034	2	108.8410	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	108.6628	0.283	5	108.6628	0.080	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.8576	0.302	19	108.8576	0.091	19	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6a]2O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6a]2O)(CCHH)(H)2	H(CCCH)	108.6094	0.761	14	108.6094	0.579	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	108.9748	1.124	16	108.9748	1.262	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.1609	0.387	23	109.1609	0.150	23	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	108.9535	0.479	2	108.9535	0.229	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	108.4107	0.345	6	108.4107	0.119	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	109.3215	0.013	2	109.3215	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	108.9280	0.004	2	108.9280	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.0460	0.400	12	109.0460	0.160	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.6677	3.102	3	108.6677	9.625	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	107.8865	0.072	6	107.8865	0.005	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.5518	0.686	13	108.5518	0.471	13	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	108.7923	0.144	4	108.7923	0.021	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CAlHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CAlHH)(CCHH)(H)2	H(CCCH)	108.8745	0.006	2	108.8745	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.0137	0.252	15	109.0137	0.064	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.8751	0.582	10	108.8751	0.339	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	109.3225	0.300	11	109.3225	0.090	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	109.0860	0.017	2	109.0860	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.9286	0.327	21	108.9286	0.107	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8201	1.482	588	108.8201	2.196	588	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	108.8710	0.028	2	108.8710	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9465	0.268	28	108.9465	0.072	28	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8594	0.742	276	108.8594	0.550	276	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.8851	0.343	12	108.8851	0.118	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)(CN3)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)(CN3)(H)2	H(CCCH)	109.4288	0.464	6	109.4288	0.215	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9175	0.781	1480	108.9175	0.611	1480	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	109.2775	0.711	8	109.2775	0.506	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	109.3350	0.021	4	109.3350	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	109.2865	0.152	2	109.2865	0.023	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.7319	0.174	7	108.7319	0.030	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	109.3345	0.357	6	109.3345	0.127	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	108.9622	0.263	8	108.9622	0.069	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	109.2290	0.000	1	109.2290	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	109.4800	0.055	2	109.4800	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	109.1782	1.204	14	109.1782	1.451	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	109.2482	0.389	6	109.2482	0.151	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[6a]CN)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[6a]CN)(CCHH)(H)2	H(CCCH)	109.4470	0.040	2	109.4470	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.0761	0.774	11	109.0761	0.599	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	109.8615	0.008	2	109.8615	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	107.6570	1.770	7	107.6570	3.131	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CFeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CFeHH)(CCHH)(H)2	H(CCCH)	109.9990	1.640	2	109.9990	2.691	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.5812	0.390	4	109.5812	0.152	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.9199	0.161	8	108.9199	0.026	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.1942	0.429	37	109.1942	0.184	37	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	108.4175	0.011	2	108.4175	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	108.8860	0.000	1	108.8860	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	108.7828	0.355	10	108.7828	0.126	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(CTeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(CTeHH)(CCHH)(H)2	H(CCCH)	108.4870	0.019	4	108.4870	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	109.0130	0.024	2	109.0130	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0451	0.444	706	109.0451	0.197	706	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.9234	0.187	12	108.9234	0.035	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.5779	0.858	315	108.5779	0.736	315	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0138	0.437	308	109.0138	0.191	308	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.4333	0.039	4	109.4333	0.001	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CO[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CO[5]HH)(CCHH)(H)2	H(CCCH)	109.1245	0.021	2	109.1245	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.3705	0.029	2	109.3705	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.9535	0.005	2	108.9535	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0410	0.719	92	109.0410	0.517	92	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.8775	0.012	2	109.8775	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	109.0310	0.783	150	109.0310	0.613	150	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9428	0.473	258	108.9428	0.224	258	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.5144	0.264	5	108.5144	0.070	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.4150	0.000	1	108.4150	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	108.2555	0.026	2	108.2555	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHW)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHHW)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5377	0.098	6	108.5377	0.010	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHW)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHHW)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8200	0.016	4	108.8200	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHW)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHW)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.6475	0.035	2	108.6475	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(CBrCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHOO)(H)2	C(CBrCC)(CCHH)(H)2	H(CCCH)	108.3895	0.050	2	108.3895	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)(CHOO)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.8815	0.012	2	108.8815	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CHOO)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7640	0.092	4	108.7640	0.008	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHOO)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHOO)(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	108.9700	0.000	1	108.9700	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHOP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CHOP)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	107.5285	1.657	2	107.5285	2.745	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CLi3)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)(CLi3)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.1407	0.079	4	108.1407	0.006	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CN3)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)(CN3)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.5360	1.648	6	109.5360	2.716	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNOY)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CNOY)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8407	1.335	4	108.8407	1.783	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CNPP)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(CNPP)(H)2	C(CCHH)2(H)2	H(CCCH)	107.6980	0.021	3	107.6980	0.000	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COOU)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(COOU)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0985	0.695	20	109.0985	0.484	20	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COPP)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)(COPP)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.4459	0.895	21	108.4459	0.800	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(COPP)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)(COPP)(H)2	C(CCHH)2(H)2	H(CCCH)	108.0896	0.379	8	108.0896	0.144	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CAsHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CAsHH)(CCHH)(H)2	H(CCCH)	106.7705	1.641	2	106.7705	2.694	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CBCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CBCH)(CCHH)(H)2	H(CCCH)	107.8453	0.225	10	107.8453	0.051	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CBHH)(CCHH)(H)2	H(CCCH)	108.9659	0.305	28	108.9659	0.093	28	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	108.6165	0.052	2	108.6165	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CB[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CB[5]CH)(CCHH)(H)2	H(CCCH)	107.7212	0.429	4	107.7212	0.184	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	H(CCCH)	107.6210	0.000	1	107.6210	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	107.8932	1.370	8	107.8932	1.877	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.0182	0.983	56	109.0182	0.966	56	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCCF)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCCF)(CCHH)(H)2	H(CCCH)	107.6830	0.040	2	107.6830	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.6856	0.794	419	108.6856	0.630	419	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	108.8222	0.335	5	108.8222	0.112	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.1534	0.679	47	109.1534	0.461	47	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCCP)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCCP)(CCHH)(H)2	H(CCCH)	108.1210	0.250	4	108.1210	0.062	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	109.1579	0.188	39	109.1579	0.035	39	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCFH)(CCHH)(H)2	H(CCCH)	108.3170	0.671	8	108.3170	0.451	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.7658	0.986	85	108.7658	0.973	85	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.3809	1.011	372	108.3809	1.023	372	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.6715	1.018	305	108.6715	1.035	305	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	H(CCCH)	108.7051	0.273	11	108.7051	0.075	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	108.1569	0.475	32	108.1569	0.226	32	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCII)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCII)(H)2	H(CCCH)	108.5675	0.063	2	108.5675	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCNS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCNS)(H)2	H(CCCH)	109.2180	0.042	2	109.2180	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CCOO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CCOO)(H)2	H(CCCH)	108.9586	1.551	31	108.9586	2.406	31	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	109.4106	0.055	5	109.4106	0.003	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5304	1.633	7412	108.5304	2.668	7412	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	109.4674	0.190	5	109.4674	0.036	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.8187	1.037	1971	108.8187	1.075	1971	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8498	0.707	1486	108.8498	0.500	1486	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.8383	0.638	300	108.8383	0.407	300	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.8999	0.645	254	108.8999	0.415	254	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	108.5090	0.048	4	108.5090	0.002	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	109.2450	0.168	4	109.2450	0.028	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CNOY)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CNOY)(H)2	H(CCCH)	109.0078	2.398	4	109.0078	5.749	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(CNPP)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CNPP)(H)2	H(CCCH)	109.4105	0.100	4	109.4105	0.010	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(COOU)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(COOU)(H)2	H(CCCH)	108.9545	0.340	17	108.9545	0.115	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)(COPP)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(COPP)(H)2	H(CCCH)	109.1280	0.376	7	109.1280	0.142	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)2(H)2	H(CCCH)	108.6483	1.103	35550	108.6483	1.217	35550	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	H(CCCH)	108.5775	0.251	2	108.5775	0.063	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3,5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3,5,6]HH)(CCHH)(H)2	H(CCCH)	110.0760	1.360	2	110.0760	1.851	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	H(CCCH)	107.9638	0.505	6	107.9638	0.255	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	108.4104	0.855	34	108.4104	0.731	34	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3]HN)(CCHH)(H)2	H(CCCH)	107.5092	0.786	6	107.5092	0.618	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	H(CCCH)	107.9855	1.102	8	107.9855	1.215	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3a]CC)(CCHH)(H)2	H(CCCH)	109.5635	1.579	32	109.5635	2.493	32	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	H(CCCH)	109.6695	0.032	2	109.6695	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CCCH)	108.8137	0.342	4	108.8137	0.117	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CCCH)	108.7775	0.019	2	108.7775	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[4,5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[4,5]HH)(CCHH)(H)2	H(CCCH)	108.0230	0.000	1	108.0230	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[4]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[4]CH)(CCHH)(H)2	H(CCCH)	108.0525	0.032	2	108.0525	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	108.5093	0.872	102	108.5093	0.761	102	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[4]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[4]HO)(CCHH)(H)2	H(CCCH)	108.1682	0.180	5	108.1682	0.033	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[4]HS)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[4]HS)(CCHH)(H)2	H(CCCH)	108.1160	0.006	2	108.1160	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5,5,6]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5,5,6]CO)(CCHH)(H)2	H(CCCH)	108.7883	0.112	9	108.7883	0.012	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5,6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5,6]CC)(CCHH)(H)2	H(CCCH)	108.7754	0.108	7	108.7754	0.012	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CCCH)	108.6982	0.100	9	108.6982	0.010	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]2C)(CCHH)(H)2	H(CCCH)	108.6700	0.107	4	108.6700	0.011	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]2H)(CCHH)(H)2	H(CCCH)	109.2285	0.037	2	109.2285	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	109.2990	0.000	1	109.2990	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	108.8396	0.959	19	108.8396	0.920	19	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.9471	0.556	227	108.9471	0.309	227	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	108.9115	0.069	2	108.9115	0.005	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.6060	1.342	485	108.6060	1.801	485	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	109.0150	0.144	4	109.0150	0.021	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	108.4433	0.427	15	108.4433	0.183	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]HS)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]HS)(CCHH)(H)2	H(CCCH)	104.3135	4.553	2	104.3135	20.730	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5]RuH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5]RuH)(CCHH)(H)2	H(CCCH)	108.6340	0.000	1	108.6340	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	108.4482	0.576	65	108.4482	0.332	65	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	109.5980	0.995	3	109.5980	0.990	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]2H)(CCHH)(H)2	H(CCCH)	109.1600	0.021	2	109.1600	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	H(CCCH)	108.5252	0.216	22	108.5252	0.047	22	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	108.5728	0.895	382	108.5728	0.800	382	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]HN)(CCHH)(H)2	H(CCCH)	108.8840	0.059	2	108.8840	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5a]NN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5a]NN)(CCHH)(H)2	H(CCCH)	106.3410	0.034	2	106.3410	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CCCH)	108.4991	0.514	8	108.4991	0.265	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	110.5435	0.845	2	110.5435	0.714	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]2C)(CCHH)(H)2	H(CCCH)	109.3381	0.310	8	109.3381	0.096	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]2H)(CCHH)(H)2	H(CCCH)	108.8615	0.033	2	108.8615	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]2N)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]2N)(CCHH)(H)2	H(CCCH)	109.4890	0.017	2	109.4890	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]2O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]2O)(CCHH)(H)2	H(CCCH)	107.7660	0.000	1	107.7660	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]AsH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]AsH)(CCHH)(H)2	H(CCCH)	108.4560	0.023	2	108.4560	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	108.3285	0.456	17	108.3285	0.208	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	108.3398	0.328	16	108.3398	0.108	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]ClC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]ClC)(CCHH)(H)2	H(CCCH)	107.5880	0.000	1	107.5880	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.4568	0.709	520	108.4568	0.502	520	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	108.7305	0.351	4	108.7305	0.123	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]HP)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]HP)(CCHH)(H)2	H(CCCH)	108.5411	0.398	12	108.5411	0.158	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]MnO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]MnO)(CCHH)(H)2	H(CCCH)	108.7832	0.122	4	108.7832	0.015	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6]PdC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6]PdC)(CCHH)(H)2	H(CCCH)	108.2335	0.070	2	108.2335	0.005	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]2C)(CCHH)(H)2	H(CCCH)	108.7611	0.276	7	108.7611	0.076	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	H(CCCH)	108.7719	0.393	59	108.7719	0.155	59	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]2N)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]2N)(CCHH)(H)2	H(CCCH)	109.1060	0.000	1	109.1060	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]2O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]2O)(CCHH)(H)2	H(CCCH)	109.3145	0.013	2	109.3145	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	109.1173	0.490	9	109.1173	0.240	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	108.8451	0.582	30	108.8451	0.338	30	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	H(CCCH)	108.2997	2.101	6	108.2997	4.414	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]C[5]O)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]C[5]O)(CCHH)(H)2	H(CCCH)	109.0660	0.000	1	109.0660	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	H(CCCH)	108.9376	0.151	8	108.9376	0.023	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.5656	0.849	604	108.5656	0.721	604	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	H(CCCH)	108.8396	0.133	5	108.8396	0.018	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	108.7799	0.259	11	108.7799	0.067	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CC[6a]HS)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CC[6a]HS)(CCHH)(H)2	H(CCCH)	108.9360	0.000	1	108.9360	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CClCC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CClCC)(CCHH)(H)2	H(CCCH)	109.6330	0.618	4	109.6330	0.382	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	108.7208	0.698	17	108.7208	0.488	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	109.0264	0.384	19	109.0264	0.147	19	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCo2C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCo2C)(CCHH)(H)2	H(CCCH)	108.8501	0.088	8	108.8501	0.008	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCoCC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCoCC)(CCHH)(H)2	H(CCCH)	109.0975	0.009	2	109.0975	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCoCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCoCH)(CCHH)(H)2	H(CCCH)	108.8620	0.000	1	108.8620	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCoHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCoHH)(CCHH)(H)2	H(CCCH)	108.3720	0.183	4	108.3720	0.034	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCoOO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCoOO)(CCHH)(H)2	H(CCCH)	108.6787	0.100	6	108.6787	0.010	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCuCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCuCH)(CCHH)(H)2	H(CCCH)	109.3955	6.198	2	109.3955	38.413	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCuOO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCuOO)(CCHH)(H)2	H(CCCH)	109.0295	0.050	2	109.0295	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CFeCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CFeCH)(CCHH)(H)2	H(CCCH)	108.8922	1.958	4	108.8922	3.835	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CGeCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CGeCH)(CCHH)(H)2	H(CCCH)	106.7290	0.000	1	106.7290	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CHfNN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CHfNN)(CCHH)(H)2	H(CCCH)	109.0049	0.577	10	109.0049	0.333	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	108.5198	1.091	96	108.5198	1.191	96	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CIrHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CIrHH)(CCHH)(H)2	H(CCCH)	109.4617	0.444	3	109.4617	0.197	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CMgHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CMgHH)(CCHH)(H)2	H(CCCH)	109.4300	0.861	4	109.4300	0.741	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CMgNN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CMgNN)(CCHH)(H)2	H(CCCH)	108.7464	0.590	11	108.7464	0.349	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CMnOO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CMnOO)(CCHH)(H)2	H(CCCH)	108.8037	0.090	6	108.8037	0.008	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	H(CCCH)	109.1018	1.054	12	109.1018	1.111	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[3x6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[3x6]HH)(CCHH)(H)2	H(CCCH)	108.8302	0.309	22	108.8302	0.095	22	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[4]HH)(CCHH)(H)2	H(CCCH)	108.7442	0.215	6	108.7442	0.046	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5]CH)(CCHH)(H)2	H(CCCH)	108.5596	0.547	117	108.5596	0.299	117	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.6841	1.025	592	108.6841	1.051	592	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5a]CH)(CCHH)(H)2	H(CCCH)	108.5567	0.294	4	108.5567	0.086	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.8870	0.409	258	108.8870	0.167	258	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6,6]HH)(CCHH)(H)2	H(CCCH)	109.4720	0.007	2	109.4720	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6]CH)(CCHH)(H)2	H(CCCH)	107.6559	1.478	16	107.6559	2.184	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.6674	0.685	379	108.6674	0.469	379	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6]HO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6]HO)(CCHH)(H)2	H(CCCH)	108.6885	0.009	2	108.6885	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6a]CH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6a]CH)(CCHH)(H)2	H(CCCH)	108.2322	0.629	28	108.2322	0.396	28	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	108.8646	0.384	95	108.8646	0.147	95	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CNiCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CNiCH)(CCHH)(H)2	H(CCCH)	107.7472	0.781	22	107.7472	0.610	22	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CNiHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CNiHH)(CCHH)(H)2	H(CCCH)	108.9145	0.073	4	108.9145	0.005	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	108.6568	0.707	10	108.6568	0.500	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CCCH)	108.6675	0.028	2	108.6675	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	108.3422	0.300	6	108.3422	0.090	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CPdCO)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CPdCO)(CCHH)(H)2	H(CCCH)	108.1920	0.008	2	108.1920	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.3530	0.537	26	108.3530	0.288	26	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	108.9580	0.066	4	108.9580	0.004	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CRhCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CRhCH)(CCHH)(H)2	H(CCCH)	108.2812	0.230	41	108.2812	0.053	41	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CRhHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CRhHH)(CCHH)(H)2	H(CCCH)	108.6685	0.043	2	108.6685	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CRu2C)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CRu2C)(CCHH)(H)2	H(CCCH)	109.1320	0.018	2	109.1320	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CRuCC)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CRuCC)(CCHH)(H)2	H(CCCH)	108.8885	0.026	2	108.8885	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	108.8886	1.693	34	108.8886	2.867	34	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CScNN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CScNN)(CCHH)(H)2	H(CCCH)	108.9543	0.132	9	108.9543	0.017	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	H(CCCH)	109.6086	1.921	14	109.6086	3.691	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	108.8050	0.816	50	108.8050	0.666	50	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CSmNN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CSmNN)(CCHH)(H)2	H(CCCH)	108.8650	0.037	2	108.8650	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CSnHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CSnHH)(CCHH)(H)2	H(CCCH)	108.6371	0.417	15	108.6371	0.174	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CSnNN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CSnNN)(CCHH)(H)2	H(CCCH)	109.0968	2.031	25	109.0968	4.123	25	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CTiNN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CTiNN)(CCHH)(H)2	H(CCCH)	108.7025	0.030	2	108.7025	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CZrNN)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CZrNN)(CCHH)(H)2	H(CCCH)	109.0995	0.013	2	109.0995	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.6835	0.483	2	109.6835	0.233	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,5,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3,5,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4115	1.754	2	108.4115	3.078	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[3,5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.0695	0.239	13	108.0695	0.057	13	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]CH)(CCHH)(H)2	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	107.9187	0.040	3	107.9187	0.002	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	108.7350	0.040	2	108.7350	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3,5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4627	0.738	6	108.4627	0.544	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[3,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8540	0.004	2	108.8540	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[3,6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.3203	0.142	4	108.3203	0.020	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CC[3,6]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	108.2605	0.042	2	108.2605	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]CH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	C(CC[3]CH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	108.5773	0.031	3	108.5773	0.001	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CC[3]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.1974	1.132	8	108.1974	1.281	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.9439	0.426	16	108.9439	0.181	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9677	0.188	15	108.9677	0.035	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9650	0.046	4	108.9650	0.002	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5731	0.698	27	108.5731	0.488	27	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	108.0860	0.027	2	108.0860	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	108.8050	0.018	2	108.8050	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	108.5451	0.800	92	108.5451	0.640	92	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.0198	0.751	6	108.0198	0.564	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4537	0.381	8	108.4537	0.145	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3a]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3a]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0075	2.284	32	109.0075	5.217	32	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5230	0.037	2	108.5230	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8733	0.524	11	108.8733	0.275	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.2935	0.106	4	109.2935	0.011	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x5,6,6]HH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CC[3x5,6,6]HH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	108.7930	0.000	1	108.7930	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x5,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[3x5,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.3115	1.001	2	109.3115	1.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[3x6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8260	0.000	1	108.8260	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8374	0.296	10	108.8374	0.087	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9675	0.025	2	108.9675	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4,3x6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[4,3x6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.6222	0.129	5	108.6222	0.017	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[4,5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5425	0.023	2	108.5425	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	H(CCCH)	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	H(CCCH)	108.1933	0.177	3	108.1933	0.031	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4,6]HH)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	H(CCCH)	C(CC[4,6]HH)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	H(CCCH)	108.1192	0.143	4	108.1192	0.020	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]CC)(CCHH)(H)2	C(CC[4]CC)(CCHH)(H)2	H(CCCH)	C(CC[4]CC)(CCHH)(H)2	C(CC[4]CC)(CCHH)(H)2	H(CCCH)	107.8572	0.107	4	107.8572	0.011	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[4]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0640	0.000	1	109.0640	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.4310	0.016	2	109.4310	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	107.3830	2.777	6	107.3830	7.709	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5415	0.864	109	108.5415	0.746	109	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	107.8660	0.011	2	107.8660	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	108.3881	0.193	16	108.3881	0.037	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	106.3216	15.262	6	106.3216	232.921	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	107.3870	0.035	2	107.3870	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[4]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3610	0.301	6	108.3610	0.091	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]HS)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[4]HS)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8380	0.016	2	108.8380	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]CO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5,5,6]CO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.0265	0.141	10	108.0265	0.020	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5,5,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.1125	0.236	6	109.1125	0.056	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]CH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[5,5]CH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.7788	0.640	4	108.7788	0.410	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	109.0955	0.013	2	109.0955	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8410	0.000	1	108.8410	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(CC[3x5,6,6]HH)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(CC[3x5,6,6]HH)(CCHH)(H)2	H(CCCH)	109.0500	0.000	1	109.0500	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	H(CCCH)	108.0185	0.013	2	108.0185	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(CC[5]HI)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(CC[5]HI)(CCHH)(H)2	H(CCCH)	108.0815	0.026	2	108.0815	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.1395	0.037	2	108.1395	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5,6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.0995	0.021	2	108.0995	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5,6]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.8881	0.142	8	107.8881	0.020	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.4189	0.847	9	109.4189	0.717	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.8999	1.242	8	109.8999	1.542	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6367	0.498	10	108.6367	0.248	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.7647	0.180	4	107.7647	0.033	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6935	0.033	2	108.6935	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5225	0.049	2	108.5225	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.1075	0.021	2	108.1075	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]BrH)(CCHH)(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	108.5490	0.693	4	108.5490	0.481	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]BrH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	108.7370	0.013	2	108.7370	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.3812	0.045	4	108.3812	0.002	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.0393	0.617	19	108.0393	0.381	19	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	107.4055	0.019	2	107.4055	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	107.9000	0.034	2	107.9000	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	108.6705	0.018	2	108.6705	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.2230	0.994	25	108.2230	0.988	25	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	108.7080	0.000	1	108.7080	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.4212	0.465	12	108.4212	0.216	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6345	0.286	30	108.6345	0.082	30	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.4840	0.263	2	108.4840	0.069	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4362	0.628	220	108.4362	0.395	220	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CC[3]CH)(CCHH)(H)2	H(CCCH)	107.5951	0.476	8	107.5951	0.226	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	109.1255	0.004	4	109.1255	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.0090	0.028	2	109.0090	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	108.3177	0.622	6	108.3177	0.387	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	107.8243	0.511	6	107.8243	0.261	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	107.0988	0.066	6	107.0988	0.004	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3170	0.082	2	108.3170	0.007	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	107.8740	0.007	2	107.8740	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]ClH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]ClH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	108.1410	0.000	1	108.1410	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]FF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]FF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.2461	0.110	7	108.2461	0.012	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	108.9593	0.362	9	108.9593	0.131	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.5825	0.868	4	108.5825	0.753	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	108.5535	0.025	2	108.5535	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.6925	0.023	2	108.6925	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	109.5663	0.107	3	109.5663	0.011	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9824	0.635	226	108.9824	0.403	226	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.3045	0.064	2	108.3045	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8688	0.444	8	108.8688	0.197	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHW)(H)2	H(CCCH)	108.7420	0.000	1	108.7420	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6610	1.001	486	108.6610	1.003	486	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	108.2817	0.090	4	108.2817	0.008	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	H(CCCH)	108.7685	0.060	2	108.7685	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.5410	0.030	4	108.5410	0.001	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	H(CCCH)	108.8820	0.025	2	108.8820	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.5307	1.034	71	108.5307	1.069	71	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	107.9710	0.016	2	107.9710	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	107.0145	0.112	2	107.0145	0.013	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.6339	0.202	14	108.6339	0.041	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.8647	0.471	6	108.8647	0.222	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CN[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CN[5,5]HH)(CCHH)(H)2	H(CCCH)	108.2455	0.033	2	108.2455	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.4028	0.709	12	108.4028	0.502	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.5397	0.384	4	108.5397	0.148	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.0190	1.988	4	109.0190	3.951	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	108.7637	0.232	7	108.7637	0.054	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CCCH)	108.9162	0.069	4	108.9162	0.005	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HI)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CC[5]HI)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	109.3110	0.018	2	109.3110	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HI)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HI)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	107.7710	0.042	2	107.7710	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7980	0.039	3	108.7980	0.002	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8738	0.092	4	108.8738	0.008	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HN)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.5480	0.030	2	108.5480	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.2075	0.015	2	109.2075	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	H(CCCH)	109.2460	0.006	2	109.2460	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7310	0.028	3	108.7310	0.001	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4935	0.508	13	108.4935	0.258	13	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CCCH)	109.0880	0.008	2	109.0880	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CC[5]BrH)(CCHH)(H)2	H(CCCH)	108.4690	0.042	2	108.4690	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.8970	0.000	1	108.8970	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	H(CCCH)	108.7660	0.010	2	108.7660	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HS)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5]HS)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7280	0.042	2	108.7280	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HS)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]HS)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	101.1090	11.400	2	101.1090	129.958	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]RuH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5]RuH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.5320	0.013	2	109.5320	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5154	0.333	10	108.5154	0.111	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.0280	0.114	5	108.0280	0.013	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.2331	0.226	62	108.2331	0.051	62	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CC[5a]2C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	108.4580	0.071	4	108.4580	0.005	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.0855	0.064	2	108.0855	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2C[6a])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CC[5a]2C[6a])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	108.8455	0.025	2	108.8455	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9605	0.011	2	108.9605	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6545	0.021	2	108.6545	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9064	0.224	8	108.9064	0.050	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.7680	0.081	2	108.7680	0.006	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.0872	0.908	20	108.0872	0.824	20	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[5]C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CC[5a]C[5]C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	108.0923	0.627	4	108.0923	0.394	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]C[6a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6270	0.000	1	108.6270	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.1180	0.974	2	109.1180	0.949	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6904	2.111	205	108.6904	4.456	205	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9902	0.349	6	108.9902	0.122	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.9292	0.519	8	108.9292	0.269	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7720	0.922	378	108.7720	0.850	378	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	113.9930	0.706	2	113.9930	0.498	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	109.0129	0.393	9	109.0129	0.154	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	H(CCCH)	106.3295	0.019	2	106.3295	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.5690	0.035	2	108.5690	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.0555	0.018	2	108.0555	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3055	0.067	2	108.3055	0.005	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]NN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5a]NN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0255	0.011	2	109.0255	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.5870	0.137	3	109.5870	0.019	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8779	0.465	8	108.8779	0.216	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.0860	0.000	1	109.0860	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0926	1.728	8	109.0926	2.987	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	110.2835	0.593	2	110.2835	0.352	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	107.9890	0.018	2	107.9890	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.4940	0.007	2	108.4940	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3984	0.406	8	108.3984	0.165	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7755	0.025	2	108.7755	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]2N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]2N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.1960	0.027	2	107.1960	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]2O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]2O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1235	0.016	2	109.1235	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]AsH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]AsH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3375	0.015	2	109.3375	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.0790	0.028	2	108.0790	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.2540	0.008	2	108.2540	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.4904	0.480	14	107.4904	0.231	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CCCH)	107.5978	3.357	94	107.5978	11.273	94	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	106.4480	0.052	2	106.4480	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5213	0.367	21	108.5213	0.135	21	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.2485	0.111	2	108.2485	0.012	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9889	1.155	15	108.9889	1.334	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	H(CCCH)	107.7165	0.019	2	107.7165	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	H(CCCH)	107.5374	0.497	33	107.5374	0.247	33	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]ClC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]ClC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.1085	0.053	2	107.1085	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	108.7766	0.376	8	108.7766	0.141	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9630	0.906	166	108.9630	0.820	166	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.6342	0.317	16	108.6342	0.100	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8087	0.237	12	108.8087	0.056	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5524	0.813	525	108.5524	0.660	525	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	107.9030	0.310	4	107.9030	0.096	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[5,5]CH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[5,5]CH)(CCHH)(H)2	H(CCCH)	108.3843	0.189	4	108.3843	0.036	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.5658	0.142	13	108.5658	0.020	13	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	107.8430	0.014	2	107.8430	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.8052	1.288	46	108.8052	1.659	46	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	H(CCCH)	107.7960	0.059	2	107.7960	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[6]OO)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[6]OO)(CCHH)(H)2	H(CCCH)	108.1455	0.015	2	108.1455	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.8465	0.076	2	108.8465	0.006	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.7401	0.412	7	108.7401	0.169	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.4273	0.191	6	108.4273	0.037	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CN[5a]HO)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CN[5a]HO)(CCHH)(H)2	H(CCCH)	108.2080	0.024	2	108.2080	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.4859	0.453	8	108.4859	0.206	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CCCH)	108.0750	0.000	1	108.0750	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HI)(CCHH)(H)2	C(CC[6]HN)(CCHH)(H)2	H(CCCH)	C(CC[6]HI)(CCHH)(H)2	C(CC[6]HN)(CCHH)(H)2	H(CCCH)	109.1880	0.103	2	109.1880	0.011	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5300	0.023	2	108.5300	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HN)(CCHH)(H)2	C(CC[6]HI)(CCHH)(H)2	H(CCCH)	C(CC[6]HN)(CCHH)(H)2	C(CC[6]HI)(CCHH)(H)2	H(CCCH)	108.4220	0.013	2	108.4220	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1330	0.562	4	109.1330	0.315	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	107.8915	0.078	2	107.8915	0.006	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HP)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]HP)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7953	0.659	12	108.7953	0.434	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]MnO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]MnO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.1463	0.316	4	108.1463	0.100	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]OO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6]OO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.2595	0.016	2	108.2595	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]PdC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6]PdC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8925	0.013	2	108.8925	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9230	0.174	7	108.9230	0.030	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	108.5962	0.129	6	108.5962	0.017	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8240	0.352	196	108.8240	0.124	196	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CHOO)(H)2	H(CCCH)	109.2265	0.016	2	109.2265	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9516	0.294	64	108.9516	0.086	64	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]2N)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9440	0.000	1	108.9440	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.1657	0.641	12	108.1657	0.411	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9910	0.014	2	108.9910	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]BrH)(CCHH)(H)2	C(CC[6a]BrH)(CCHH)(H)2	H(CCCH)	C(CC[6a]BrH)(CCHH)(H)2	C(CC[6a]BrH)(CCHH)(H)2	H(CCCH)	109.4935	0.021	2	109.4935	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	107.6980	0.020	2	107.6980	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	108.9652	0.157	4	108.9652	0.025	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.2025	0.025	2	108.2025	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.2019	0.418	8	108.2019	0.174	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	108.4150	0.017	2	108.4150	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.7700	0.033	2	108.7700	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.0620	1.887	4	109.0620	3.561	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.8750	0.014	2	108.8750	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5677	0.368	32	108.5677	0.135	32	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.5125	1.457	15	108.5125	2.124	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.1068	0.126	6	109.1068	0.016	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5191	0.440	31	108.5191	0.194	31	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.7470	0.023	2	108.7470	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CN)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[6a]CN)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.6420	0.000	1	108.6420	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7670	0.013	2	108.7670	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5820	0.961	6	108.5820	0.924	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[5]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]C[5]O)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4930	0.072	2	108.4930	0.005	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4900	0.127	3	108.4900	0.016	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6861	0.530	9	108.6861	0.281	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]FF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]FF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.0782	0.151	6	108.0782	0.023	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	108.6825	0.019	2	108.6825	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.4855	0.084	2	109.4855	0.007	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	H(CCCH)	108.5763	0.095	4	108.5763	0.009	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.4530	0.163	4	108.4530	0.026	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.9160	0.014	4	108.9160	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.5847	0.158	4	108.5847	0.025	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	108.5727	0.074	4	108.5727	0.005	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCOO)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCOO)(H)2	H(CCCH)	108.6535	0.005	2	108.6535	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	109.0260	0.047	2	109.0260	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6603	2.204	289	108.6603	4.860	289	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	109.1845	0.509	24	109.1845	0.259	24	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.4878	0.817	12	109.4878	0.668	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.8455	0.172	4	108.8455	0.030	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8167	0.763	627	108.8167	0.582	627	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	H(CCCH)	108.4868	0.103	5	108.4868	0.011	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CCCH)	109.6660	0.034	2	109.6660	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CCCH)	108.1380	0.000	1	108.1380	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	108.5595	0.012	2	108.5595	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]FF)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]FF)(CCHH)(H)2	H(CCCH)	108.7888	0.192	8	108.7888	0.037	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.9932	0.361	6	108.9932	0.130	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]HN)(CCHH)(H)2	H(CCCH)	109.2980	0.011	2	109.2980	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CCCH)	108.0733	0.336	3	108.0733	0.113	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.8170	0.103	2	108.8170	0.011	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	H(CCCH)	109.2915	0.037	2	109.2915	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	H(CCCH)	109.0885	0.052	2	109.0885	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]FF)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]FF)(CCHH)(H)2	H(CCCH)	108.3808	0.284	6	108.3808	0.081	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.2154	0.485	28	109.2154	0.235	28	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.6683	0.108	10	108.6683	0.012	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.3672	0.328	6	108.3672	0.108	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.0130	0.293	13	109.0130	0.086	13	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(COsHH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(COsHH)(CCHH)(H)2	H(CCCH)	109.1912	0.110	4	109.1912	0.012	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.5890	0.099	4	108.5890	0.010	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	107.9663	1.108	4	107.9663	1.229	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CF3)(H)2	H(CCCH)	109.1130	0.000	1	109.1130	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0203	0.230	4	109.0203	0.053	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.3830	0.187	2	108.3830	0.035	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6332	0.238	6	108.6332	0.057	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.8795	0.021	2	108.8795	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.5573	0.158	4	108.5573	0.025	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.3830	0.025	2	108.3830	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	107.9592	0.980	6	107.9592	0.961	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4268	0.323	9	108.4268	0.104	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	C(CC[6a]HO)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(H)2	H(CCCH)	108.5059	0.261	8	108.5059	0.068	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HS)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CC[6a]HS)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4905	0.018	2	109.4905	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]PtC)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CC[6a]PtC)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.3180	0.023	2	108.3180	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCC)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	C(CClCC)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	H(CCCH)	108.4265	0.042	2	108.4265	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CClCC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.6755	0.591	4	109.6755	0.350	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	107.7635	0.032	2	107.7635	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4706	0.140	8	108.4706	0.019	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.5610	0.018	2	108.5610	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7743	1.249	17	108.7743	1.559	17	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	108.9400	0.084	4	108.9400	0.007	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CClCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.6370	0.000	1	108.6370	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.8910	0.000	1	108.8910	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	107.6817	2.467	8	107.6817	6.088	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1139	0.409	18	109.1139	0.167	18	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	H(CCCH)	109.0057	0.067	3	109.0057	0.004	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	H(CCCH)	108.8160	0.024	2	108.8160	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CC[5a]C[5]C)(CCHH)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CC[5a]C[5]C)(CCHH)(H)2	H(CCCH)	108.9553	0.146	3	108.9553	0.021	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.6930	0.028	2	109.6930	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CClHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	107.9575	2.683	2	107.9575	7.201	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCo2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCo2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7511	0.289	7	108.7511	0.084	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoCC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCoCC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6560	0.018	2	108.6560	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCoCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8835	0.045	2	108.8835	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoCH)(CCHH)(H)2	C(CCoCH)(CCHH)(H)2	H(CCCH)	C(CCoCH)(CCHH)(H)2	C(CCoCH)(CCHH)(H)2	H(CCCH)	109.2121	0.511	130	109.2121	0.261	130	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCoHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.1414	0.591	8	109.1414	0.349	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCoHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4270	0.983	3	108.4270	0.966	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoOO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCoOO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5415	0.426	6	108.5415	0.181	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCrHH)(CCHH)(H)2	C(CCrHH)(CCHH)(H)2	H(CCCH)	C(CCrHH)(CCHH)(H)2	C(CCrHH)(CCHH)(H)2	H(CCCH)	109.6058	4.647	4	109.6058	21.599	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCu2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CCu2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.4338	0.369	10	109.4338	0.136	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCuCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCuCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.5345	6.465	2	109.5345	41.797	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCuCH)(CCHH)(H)2	C(CCuCH)(CCHH)(H)2	H(CCCH)	C(CCuCH)(CCHH)(H)2	C(CCuCH)(CCHH)(H)2	H(CCCH)	109.1984	0.459	11	109.1984	0.210	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCuOO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCuOO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3340	0.044	2	109.3340	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CDyOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CDyOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.5228	0.711	4	109.5228	0.506	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CFeCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CFeCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.2417	0.704	4	108.2417	0.495	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CFeCH)(CCHH)(H)2	C(CFeCH)(CCHH)(H)2	H(CCCH)	C(CFeCH)(CCHH)(H)2	C(CFeCH)(CCHH)(H)2	H(CCCH)	109.1348	0.721	48	109.1348	0.520	48	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CFeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CFeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.8745	0.767	2	108.8745	0.589	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CGeCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CGeCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.4110	0.058	2	107.4110	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CGeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.5507	0.243	8	108.5507	0.059	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHfHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CHfHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9123	0.116	4	108.9123	0.013	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHfNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CHfNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.7040	0.768	10	109.7040	0.590	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIr2C)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CIr2C)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	109.9735	0.159	4	109.9735	0.025	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	107.8530	0.261	4	107.8530	0.068	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0660	0.000	1	109.0660	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8535	1.640	99	108.8535	2.690	99	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CIr2C)(CCHH)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CIr2C)(CCHH)(H)2	H(CCCH)	109.3740	0.117	4	109.3740	0.014	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	108.9494	0.627	2515	108.9494	0.394	2515	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CIrHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8632	0.328	4	108.8632	0.108	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMgCC)(CCHH)(H)2	C(CMgCC)(CCHH)(H)2	H(CCCH)	C(CMgCC)(CCHH)(H)2	C(CMgCC)(CCHH)(H)2	H(CCCH)	108.1664	0.372	10	108.1664	0.138	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMgHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CMgHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.3751	0.494	38	108.3751	0.244	38	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMgHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CMgHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	106.6602	1.137	4	106.6602	1.293	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMgNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CMgNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7695	0.163	11	108.7695	0.027	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMnOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CMnOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4125	0.071	2	108.4125	0.005	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMnOO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CMnOO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6492	0.133	6	108.6492	0.018	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMoCH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CMoCH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	109.2320	0.007	2	109.2320	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMoCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CMoCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7611	1.135	14	108.7611	1.289	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMoCH)(CCHH)(H)2	C(CMoCH)(CCHH)(H)2	H(CCCH)	C(CMoCH)(CCHH)(H)2	C(CMoCH)(CCHH)(H)2	H(CCCH)	108.0555	1.306	23	108.0555	1.706	23	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.4167	0.309	10	109.4167	0.095	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.8686	0.370	22	109.8686	0.137	22	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9440	0.025	2	108.9440	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.3840	0.013	2	108.3840	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1970	0.570	6	109.1970	0.325	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[5,5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.5550	0.007	2	109.5550	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[5,5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.3535	0.006	2	108.3535	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]CF)(CCHH)(H)2	C(CCHH)(CFFH)(H)2	H(CCCH)	C(CN[5]CF)(CCHH)(H)2	C(CCHH)(CFFH)(H)2	H(CCCH)	109.4510	0.023	2	109.4510	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.3456	0.201	9	108.3456	0.040	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4814	0.530	120	108.4814	0.281	120	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	H(CCCH)	108.8715	0.008	2	108.8715	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.3825	0.009	2	109.3825	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	109.6180	0.006	2	109.6180	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	H(CCCH)	108.4540	0.010	2	108.4540	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	H(CCCH)	108.9970	0.024	2	108.9970	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0556	1.007	1011	109.0556	1.014	1011	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9258	0.548	12	108.9258	0.300	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.2224	0.413	5	109.2224	0.171	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.6818	0.417	6	108.6818	0.174	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9986	0.872	599	108.9986	0.761	599	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.5681	0.782	9	108.5681	0.612	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.4670	0.623	9	108.4670	0.389	9	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.7701	0.137	10	108.7701	0.019	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.0576	0.698	199	109.0576	0.487	199	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	108.6201	0.809	12	108.6201	0.655	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	109.5250	1.472	4	109.5250	2.165	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9190	0.034	4	108.9190	0.001	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.1532	0.165	16	109.1532	0.027	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7870	2.452	189	108.7870	6.011	189	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	109.2495	0.039	2	109.2495	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	107.9600	3.127	4	107.9600	9.779	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.7785	0.202	8	108.7785	0.041	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	108.4070	0.010	2	108.4070	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9607	0.543	263	108.9607	0.294	263	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	108.5247	0.318	4	108.5247	0.101	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.5828	0.129	6	108.5828	0.017	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.6473	0.741	6	108.6473	0.549	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	H(CCCH)	108.6600	0.006	2	108.6600	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	109.1460	0.013	2	109.1460	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	109.5339	1.170	11	109.5339	1.368	11	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	H(CCCH)	109.2244	0.530	87	109.2244	0.281	87	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.1625	0.016	2	108.1625	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4885	0.006	2	109.4885	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6750	0.363	4	108.6750	0.132	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	107.9900	0.321	6	107.9900	0.103	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.7883	1.031	16	107.7883	1.064	16	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	H(CCCH)	109.8780	0.031	2	109.8780	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.4290	0.014	2	108.4290	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.1257	0.824	257	109.1257	0.679	257	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	H(CCCH)	109.5250	0.000	1	109.5250	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.8822	0.812	12	108.8822	0.659	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.3875	0.311	37	109.3875	0.097	37	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.9719	1.192	379	108.9719	1.420	379	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	111.1475	0.781	4	111.1475	0.610	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	H(CCCH)	109.3505	0.062	2	109.3505	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.2774	0.586	7	108.2774	0.343	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.9442	0.465	14	108.9442	0.216	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	H(CCCH)	110.2505	0.047	2	110.2505	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CCCH)	108.7855	1.452	4	108.7855	2.107	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CCCH)	108.9687	0.597	76	108.9687	0.357	76	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.3480	0.000	1	108.3480	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4333	0.623	27	108.4333	0.388	27	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6532	7.090	67	108.6532	50.273	67	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	108.2535	0.011	2	108.2535	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.2407	0.695	106	109.2407	0.484	106	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	109.2277	0.211	6	109.2277	0.045	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	C(CN[6a]HH)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CCCH)	109.2972	0.277	6	109.2972	0.076	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CNiCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CNiCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8387	0.856	22	108.8387	0.734	22	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CNiCH)(CCHH)(H)2	C(CNiCH)(CCHH)(H)2	H(CCCH)	C(CNiCH)(CCHH)(H)2	C(CNiCH)(CCHH)(H)2	H(CCCH)	109.0108	0.564	136	109.0108	0.318	136	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CNiHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CNiHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4225	0.266	6	108.4225	0.070	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CNiHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CNiHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7070	0.101	4	108.7070	0.010	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CO[5]HH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CO[5]HH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	110.2255	0.025	2	110.2255	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(COsCH)(CCHH)(H)2	C(COsCH)(CCHH)(H)2	H(CCCH)	C(COsCH)(CCHH)(H)2	C(COsCH)(CCHH)(H)2	H(CCCH)	108.9201	0.656	93	108.9201	0.431	93	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(COsHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(COsHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	108.6467	0.172	4	108.6467	0.030	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.1878	0.162	13	109.1878	0.026	13	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.1025	0.045	2	109.1025	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.6670	0.721	12	108.6670	0.520	12	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CCCH)	109.4873	0.055	4	109.4873	0.003	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.0085	0.169	4	109.0085	0.029	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3870	0.018	2	109.3870	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CP[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CP[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4410	0.000	1	108.4410	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CPdCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	107.4510	0.186	6	107.4510	0.035	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CCHH)(H)2	C(CCHH)(CCHP)(H)2	H(CCCH)	C(CPdCH)(CCHH)(H)2	C(CCHH)(CCHP)(H)2	H(CCCH)	107.6000	0.000	1	107.6000	0.000	1	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	C(CPdCH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCCH)	107.8430	0.030	2	107.8430	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CPdCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8812	0.721	6	108.8812	0.519	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CCHH)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	C(CPdCH)(CCHH)(H)2	C(CPdCH)(CCHH)(H)2	H(CCCH)	108.8130	0.974	88	108.8130	0.949	88	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CPdCO)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0150	0.020	2	109.0150	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCC)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CPtCC)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.9442	0.257	4	108.9442	0.066	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	H(CCCH)	107.4585	0.023	2	107.4585	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	H(CCCH)	108.0780	0.008	2	108.0780	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	107.6377	0.140	4	107.6377	0.019	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCHP)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCHP)(H)2	H(CCCH)	107.0975	0.399	4	107.0975	0.159	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.6041	0.555	26	109.6041	0.308	26	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	H(CCCH)	109.6297	0.054	3	109.6297	0.003	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CC[6a]PtC)(CCHH)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CC[6a]PtC)(CCHH)(H)2	H(CCCH)	108.9720	0.044	2	108.9720	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CPtCC)(CCHH)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CPtCC)(CCHH)(H)2	H(CCCH)	108.8625	0.129	4	108.8625	0.017	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	C(CPtCH)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	H(CCCH)	108.5819	0.858	406	108.5819	0.736	406	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CPtHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6683	0.029	4	108.6683	0.001	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CPtHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.7520	0.059	4	108.7520	0.003	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtHH)(CCHH)(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	C(CPtHH)(CCHH)(H)2	C(CPtHH)(CCHH)(H)2	H(CCCH)	110.0517	0.466	4	110.0517	0.218	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtHP)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CPtHP)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.9745	0.018	2	108.9745	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRh2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CRh2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	107.2390	0.024	2	107.2390	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRhCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CRhCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0532	0.878	42	109.0532	0.770	42	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRhCH)(CCHH)(H)2	C(CRhCH)(CCHH)(H)2	H(CCCH)	C(CRhCH)(CCHH)(H)2	C(CRhCH)(CCHH)(H)2	H(CCCH)	108.8944	1.078	3279	108.8944	1.163	3279	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRhHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CRhHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1115	0.033	2	109.1115	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRu2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CRu2C)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.1710	0.018	2	109.1710	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRuCC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CRuCC)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4310	0.061	2	108.4310	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRuCC)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	C(CRuCC)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	109.5250	1.254	4	109.5250	1.571	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRuCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CRuCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.4658	1.843	33	108.4658	3.397	33	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRuCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	C(CRuCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	H(CCCH)	107.7363	0.798	6	107.7363	0.637	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRuCH)(CCHH)(H)2	C(CRuCC)(CCHH)(H)2	H(CCCH)	C(CRuCH)(CCHH)(H)2	C(CRuCC)(CCHH)(H)2	H(CCCH)	108.3208	1.945	4	108.3208	3.784	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRuCH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	C(CRuCH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	H(CCCH)	109.2322	2.183	422	109.2322	4.767	422	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CScNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CScNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3219	0.326	8	109.3219	0.106	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7404	0.325	8	108.7404	0.105	8	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCCH)	108.9327	0.119	4	108.9327	0.014	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.1778	0.381	10	109.1778	0.145	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSeHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CSeHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3628	2.496	14	109.3628	6.231	14	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSi2Sn)(CCHH)(H)2	C(CSi2Sn)(CCHH)(H)2	H(CCCH)	C(CSi2Sn)(CCHH)(H)2	C(CSi2Sn)(CCHH)(H)2	H(CCCH)	108.3856	0.456	10	108.3856	0.208	10	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CSiCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	107.9376	0.140	7	107.9376	0.020	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	H(CCCH)	108.0655	0.018	2	108.0655	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	H(CCCH)	109.0717	0.173	7	109.0717	0.030	7	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7220	0.215	22	108.7220	0.046	22	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.5339	0.697	52	108.5339	0.486	52	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	H(CCCH)	108.9876	0.148	5	108.9876	0.022	5	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CSiHN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.6852	0.175	4	108.6852	0.031	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHP)(CCHH)(H)2	C(CSiHP)(CCHH)(H)2	H(CCCH)	C(CSiHP)(CCHH)(H)2	C(CSiHP)(CCHH)(H)2	H(CCCH)	108.7990	0.049	2	108.7990	0.002	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSi[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CSi[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.3750	0.059	2	108.3750	0.004	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSi[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	C(CSi[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CCCH)	108.3055	0.006	2	108.3055	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSmNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CSmNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.4760	0.058	2	109.4760	0.003	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSnHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CSnHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8263	0.736	229	108.8263	0.541	229	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSnHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CSnHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.8795	0.214	15	108.8795	0.046	15	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSnNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CSnNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.0217	0.627	27	109.0217	0.393	27	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CTaCH)(CCHH)(H)2	C(CTaCH)(CCHH)(H)2	H(CCCH)	C(CTaCH)(CCHH)(H)2	C(CTaCH)(CCHH)(H)2	H(CCCH)	109.3307	0.022	3	109.3307	0.000	3	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CTeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	C(CTeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCCH)	109.6635	0.019	4	109.6635	0.000	4	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CTiNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CTiNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.2590	0.008	2	109.2590	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CZnHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CZnHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.8085	0.036	2	108.8085	0.001	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CZrHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CZrHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.7857	0.299	6	108.7857	0.089	6	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CZrNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CZrNN)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.3565	0.012	2	109.3565	0.000	2	108.7913	1.381	109697	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCCH)(CCHI)(H)2	C(CCHH)2(H)(I)	H(CCCH)	C(CCCH)(CCHI)(H)2	C(CCHH)2(H)(I)	H(CCCH)	108.4007	0.478	3	108.4007	0.228	3	108.6372	3.583	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCCH)(CCHI)(H)2	C(CC[6a]HH)(CCHH)(H)(I)	H(CCCH)	C(CCCH)(CCHI)(H)2	C(CC[6a]HH)(CCHH)(H)(I)	H(CCCH)	107.9440	0.021	2	107.9440	0.000	2	108.6372	3.583	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHH)(CCHI)(H)2	C(CCHH)2(H)(I)	H(CCCH)	C(CCHH)(CCHI)(H)2	C(CCHH)2(H)(I)	H(CCCH)	109.6180	3.123	9	109.6180	9.752	9	108.6372	3.583	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(CCHS)(H)2	C(CCHH)(CC3)(H)(I)	H(CCCH)	C(CCHI)(CCHS)(H)2	C(CCHH)(CC3)(H)(I)	H(CCCH)	108.4363	0.226	4	108.4363	0.051	4	108.6372	3.583	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHI)(CHHO)(H)2	C(CCHH)2(H)(I)	H(CCCH)	C(CCHI)(CHHO)(H)2	C(CCHH)2(H)(I)	H(CCCH)	107.7782	0.740	6	107.7782	0.548	6	108.6372	3.583	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CC[5]HH)(CCHI)(H)2	C(CCHH)2(H)(I)	H(CCCH)	C(CC[5]HH)(CCHI)(H)2	C(CCHH)2(H)(I)	H(CCCH)	108.4437	0.536	4	108.4437	0.288	4	108.6372	3.583	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:N-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(H)(N)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(H)(N)	H(CCCH)	113.1220	3.804	2	113.1220	14.472	2	113.1220	14.472	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:I-1:I-1:	C-4:	C(CCHH)(CCII)(H)2	C(CCHH)(CHHN)(I)2	H(CCCH)	C(CCHH)(CCII)(H)2	C(CCHH)(CHHN)(I)2	H(CCCH)	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Ge-4:H-1:H-1:	C-4:	C(CGeHH)(CHHN)(H)2	C(CCHH)(GeC3)(H)2	H(CCCH)	C(CGeHH)(CHHN)(H)2	C(CCHH)(GeC3)(H)2	H(CCCH)	108.2550	0.478	5	108.2550	0.229	5	108.2550	0.229	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CBrCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CBrCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	107.5325	1.006	4	107.5325	1.013	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CBrHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CBrHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.6222	0.498	5	109.6222	0.248	5	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCCF)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CCCF)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	110.2815	1.302	2	110.2815	1.695	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.4020	0.023	2	109.4020	0.001	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.2722	0.696	4	109.2722	0.485	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCFF)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CCFF)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	109.2653	7.368	4	109.2653	54.283	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.5371	0.900	7447	109.5371	0.810	7447	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.0100	0.730	84	109.0100	0.533	84	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCS)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCS)(H)2	H(CCCH)	109.7390	0.000	1	109.7390	0.000	1	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.7878	1.260	168	108.7878	1.586	168	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(ND3)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(ND3)(H)2	H(CCCH)	108.3525	0.023	2	108.3525	0.001	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.0159	1.148	941	109.0159	1.318	941	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	108.7915	0.664	4	108.7915	0.441	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	110.5735	1.766	2	110.5735	3.118	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	110.9180	2.407	2	110.9180	5.794	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.5190	0.000	1	108.5190	0.000	1	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.6445	0.013	2	108.6445	0.000	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]2H)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CC[6a]2H)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	108.6697	0.906	8	108.6697	0.821	8	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CC[6a]CO)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.4972	0.266	6	109.4972	0.071	6	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.9548	0.073	4	109.9548	0.005	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.7655	0.126	4	109.7655	0.016	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.4409	0.250	18	109.4409	0.063	18	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CC[6a]HO)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.7382	0.279	6	108.7382	0.078	6	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CClCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CClCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	108.1873	0.283	4	108.1873	0.080	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHI)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHI)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.4467	0.283	6	109.4467	0.080	6	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CC3)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CHHN)(CC3)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.0212	0.823	6	108.0212	0.678	6	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NBCC)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NBCC)(H)2	H(CCCH)	109.5340	0.652	6	109.5340	0.425	6	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NBHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NBHH)(H)2	H(CCCH)	109.1740	0.062	2	109.1740	0.004	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.3499	1.428	571	109.3499	2.040	571	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCCD)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCCD)(H)2	H(CCCH)	109.4280	0.054	5	109.4280	0.003	5	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.3957	0.408	52	109.3957	0.166	52	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	109.4710	0.368	48	109.4710	0.136	48	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.0885	1.061	53	109.0885	1.125	53	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.7473	0.022	4	109.7473	0.001	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.2209	0.323	8	109.2209	0.104	8	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.9255	0.457	2	108.9255	0.209	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(ND3)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(ND3)(H)2	H(CCCH)	108.5725	0.030	2	108.5725	0.001	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.0416	0.705	16	109.0416	0.498	16	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NBCC)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NBCC)(H)2	H(CCCH)	109.2960	0.004	2	109.2960	0.000	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	110.1831	0.085	7	110.1831	0.007	7	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	110.0660	0.004	2	110.0660	0.000	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	107.9585	1.603	2	107.9585	2.570	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CN3)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(CN3)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.4161	1.538	8	109.4161	2.367	8	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(COPP)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)(COPP)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	112.5290	5.152	4	112.5290	26.548	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	110.3223	1.882	25	110.3223	3.543	25	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.2250	0.803	164	109.2250	0.644	164	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.8528	0.828	273	108.8528	0.686	273	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.1987	1.341	294	109.1987	1.799	294	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(CCHH)(NHHO)(H)2	H(CCCH)	C(CHHN)2(H)2	C(CCHH)(NHHO)(H)2	H(CCCH)	109.0306	0.156	5	109.0306	0.024	5	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.5190	0.051	2	109.5190	0.003	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.2071	0.474	14	109.2071	0.225	14	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	110.0250	0.045	2	110.0250	0.002	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	109.2584	0.259	10	109.2584	0.067	10	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.3838	0.101	4	109.3838	0.010	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	109.1722	0.379	4	109.1722	0.144	4	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	H(CCCH)	109.0881	0.768	31	109.0881	0.590	31	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CO[4]HH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	C(CO[4]HH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	H(CCCH)	109.4355	0.073	2	109.4355	0.005	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	H(CCCH)	108.5565	0.004	2	108.5565	0.000	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CSnHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	C(CSnHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	H(CCCH)	109.9755	0.064	2	109.9755	0.004	2	109.4228	1.026	10365	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(OFe3)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(OFe3)(H)2	H(CCCH)	107.9187	1.116	6	107.9187	1.245	6	108.3974	0.590	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(CCHH)(ONi3)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(CCHH)(ONi3)(H)2	H(CCCH)	108.6923	0.040	4	108.6923	0.002	4	108.3974	0.590	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(H)2	C(CCHH)(OMg3)(H)2	H(CCCH)	C(CHHO)(CH3)(H)2	C(CCHH)(OMg3)(H)2	H(CCCH)	108.6091	0.496	8	108.6091	0.246	8	108.3974	0.590	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(PBCC)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(PBCC)(H)2	H(CCCH)	109.5799	0.678	8	109.5799	0.460	8	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	109.0771	0.437	197	109.0771	0.191	197	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCH)(H)2	H(CCCH)	108.4424	0.378	5	108.4424	0.143	5	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	108.8465	0.385	13	108.8465	0.149	13	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCW)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCW)(H)2	H(CCCH)	109.1113	0.082	6	109.1113	0.007	6	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	109.1705	0.232	72	109.1705	0.054	72	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CC[6a]2C)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	C(CC[6a]2C)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	108.9785	0.491	2	108.9785	0.242	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CC[6a]3)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	C(CC[6a]3)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	108.5465	0.028	2	108.5465	0.001	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CFHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	C(CFHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	109.7920	0.024	2	109.7920	0.001	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(CCHH)(PNOS)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(CCHH)(PNOS)(H)2	H(CCCH)	109.3530	0.084	4	109.3530	0.007	4	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHO)(CHHP)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	C(CHHO)(CHHP)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	109.4619	0.188	8	109.4619	0.035	8	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHO)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	C(CHHO)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	109.1725	0.030	2	109.1725	0.001	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(CCHH)(PBCC)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(CCHH)(PBCC)(H)2	H(CCCH)	109.1995	0.069	4	109.1995	0.005	4	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	109.0495	0.501	6	109.0495	0.251	6	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(CCHH)(PCCH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(CCHH)(PCCH)(H)2	H(CCCH)	108.7678	0.373	10	108.7678	0.139	10	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	108.5827	0.653	26	108.5827	0.427	26	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(CCHH)(PSe3)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(CCHH)(PSe3)(H)2	H(CCCH)	109.4340	0.027	2	109.4340	0.001	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	109.1510	0.085	2	109.1510	0.007	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CNPP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	C(CHHP)(CNPP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	110.0735	2.812	4	110.0735	7.909	4	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	C(CHHP)2(H)2	C(CCHH)(PC3)(H)2	H(CCCH)	108.9685	0.006	2	108.9685	0.000	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	C(CHHP)2(H)2	C(CCHH)(PCCO)(H)2	H(CCCH)	109.2285	0.067	2	109.2285	0.005	2	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(CCHH)(PCCW)(H)2	H(CCCH)	C(CHHP)2(H)2	C(CCHH)(PCCW)(H)2	H(CCCH)	108.7665	0.076	4	108.7665	0.006	4	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	C(CHHP)2(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	109.4330	0.143	6	109.4330	0.021	6	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CMnOO)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	C(CMnOO)(CHHP)(H)2	C(CCHH)(PO3)(H)2	H(CCCH)	108.4320	0.000	1	108.4320	0.000	1	109.0742	0.273	390	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	109.2059	1.736	9	109.2059	3.014	9	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SNOO)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SNOO)(H)2	H(CCCH)	109.1052	0.055	4	109.1052	0.003	4	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	108.9402	0.451	33	108.9402	0.204	33	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CClHH)(CHHS)(H)2	C(CCHH)(SFe3)(H)2	H(CCCH)	C(CClHH)(CHHS)(H)2	C(CCHH)(SFe3)(H)2	H(CCCH)	108.7293	0.556	4	108.7293	0.309	4	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	109.7961	0.461	16	109.7961	0.212	16	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	109.4755	0.021	2	109.4755	0.000	2	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SMn3)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SMn3)(H)2	H(CCCH)	109.2604	0.297	19	109.2604	0.088	19	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(CCHH)(SNOO)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(CCHH)(SNOO)(H)2	H(CCCH)	109.6220	0.011	2	109.6220	0.000	2	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SCOO)(H)2	H(CCCH)	108.3110	0.010	2	108.3110	0.000	2	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	C(CHHS)2(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	109.4715	0.210	2	109.4715	0.044	2	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	C(CN[3x6]HH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	110.1540	0.047	2	110.1540	0.002	2	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	C(CN[5]HH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	109.3577	0.740	25	109.3577	0.548	25	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	C(CN[6]HH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	H(CCCH)	109.8841	1.225	16	109.8841	1.501	16	109.3240	0.674	136	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:F-1:F-1:	C-4:	C(CSiFF)(CCHH)(H)2	C(CCHH)(SiC3)(F)2	H(CCCH)	C(CSiFF)(CCHH)(H)2	C(CCHH)(SiC3)(F)2	H(CCCH)	109.1390	0.028	2	109.1390	0.001	2	109.1390	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CC[6]HH)(CSiHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CC[6]HH)(CSiHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	109.0915	0.016	2	109.0915	0.000	2	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CN[5]HH)(CSiHH)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CN[5]HH)(CSiHH)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	109.4237	0.087	6	109.4237	0.007	6	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CSiHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CN[5a]HH)(CSiHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	108.9160	0.007	2	108.9160	0.000	2	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CSiHH)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CN[5a]HH)(CSiHH)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	109.2642	0.339	6	109.2642	0.115	6	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CN[6]HH)(CSiHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CN[6]HH)(CSiHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	109.3190	0.006	2	109.3190	0.000	2	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CC3)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CSiHH)(CC3)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	108.6090	0.033	2	108.6090	0.001	2	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CC3)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(CC3)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	108.0554	0.151	26	108.0554	0.023	26	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	108.9228	0.199	19	108.9228	0.039	19	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	108.7321	0.488	37	108.7321	0.238	37	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CF3)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(CF3)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	108.7724	0.209	12	108.7724	0.044	12	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CHHI)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(CHHI)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	109.1821	0.584	8	109.1821	0.341	8	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	108.8569	0.402	8	108.8569	0.162	8	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	109.7395	2.034	8	109.7395	4.139	8	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CHHO)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CSiHH)(CHHO)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	109.1712	0.279	6	109.1712	0.078	6	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	108.7048	0.109	8	108.7048	0.012	8	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiO3)(H)2	H(CCCH)	109.0917	0.154	11	109.0917	0.024	11	108.8235	0.453	163	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,3,6]HH)(CH3)(H)2	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	H(CCCH)	C(CC[3,3,6]HH)(CH3)(H)2	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	H(CCCH)	108.3915	0.009	2	108.3915	0.000	2	108.3915	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5,6]HH)(CCHH)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	H(CCCH)	C(CC[3,5,6]HH)(CCHH)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	H(CCCH)	113.3010	2.741	2	113.3010	7.512	2	113.3010	7.512	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	H(CCCH)	C(CC[3,5]HH)(CCCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	H(CCCH)	108.6947	0.063	4	108.6947	0.004	4	108.3257	0.556	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	H(CCCH)	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	H(CCCH)	109.3930	0.006	2	109.3930	0.000	2	108.3257	0.556	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5,6]C[3])(CCHH)(H)2	H(CCCH)	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5,6]C[3])(CCHH)(H)2	H(CCCH)	108.0267	0.224	3	108.0267	0.050	3	108.3257	0.556	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CC[6]CH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	H(CCCH)	C(CC[3,5]HH)(CC[6]CH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	H(CCCH)	107.6472	0.736	4	107.6472	0.541	4	108.3257	0.556	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	H(CCCH)	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	H(CCCH)	108.3173	0.077	6	108.3173	0.006	6	108.4556	0.070	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	H(CCCH)	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	H(CCCH)	108.8705	0.011	2	108.8705	0.000	2	108.4556	0.070	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:Cl-1:H-1:	C-4:	C(CC[3]ClH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	H(CCCH)	C(CC[3]ClH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	H(CCCH)	109.1962	0.202	6	109.1962	0.041	6	109.1962	0.041	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]CH)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3,5]CH)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	108.5695	0.087	4	108.5695	0.008	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CBrCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CBrCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	107.6080	0.082	4	107.6080	0.007	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	108.2384	0.082	8	108.2384	0.007	8	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	108.2675	0.094	2	108.2675	0.009	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	107.7860	0.000	1	107.7860	0.000	1	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	107.2998	0.041	4	107.2998	0.002	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	108.4001	0.156	7	108.4001	0.024	7	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	H(CCCH)	108.8485	0.019	2	108.8485	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	H(CCCH)	108.7280	0.007	2	108.7280	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	H(CCCH)	109.5074	0.714	10	109.5074	0.510	10	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	H(CCCH)	108.1520	0.057	4	108.1520	0.003	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	H(CCCH)	108.8330	0.007	2	108.8330	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	H(CCCH)	108.6774	0.632	68	108.6774	0.399	68	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	H(CCCH)	108.5955	0.567	8	108.5955	0.321	8	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	108.8451	0.426	8	108.8451	0.181	8	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C[6])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C[6])(CCHH)(H)2	H(CCCH)	108.1815	1.045	4	108.1815	1.092	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	108.7683	0.213	11	108.7683	0.045	11	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2N[6])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2N[6])(CCHH)(H)2	H(CCCH)	107.8720	0.108	4	107.8720	0.012	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2O)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2O)(CCHH)(H)2	H(CCCH)	107.8665	0.104	4	107.8665	0.011	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	H(CCCH)	108.6950	1.623	6	108.6950	2.633	6	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]C)(CCHH)(H)2	H(CCCH)	109.1405	0.686	4	109.1405	0.471	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(CCCH)	108.5948	0.086	4	108.5948	0.007	4	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	108.9429	0.353	15	108.9429	0.125	15	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	108.8275	0.603	21	108.8275	0.363	21	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(H)2	C(C[3]N[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHH)(H)2	C(C[3]N[3]2H)(CCHH)(H)2	H(CCCH)	108.9363	0.113	3	108.9363	0.013	3	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	108.9970	0.004	2	108.9970	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	109.1000	0.013	2	109.1000	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	107.3823	0.033	3	107.3823	0.001	3	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[4]CN)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[4]CN)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	107.8720	0.000	1	107.8720	0.000	1	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[5]CH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	108.4525	0.081	2	108.4525	0.007	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[5]CH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	108.3640	0.008	2	108.3640	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[5]CH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	108.1065	0.011	2	108.1065	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[5]CO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[5]CO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	109.4915	2.758	8	109.4915	7.604	8	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CC[6]CC)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CC[6]CC)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	107.5708	0.502	8	107.5708	0.252	8	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	H(CCCH)	108.6160	0.233	2	108.6160	0.054	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	108.9721	0.170	19	108.9721	0.029	19	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CHHN)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CHHN)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	H(CCCH)	109.2930	0.004	2	109.2930	0.000	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CHHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CHHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(CCCH)	108.8320	0.252	3	108.8320	0.064	3	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CPtCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	C(CC[3]HH)(CPtCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	H(CCCH)	109.4355	0.483	2	109.4355	0.233	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)2(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	H(CCCH)	C(CC[3]HH)2(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	H(CCCH)	108.9221	0.107	8	108.9221	0.011	8	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[3]HH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[3]HH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	H(CCCH)	108.6570	0.109	2	108.6570	0.012	2	108.6601	0.641	278	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x5,6,6]HH)(CCHH)(H)2	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	H(CCCH)	C(CC[3x5,6,6]HH)(CCHH)(H)2	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	H(CCCH)	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x5,6]HH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	H(CCCH)	C(CC[3x5,6]HH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	H(CCCH)	108.6760	0.020	2	108.6760	0.000	2	108.6760	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	H(CCCH)	109.1847	0.079	6	109.1847	0.006	6	109.1463	0.258	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	108.9215	0.023	2	108.9215	0.001	2	109.1463	0.258	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	H(CCCH)	108.6696	0.203	8	108.6696	0.041	8	109.1463	0.258	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CClHH)(H)2	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(CClHH)(H)2	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	H(CCCH)	109.4090	0.000	1	109.4090	0.000	1	109.1463	0.258	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	H(CCCH)	108.7555	0.486	2	108.7555	0.236	2	109.1463	0.258	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	109.5752	0.625	10	109.5752	0.391	10	109.1463	0.258	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CHHO)(H)2	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[3x6]HH)(CHHO)(H)2	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	H(CCCH)	109.2122	0.103	4	109.2122	0.011	4	109.1463	0.258	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,3x5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,3x5,6]HH)(CH3)(H)2	C(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C[4,5])(CCHH)(H)2	H(CCCH)	C(CC[4,3x5,6]HH)(CH3)(H)2	C(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C[4,5])(CCHH)(H)2	H(CCCH)	109.0490	0.017	2	109.0490	0.000	2	109.0490	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	H(CCCH)	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	H(CCCH)	108.3455	0.059	2	108.3455	0.003	2	108.3665	0.205	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	H(CCCH)	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	H(CCCH)	108.7180	0.045	4	108.7180	0.002	4	108.3665	0.205	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	H(CCCH)	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	H(CCCH)	107.6845	0.012	2	107.6845	0.000	2	108.3665	0.205	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(CCHH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	H(CCCH)	C(CC[4,5]HH)(CCHH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	H(CCCH)	108.5430	0.035	2	108.5430	0.001	2	108.6785	0.058	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(CH3)(H)2	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	H(CCCH)	C(CC[4,5]HH)(CH3)(H)2	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	H(CCCH)	108.7124	0.261	8	108.7124	0.068	8	108.6785	0.058	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	H(CCCH)	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	H(CCCH)	108.0610	0.054	2	108.0610	0.003	2	108.3910	0.146	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	H(CCCH)	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	H(CCCH)	108.2405	0.029	2	108.2405	0.001	2	108.3910	0.146	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4,6]HH)(CCHO)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	H(CCCH)	C(CC[4,6]HH)(CCHO)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	H(CCCH)	108.8715	0.012	2	108.8715	0.000	2	108.3910	0.146	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCFF)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCFF)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	H(CCCH)	108.1090	0.097	4	108.1090	0.009	4	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	H(CCCH)	108.8568	0.177	8	108.8568	0.031	8	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	H(CCCH)	109.4960	0.054	2	109.4960	0.003	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	108.4384	1.020	10	108.4384	1.041	10	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	H(CCCH)	107.3106	1.399	8	107.3106	1.956	8	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	H(CCCH)	107.4085	0.043	2	107.4085	0.002	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	H(CCCH)	107.8780	0.000	1	107.8780	0.000	1	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	H(CCCH)	109.4466	1.640	8	109.4466	2.690	8	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	H(CCCH)	108.3815	0.439	4	108.3815	0.193	4	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2C)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2C)(CCHH)(H)2	H(CCCH)	108.6605	0.035	2	108.6605	0.001	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	108.2839	1.084	38	108.2839	1.175	38	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(H)2	H(CCCH)	108.5549	0.504	15	108.5549	0.254	15	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2Si)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2Si)(CCHH)(H)2	H(CCCH)	108.6400	0.000	1	108.6400	0.000	1	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	108.5206	0.347	24	108.5206	0.121	24	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]O[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]O[4]H)(CCHH)(H)2	H(CCCH)	109.5268	0.157	4	109.5268	0.025	4	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	H(CCCH)	108.1238	0.111	5	108.1238	0.012	5	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	H(CCCH)	108.3118	0.125	8	108.3118	0.016	8	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CCHO)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CCHO)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	H(CCCH)	108.9045	0.067	2	108.9045	0.005	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CC[5]CH)(H)2	C(C[4]C[4]O[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CC[5]CH)(H)2	C(C[4]C[4]O[4]H)(CCHH)(H)2	H(CCCH)	108.4150	0.000	1	108.4150	0.000	1	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CC[5]CO)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CC[5]CO)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	107.6260	0.008	2	107.6260	0.000	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	H(CCCH)	108.7953	0.040	3	108.7953	0.002	3	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	H(CCCH)	109.2010	0.082	2	109.2010	0.007	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	H(CCCH)	109.2223	0.049	3	109.2223	0.002	3	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2Ni)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2Ni)(CCHH)(H)2	H(CCCH)	109.1188	0.203	6	109.1188	0.041	6	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	H(CCCH)	109.2753	0.043	3	109.2753	0.002	3	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]S[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]S[4]H)(CCHH)(H)2	H(CCCH)	108.6200	0.034	2	108.6200	0.001	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	109.1195	0.061	4	109.1195	0.004	4	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	H(CCCH)	108.6266	0.338	15	108.6266	0.114	15	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CHHO)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CHHO)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	108.9195	0.032	2	108.9195	0.001	2	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)2(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)2(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	H(CCCH)	108.5365	1.910	36	108.5365	3.648	36	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HO)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	H(CCCH)	108.6764	0.738	10	108.6764	0.545	10	108.5414	1.155	235	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4x5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[4x5,6]HH)(CHHN)(H)2	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	H(CCCH)	C(CC[4x5,6]HH)(CHHN)(H)2	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	H(CCCH)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,3x6]HH)(CHHN)(H)2	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	H(CCCH)	C(CC[5,3x6]HH)(CHHN)(H)2	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	H(CCCH)	108.0245	0.221	8	108.0245	0.049	8	107.9666	0.040	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,3x6]HH)(CN[5]HH)(H)2	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	H(CCCH)	C(CC[5,3x6]HH)(CN[5]HH)(H)2	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	H(CCCH)	107.9370	0.000	1	107.9370	0.000	1	107.9666	0.040	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,3x6]HH)(CN[6]HH)(H)2	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	H(CCCH)	C(CC[5,3x6]HH)(CN[6]HH)(H)2	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	H(CCCH)	107.8220	0.047	3	107.8220	0.002	3	107.9666	0.040	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5,3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,3x6]HH)(CHHN)(H)2	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	H(CCCH)	C(CC[5,5,3x6]HH)(CHHN)(H)2	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	H(CCCH)	109.4200	0.034	2	109.4200	0.001	2	109.4200	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6,6]HH)(CHHN)(H)2	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	H(CCCH)	C(CC[5,5,6,6]HH)(CHHN)(H)2	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	H(CCCH)	109.3875	0.907	2	109.3875	0.823	2	109.3875	0.823	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	H(CCCH)	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	H(CCCH)	108.8320	0.018	2	108.8320	0.000	2	109.0347	0.041	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	H(CCCH)	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	H(CCCH)	109.2440	0.050	3	109.2440	0.002	3	109.0347	0.041	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(CH3)(H)2	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	H(CCCH)	C(CC[5,5,6]HH)(CH3)(H)2	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	H(CCCH)	108.9235	0.022	2	108.9235	0.000	2	109.0347	0.041	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CC3)(H)2	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CC3)(H)2	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	H(CCCH)	107.7195	0.049	2	107.7195	0.002	2	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCCH)(H)2	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCCH)(H)2	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	H(CCCH)	108.2965	0.006	2	108.2965	0.000	2	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	H(CCCH)	109.0190	0.000	1	109.0190	0.000	1	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	H(CCCH)	108.8530	0.000	1	108.8530	0.000	1	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	H(CCCH)	108.1515	0.013	2	108.1515	0.000	2	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	108.0340	0.097	3	108.0340	0.009	3	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	H(CCCH)	109.1070	0.027	2	109.1070	0.001	2	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CC[6]CH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CC[6]CH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	108.5165	0.054	2	108.5165	0.003	2	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CC[6a]HH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CC[6a]HH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	H(CCCH)	108.4800	0.000	1	108.4800	0.000	1	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	108.9986	0.122	12	108.9986	0.015	12	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	H(CCCH)	109.2590	0.239	26	109.2590	0.057	26	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	H(CCCH)	109.2750	0.209	4	109.2750	0.044	4	108.9630	0.228	58	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CCHH)(H)2	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6,6]HH)(CCHH)(H)2	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	H(CCCH)	108.0435	0.012	2	108.0435	0.000	2	109.9469	2.966	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	108.8595	0.018	2	108.8595	0.000	2	109.9469	2.966	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	H(CCCH)	110.4543	1.472	4	110.4543	2.167	4	109.9469	2.966	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CHHN)(H)2	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	H(CCCH)	C(CC[5,6,6]HH)(CHHN)(H)2	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	H(CCCH)	111.9230	1.319	2	111.9230	1.741	2	109.9469	2.966	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	H(CCCH)	108.1470	0.000	1	108.1470	0.000	1	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	109.1605	0.006	2	109.1605	0.000	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	H(CCCH)	109.9855	0.739	2	109.9855	0.546	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	H(CCCH)	110.5105	0.353	4	110.5105	0.124	4	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]2O)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]2O)(CCHH)(H)2	H(CCCH)	108.6285	0.012	2	108.6285	0.000	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	108.8093	1.819	6	108.8093	3.309	6	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	111.1115	0.371	2	111.1115	0.138	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	H(CCCH)	109.2980	0.021	2	109.2980	0.000	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	108.9520	0.048	4	108.9520	0.002	4	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	H(CCCH)	108.0190	0.000	1	108.0190	0.000	1	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	H(CCCH)	109.3740	0.045	2	109.3740	0.002	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	H(CCCH)	109.2963	0.218	8	109.2963	0.047	8	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	109.3045	0.123	4	109.3045	0.015	4	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	H(CCCH)	108.1617	1.935	4	108.1617	3.742	4	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	110.8361	6.045	14	110.8361	36.539	14	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	109.6510	0.140	4	109.6510	0.020	4	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	H(CCCH)	108.9280	0.260	8	108.9280	0.068	8	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	H(CCCH)	108.6110	0.078	2	108.6110	0.006	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	H(CCCH)	109.1465	0.018	2	109.1465	0.000	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CN[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	H(CCCH)	C(CC[5,6]HH)(CN[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	H(CCCH)	108.6180	0.008	2	108.6180	0.000	2	109.4830	7.509	76	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	H(CCCH)	C(CC[5]BrH)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	H(CCCH)	108.4390	0.048	2	108.4390	0.002	2	108.5767	0.127	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	H(CCCH)	108.1830	0.021	2	108.1830	0.000	2	108.5767	0.127	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(CCCH)	108.5325	0.009	2	108.5325	0.000	2	108.5767	0.127	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(CCCH)	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	H(CCCH)	108.5987	0.519	6	108.5987	0.269	6	108.5767	0.127	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Br)(H)	H(CCCH)	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Br)(H)	H(CCCH)	108.3950	0.000	1	108.3950	0.000	1	108.5767	0.127	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(CCCH)	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	H(CCCH)	108.8168	0.179	5	108.8168	0.032	5	108.5767	0.127	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(CCCH)	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(CCCH)	108.2190	0.000	1	108.2190	0.000	1	108.6491	0.023	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	H(CCCH)	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	H(CCCH)	108.5990	0.016	2	108.5990	0.000	2	108.6491	0.023	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]ClH)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	H(CCCH)	C(CC[5]ClH)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	H(CCCH)	108.7133	0.063	6	108.7133	0.004	6	108.6491	0.023	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]ClH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(CCCH)	C(CC[5]ClH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	H(CCCH)	108.6852	0.111	4	108.6852	0.012	4	108.6491	0.023	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:F-1:F-1:	C-4:	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(F)2	H(CCCH)	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(F)2	H(CCCH)	108.1597	0.016	3	108.1597	0.000	3	108.1597	0.000	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.0675	0.029	2	108.0675	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	107.9350	0.021	2	107.9350	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5,5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	107.8520	0.119	2	107.8520	0.014	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	107.5798	1.037	4	107.5798	1.074	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.2920	0.077	7	108.2920	0.006	7	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.8295	0.679	4	108.8295	0.461	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	107.7447	0.357	9	107.7447	0.128	9	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CBHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CBHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CCCH)	108.0423	1.176	3	108.0423	1.383	3	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC3)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC3)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	H(CCCH)	108.0420	0.024	2	108.0420	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	107.9230	0.016	2	107.9230	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	108.6040	0.010	2	108.6040	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.5174	0.455	8	108.5174	0.207	8	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	109.0150	0.000	1	109.0150	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]N)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]N)(CCHH)(H)2	H(CCCH)	108.5580	0.000	1	108.5580	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	107.7020	0.049	2	107.7020	0.002	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.0190	0.006	2	108.0190	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCFF)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCFF)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	109.3212	0.048	4	109.3212	0.002	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	108.1855	0.019	2	108.1855	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CCCH)	109.1580	0.035	2	109.1580	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	H(CCCH)	107.5780	0.030	2	107.5780	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	H(CCCH)	107.9974	0.718	13	107.9974	0.516	13	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	108.6789	1.726	11	108.6789	2.979	11	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(CCCH)	108.7735	0.228	8	108.7735	0.052	8	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	H(CCCH)	109.0927	0.461	14	109.0927	0.213	14	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	H(CCCH)	108.9698	0.285	29	108.9698	0.081	29	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	H(CCCH)	108.6239	0.167	7	108.6239	0.028	7	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	108.9035	0.436	12	108.9035	0.190	12	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	108.8960	0.000	1	108.8960	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	H(CCCH)	108.2340	0.111	4	108.2340	0.012	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	H(CCCH)	108.8215	0.470	13	108.8215	0.221	13	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	109.0622	1.268	155	109.0622	1.607	155	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	H(CCCH)	108.5048	0.287	4	108.5048	0.082	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	H(CCCH)	108.8285	0.009	2	108.8285	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	108.1390	0.040	2	108.1390	0.002	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	108.4254	0.480	11	108.4254	0.230	11	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	H(CCCH)	108.3995	0.021	2	108.3995	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	H(CCCH)	109.7528	2.572	4	109.7528	6.614	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	108.7079	0.733	29	108.7079	0.538	29	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.7382	1.002	44	108.7382	1.004	44	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.3953	0.915	47	108.3953	0.837	47	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	108.7640	0.110	6	108.7640	0.012	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	H(CCCH)	108.5143	0.551	9	108.5143	0.304	9	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(H)2	H(CCCH)	108.7217	1.710	6	108.7217	2.926	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	108.7413	0.486	16	108.7413	0.236	16	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CCCH)	108.7200	0.000	1	108.7200	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2W)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2W)(CCHH)(H)2	H(CCCH)	108.7225	0.026	2	108.7225	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CCCH)	108.9532	0.200	4	108.9532	0.040	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CCCH)	108.5144	0.494	29	108.5144	0.245	29	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.7101	1.058	27	108.7101	1.120	27	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	108.5572	1.187	19	108.5572	1.409	19	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	108.3231	1.114	14	108.3231	1.240	14	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CCCH)	109.4244	1.574	10	109.4244	2.479	10	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(CCCH)	107.9759	0.479	20	107.9759	0.229	20	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5]H)(CCHH)(H)2	H(CCCH)	108.8748	0.772	5	108.8748	0.596	5	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(CCCH)	108.8358	0.389	17	108.8358	0.151	17	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]2)(CCHH)(H)2	H(CCCH)	109.1390	0.078	2	109.1390	0.006	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	H(CCCH)	108.1197	0.865	3	108.1197	0.749	3	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	H(CCCH)	108.5315	0.398	14	108.5315	0.158	14	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	108.5588	0.359	5	108.5588	0.129	5	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	109.1510	0.078	4	109.1510	0.006	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	H(CCCH)	109.0130	0.014	2	109.0130	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2C)(CCHH)(H)2	H(CCCH)	108.9622	0.055	4	108.9622	0.003	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	H(CCCH)	109.2230	0.055	5	109.2230	0.003	5	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]H)(CCHH)(H)2	H(CCCH)	108.8550	0.000	1	108.8550	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	H(CCCH)	109.1175	0.018	2	109.1175	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	H(CCCH)	109.1180	0.006	2	109.1180	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(H)2	C(C[5]S[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHH)(H)2	C(C[5]S[5]2C)(CCHH)(H)2	H(CCCH)	109.2558	0.141	6	109.2558	0.020	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHI)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHI)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.4143	0.580	4	108.4143	0.336	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHN)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHN)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	H(CCCH)	108.8345	0.404	2	108.8345	0.163	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	109.4280	0.074	2	109.4280	0.005	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	H(CCCH)	108.2412	0.109	4	108.2412	0.012	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.8430	0.000	1	108.8430	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.4903	0.209	6	108.4903	0.044	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	109.0808	1.303	6	109.0808	1.697	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.2860	0.013	2	108.2860	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.3225	0.082	4	108.3225	0.007	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.8746	0.341	19	108.8746	0.116	19	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	108.8755	0.215	4	108.8755	0.046	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]CH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]CH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.7918	0.190	6	108.7918	0.036	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]CH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]CH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CCCH)	107.6955	0.016	2	107.6955	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	H(CCCH)	108.6165	0.019	2	108.6165	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.5140	2.575	2	108.5140	6.632	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HO)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HO)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	H(CCCH)	106.9190	0.018	2	106.9190	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCl3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CCl3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.9700	0.034	2	108.9700	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CClCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CClCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	H(CCCH)	108.8435	0.035	2	108.8435	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	H(CCCH)	109.2550	0.023	2	109.2550	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(CCCH)	108.8580	0.061	2	108.8580	0.004	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	H(CCCH)	109.1693	0.633	11	109.1693	0.401	11	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	109.6618	1.638	28	109.6618	2.684	28	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	H(CCCH)	109.3305	0.046	2	109.3305	0.002	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	H(CCCH)	109.5575	0.150	4	109.5575	0.022	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	H(CCCH)	108.7600	0.006	2	108.7600	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	H(CCCH)	109.4305	0.068	4	109.4305	0.005	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	109.2501	0.216	22	109.2501	0.047	22	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	109.0420	0.239	22	109.0420	0.057	22	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	109.0288	0.073	4	109.0288	0.005	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Lu)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Lu)(CCHH)(H)2	H(CCCH)	109.3308	0.273	8	109.3308	0.075	8	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	109.1620	0.354	22	109.1620	0.126	22	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	H(CCCH)	109.1865	0.009	2	109.1865	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Sm)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Sm)(CCHH)(H)2	H(CCCH)	108.5712	0.965	4	108.5712	0.930	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	H(CCCH)	108.8405	0.537	11	108.8405	0.289	11	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	109.0245	0.253	6	109.0245	0.064	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	H(CCCH)	109.1125	0.169	20	109.1125	0.028	20	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	H(CCCH)	108.9305	0.124	4	108.9305	0.015	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	H(CCCH)	109.1155	0.039	2	109.1155	0.002	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	H(CCCH)	108.9952	0.029	4	108.9952	0.001	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2H)(CCHH)(H)2	H(CCCH)	109.2050	0.000	1	109.2050	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	H(CCCH)	109.4135	0.035	2	109.4135	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CH3)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	H(CCCH)	109.2092	0.034	4	109.2092	0.001	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	107.7114	3.483	7	107.7114	12.130	7	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	H(CCCH)	108.7145	1.817	2	108.7145	3.300	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	108.8240	0.020	2	108.8240	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	108.4762	0.338	6	108.4762	0.114	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	108.5207	0.701	8	108.5207	0.491	8	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	108.5198	0.947	9	108.5198	0.896	9	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CCCH)	108.9560	0.024	2	108.9560	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Zn)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Zn)(CCHH)(H)2	H(CCCH)	108.9505	0.194	4	108.9505	0.038	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	H(CCCH)	108.1905	0.005	2	108.1905	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	H(CCCH)	109.4965	0.028	2	109.4965	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	108.4320	0.042	2	108.4320	0.002	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	108.2500	0.437	2	108.2500	0.191	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	H(CCCH)	109.4860	0.000	1	109.4860	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	109.1840	0.020	2	109.1840	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	108.0635	0.332	2	108.0635	0.110	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	108.8088	0.291	6	108.8088	0.085	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	H(CCCH)	109.1825	0.047	2	109.1825	0.002	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[6a]O[5]2)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[6a]O[5]2)(CCHH)(H)2	H(CCCH)	108.6335	0.009	2	108.6335	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	H(CCCH)	109.1385	0.015	2	109.1385	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHO)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	H(CCCH)	108.8523	0.054	3	108.8523	0.003	3	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHS)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHS)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	H(CCCH)	108.9385	0.022	2	108.9385	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	H(CCCH)	108.9220	0.040	2	108.9220	0.002	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	H(CCCH)	108.4883	0.021	3	108.4883	0.000	3	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	H(CCCH)	108.1963	0.291	8	108.1963	0.085	8	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	H(CCCH)	111.1315	4.205	2	111.1315	17.683	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CNiCH)(H)2	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CNiCH)(H)2	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	H(CCCH)	109.4638	0.065	4	109.4638	0.004	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CTiHH)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CTiHH)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	H(CCCH)	109.8350	0.038	2	109.8350	0.001	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)2(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	H(CCCH)	108.4705	0.005	2	108.4705	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)2(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	H(CCCH)	108.5905	0.022	2	108.5905	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)2(H)2	C(C[5]C[5]2H)(CCHH)(H)2	H(CCCH)	108.5130	0.000	1	108.5130	0.000	1	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	H(CCCH)	109.1810	0.031	4	109.1810	0.001	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	H(CCCH)	108.4652	0.023	4	108.4652	0.001	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	H(CCCH)	C(CC[5a]CH)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	H(CCCH)	109.1870	0.011	2	109.1870	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	109.3020	0.071	2	109.3020	0.005	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	H(CCCH)	108.4755	0.012	2	108.4755	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	H(CCCH)	108.6600	0.011	2	108.6600	0.000	2	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	H(CCCH)	109.2343	0.065	4	109.2343	0.004	4	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	H(CCCH)	108.6671	0.107	12	108.6671	0.011	12	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	H(CCCH)	109.8938	1.464	6	109.8938	2.143	6	108.8026	0.893	1109	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)(I)	H(CCCH)	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)(I)	H(CCCH)	107.8735	0.040	2	107.8735	0.002	2	108.3397	0.653	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	H(CCCH)	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	H(CCCH)	109.2720	0.000	1	109.2720	0.000	1	108.3397	0.653	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:O-1:	C-4:	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	H(CCCH)	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	H(CCCH)	108.3855	0.080	2	108.3855	0.006	2	108.3855	0.006	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:Cl-1:H-1:	C-4:	C(CC[6,6]ClH)(CF3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	H(CCCH)	C(CC[6,6]ClH)(CF3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	H(CCCH)	108.8580	0.058	2	108.8580	0.003	2	108.8580	0.003	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	H(CCCH)	107.8060	0.066	2	107.8060	0.004	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2H)(CCHH)(H)2	H(CCCH)	108.5510	0.008	4	108.5510	0.000	4	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	H(CCCH)	109.0743	0.039	4	109.0743	0.001	4	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	H(CCCH)	109.8648	1.465	6	109.8648	2.148	6	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	H(CCCH)	108.5280	0.018	2	108.5280	0.000	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2H)(CCHH)(H)2	H(CCCH)	107.9740	0.049	2	107.9740	0.002	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	H(CCCH)	108.1515	0.930	2	108.1515	0.865	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	H(CCCH)	107.8380	0.020	2	107.8380	0.000	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	H(CCCH)	108.3450	0.004	2	108.3450	0.000	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CCCH)	109.4115	0.016	2	109.4115	0.000	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	H(CCCH)	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	H(CCCH)	108.6165	0.013	2	108.6165	0.000	2	108.7677	0.908	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:	C(CC[6]BrH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	H(CCCH)	C(CC[6]BrH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	H(CCCH)	108.3545	0.037	2	108.3545	0.001	2	108.5142	0.048	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:	C(CC[6]BrH)(CClHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	H(CCCH)	C(CC[6]BrH)(CClHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	H(CCCH)	108.3915	0.006	2	108.3915	0.000	2	108.5142	0.048	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:	C(CC[6]BrH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	H(CCCH)	C(CC[6]BrH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	H(CCCH)	108.7965	0.009	2	108.7965	0.000	2	108.5142	0.048	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:F-1:F-1:	C-4:	C(CC[6]FF)(CHHN)(H)2	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	H(CCCH)	C(CC[6]FF)(CHHN)(H)2	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	H(CCCH)	108.7125	0.005	2	108.7125	0.000	2	108.7125	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HO)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[4]HO)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.0400	0.000	1	108.0400	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CC)(CC[6]HH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]CC)(CC[6]HH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	108.4870	0.197	3	108.4870	0.039	3	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	107.6280	0.000	1	107.6280	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	108.4460	0.035	2	108.4460	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[5]CH)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.7010	0.000	1	108.7010	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.6140	0.021	2	108.6140	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.7120	0.028	2	108.7120	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CBrCH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CBrCH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	109.1190	4.764	2	109.1190	22.700	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.2710	0.000	1	108.2710	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	H(CCCH)	108.6080	1.393	2	108.6080	1.940	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.3330	2.932	2	108.3330	8.595	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.5962	0.218	14	108.5962	0.047	14	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.2470	0.075	4	108.2470	0.006	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.3204	0.547	8	108.3204	0.299	8	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	107.6570	0.031	2	107.6570	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	H(CCCH)	108.9030	0.040	2	108.9030	0.002	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4]O[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4]O[6]2)(CCHH)(H)2	H(CCCH)	107.9020	0.350	6	107.9020	0.123	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	H(CCCH)	109.4915	0.006	2	109.4915	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.9590	0.000	1	108.9590	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.5063	0.353	7	108.5063	0.125	7	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.8343	1.181	61	108.8343	1.394	61	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	H(CCCH)	108.2940	0.027	2	108.2940	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	H(CCCH)	108.9050	0.018	2	108.9050	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	H(CCCH)	109.0630	0.020	2	109.0630	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	H(CCCH)	108.7713	0.131	4	108.7713	0.017	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.3962	0.520	9	108.3962	0.270	9	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	H(CCCH)	108.1625	0.030	2	108.1625	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.7905	1.663	10	108.7905	2.766	10	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	H(CCCH)	108.3017	0.457	4	108.3017	0.209	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(H)2	H(CCCH)	108.8504	0.136	5	108.8504	0.018	5	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2N)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2N)(CCHH)(H)2	H(CCCH)	109.2065	0.036	2	109.2065	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	H(CCCH)	107.4557	0.076	3	107.4557	0.006	3	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	H(CCCH)	109.2507	0.155	4	109.2507	0.024	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CCCH)	108.7581	0.270	8	108.7581	0.073	8	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	109.4082	1.062	8	109.4082	1.128	8	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	H(CCCH)	108.8030	0.000	1	108.8030	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	H(CCCH)	109.2345	0.085	4	109.2345	0.007	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	H(CCCH)	109.1635	0.015	2	109.1635	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	H(CCCH)	108.2837	0.020	3	108.2837	0.000	3	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Br)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Br)(CCHH)(H)2	H(CCCH)	109.1270	0.014	2	109.1270	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	108.8541	0.337	72	108.8541	0.114	72	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Cl)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Cl)(CCHH)(H)2	H(CCCH)	109.1515	0.035	2	109.1515	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.6086	1.026	72	108.6086	1.053	72	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	H(CCCH)	111.1860	0.875	4	111.1860	0.766	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	108.9066	0.357	7	108.9066	0.128	7	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	109.1625	0.032	2	109.1625	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	108.1889	1.516	54	108.1889	2.297	54	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	108.6502	0.219	4	108.6502	0.048	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.8618	1.268	28	108.8618	1.607	28	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6]H)(CCHH)(H)2	H(CCCH)	107.4740	0.406	4	107.4740	0.165	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	H(CCCH)	108.9220	0.000	1	108.9220	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.6835	0.098	4	108.6835	0.010	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.6170	0.560	4	108.6170	0.314	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.4729	1.202	8	108.4729	1.446	8	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	107.9405	0.015	2	107.9405	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	H(CCCH)	108.7081	0.290	53	108.7081	0.084	53	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2H)(CCHH)(H)2	H(CCCH)	108.4980	0.014	2	108.4980	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	H(CCCH)	109.9180	2.145	4	109.9180	4.600	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	108.9228	0.086	14	108.9228	0.007	14	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	H(CCCH)	109.2043	0.255	35	109.2043	0.065	35	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2H)(CCHH)(H)2	H(CCCH)	108.9496	0.541	13	108.9496	0.293	13	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	H(CCCH)	108.0190	0.851	4	108.0190	0.724	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	108.3618	0.154	4	108.3618	0.024	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.4970	0.062	2	108.4970	0.004	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	109.0590	0.025	2	109.0590	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	H(CCCH)	108.4947	0.366	12	108.4947	0.134	12	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.6370	0.045	2	108.6370	0.002	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.2200	3.004	4	109.2200	9.021	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.5490	0.038	4	108.5490	0.001	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	H(CCCH)	108.3765	0.884	13	108.3765	0.781	13	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]O)(CCHH)(H)2	H(CCCH)	112.8480	9.563	2	112.8480	91.449	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CC[6]HS)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CC[6]HS)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	108.4225	0.019	2	108.4225	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	108.4970	0.011	2	108.4970	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.8825	0.012	2	108.8825	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.8920	0.247	4	108.8920	0.061	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	H(CCCH)	109.8680	0.013	2	109.8680	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]2H)(CCHH)(H)2	H(CCCH)	108.8520	0.047	3	108.8520	0.002	3	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.5705	0.368	8	108.5705	0.136	8	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	H(CCCH)	108.9642	0.105	6	108.9642	0.011	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	H(CCCH)	109.0110	0.035	2	109.0110	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	H(CCCH)	109.1731	0.146	7	109.1731	0.021	7	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	108.9780	0.193	5	108.9780	0.037	5	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.1516	0.216	39	109.1516	0.046	39	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.8843	1.667	52	108.8843	2.780	52	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2Ir)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2Ir)(CCHH)(H)2	H(CCCH)	108.9630	0.013	2	108.9630	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	109.9050	0.766	6	109.9050	0.587	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	H(CCCH)	109.4110	0.014	2	109.4110	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	109.0016	0.301	24	109.0016	0.091	24	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	109.7835	1.317	6	109.7835	1.734	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	H(CCCH)	109.0485	0.015	2	109.0485	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.6950	0.033	2	108.6950	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	H(CCCH)	108.9165	0.032	2	108.9165	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	110.2998	4.089	5	110.2998	16.723	5	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(H)2	C(C[6]Si[6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CH3)(H)2	C(C[6]Si[6]C[6]H)(CCHH)(H)2	H(CCCH)	109.4290	0.049	4	109.4290	0.002	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	H(CCCH)	109.7900	0.014	2	109.7900	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6,6a]2O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6,6a]2O)(CCHH)(H)2	H(CCCH)	109.3847	0.253	4	109.3847	0.064	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.2895	0.330	6	109.2895	0.109	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	108.4988	0.324	6	108.4988	0.105	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2S)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2S)(CCHH)(H)2	H(CCCH)	110.0699	0.625	8	110.0699	0.391	8	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.1470	1.343	4	108.1470	1.804	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.3317	1.538	4	109.3317	2.366	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	H(CCCH)	110.9490	0.017	2	110.9490	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	107.7135	1.834	8	107.7135	3.363	8	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	109.1505	0.006	2	109.1505	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHS)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHS)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	108.8450	3.247	4	108.8450	10.543	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHOO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHOO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	109.2617	0.127	6	109.2617	0.016	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN[5]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN[5]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	108.2650	0.042	2	108.2650	0.002	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.7583	2.081	12	108.7583	4.330	12	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.3925	0.006	2	109.3925	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CP[4]HH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CP[4]HH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	H(CCCH)	108.9847	0.130	6	108.9847	0.017	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	H(CCCH)	109.3475	0.018	2	109.3475	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	H(CCCH)	109.3995	0.064	2	109.3995	0.004	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.0170	0.895	4	109.0170	0.800	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	H(CCCH)	108.6895	0.013	2	108.6895	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.1148	0.411	42	109.1148	0.169	42	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	H(CCCH)	108.9742	0.521	6	108.9742	0.271	6	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]C[6]P[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]C[6]P[6]H)(CCHH)(H)2	H(CCCH)	108.3090	0.024	2	108.3090	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)2(H)2	C(C[6]S[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)2(H)2	C(C[6]S[6]2C)(CCHH)(H)2	H(CCCH)	109.5273	0.035	3	109.5273	0.001	3	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]N[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]N[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.8080	0.070	7	108.8080	0.005	7	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]CH)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	H(CCCH)	108.9010	0.000	1	108.9010	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	H(CCCH)	108.7160	0.035	2	108.7160	0.001	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	H(CCCH)	108.4890	0.017	2	108.4890	0.000	2	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	H(CCCH)	109.3160	0.000	1	109.3160	0.000	1	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.0383	0.298	4	109.0383	0.089	4	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CC[6]HH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HN)(CC[6]HH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	H(CCCH)	109.2300	0.050	3	109.2300	0.003	3	108.8357	1.173	991	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:I-1:	C-4:	C(CC[6]HI)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	H(CCCH)	C(CC[6]HI)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	H(CCCH)	109.0525	0.049	2	109.0525	0.002	2	109.0525	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(CCHH)(H)2	C(GePtCH)(CCHH)(H)2	H(CCCH)	C(CGeHH)(CCHH)(H)2	C(GePtCH)(CCHH)(H)2	H(CCCH)	108.5666	0.184	7	108.5666	0.034	7	108.6218	0.054	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(CF3)(H)2	C(GeC[6a]3)(CCHH)(H)2	H(CCCH)	C(CGeHH)(CF3)(H)2	C(GeC[6a]3)(CCHH)(H)2	H(CCCH)	109.0080	0.000	1	109.0080	0.000	1	108.6218	0.054	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CCCO)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	107.9540	0.000	1	107.9540	0.000	1	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NAl2C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NAl2C)(CCHH)(H)2	H(CCCH)	109.5360	0.006	2	109.5360	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6]CC)(CCHH)(H)2	H(CCCH)	109.4922	0.241	6	109.4922	0.058	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6]HgC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6]HgC)(CCHH)(H)2	H(CCCH)	108.9777	0.113	3	108.9777	0.013	3	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6]ZnC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6]ZnC)(CCHH)(H)2	H(CCCH)	109.4140	0.203	4	109.4140	0.041	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NC[6a]CC)(CCHH)(H)2	H(CCCH)	110.0200	0.004	2	110.0200	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	109.9485	0.237	4	109.9485	0.056	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	H(CCCH)	108.5914	0.482	17	108.5914	0.232	17	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NCrCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NCrCC)(CCHH)(H)2	H(CCCH)	110.8768	2.163	8	110.8768	4.681	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	109.9156	1.070	14	109.9156	1.146	14	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	110.2153	1.637	12	110.2153	2.680	12	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	109.3775	0.023	2	109.3775	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	108.8560	0.110	2	108.8560	0.012	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	109.1338	0.282	18	109.1338	0.079	18	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	109.4260	0.203	9	109.4260	0.041	9	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	109.1850	0.062	4	109.1850	0.004	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	109.3057	0.457	104	109.3057	0.208	104	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	109.0239	0.398	8	109.0239	0.158	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NPtCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NPtCH)(CCHH)(H)2	H(CCCH)	109.3305	0.060	2	109.3305	0.004	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	109.7612	0.197	6	109.7612	0.039	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	H(CCCH)	108.2365	1.617	2	108.2365	2.615	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NRhHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NRhHH)(CCHH)(H)2	H(CCCH)	109.1255	0.076	2	109.1255	0.006	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NRuCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NRuCC)(CCHH)(H)2	H(CCCH)	109.1985	0.163	4	109.1985	0.027	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NTcCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NTcCC)(CCHH)(H)2	H(CCCH)	109.4135	0.036	2	109.4135	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NTcCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NTcCH)(CCHH)(H)2	H(CCCH)	107.5213	0.859	4	107.5213	0.738	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	109.4103	0.173	17	109.4103	0.030	17	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(H)2	C(NZnCH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHN)(H)2	C(NZnCH)(CCHH)(H)2	H(CCCH)	108.6725	0.037	2	108.6725	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]CH)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]CH)(CCHH)(H)2	H(CCCH)	108.6775	0.006	2	108.6775	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]CuH)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]CuH)(CCHH)(H)2	H(CCCH)	108.4350	0.000	1	108.4350	0.000	1	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	108.4922	0.311	6	108.4922	0.097	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]NiH)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]NiH)(CCHH)(H)2	H(CCCH)	108.4337	0.353	3	108.4337	0.125	3	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]ZnC)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]ZnC)(CCHH)(H)2	H(CCCH)	107.3840	1.889	2	107.3840	3.570	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	108.1670	0.000	1	108.1670	0.000	1	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	108.8050	0.038	2	108.8050	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	108.7708	0.612	6	108.7708	0.374	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	108.5707	0.138	3	108.5707	0.019	3	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	108.1380	0.004	2	108.1380	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	108.0727	0.059	4	108.0727	0.004	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	H(CCCH)	109.1478	3.426	4	109.1478	11.738	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(NRhHH)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(NRhHH)(CCHH)(H)2	H(CCCH)	107.3535	0.470	2	107.3535	0.221	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	108.7220	0.028	2	108.7220	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHN)(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHN)(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	108.7267	0.158	4	108.7267	0.025	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NCrCC)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NCrCC)(CCHH)(H)2	H(CCCH)	109.6520	0.038	2	109.6520	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	109.6670	0.000	1	109.6670	0.000	1	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CHHN)(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	109.4690	0.007	2	109.4690	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	108.8615	0.029	2	108.8615	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6]HgC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6]HgC)(CCHH)(H)2	H(CCCH)	109.1785	0.037	2	109.1785	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NC[6]ZnC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NC[6]ZnC)(CCHH)(H)2	H(CCCH)	109.8985	0.029	2	109.8985	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NCrCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NCrCH)(CCHH)(H)2	H(CCCH)	109.3885	0.105	2	109.3885	0.011	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	109.6500	0.000	1	109.6500	0.000	1	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	109.6126	0.156	5	109.6126	0.024	5	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	109.2565	0.023	2	109.2565	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NLi2C)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NLi2C)(CCHH)(H)2	H(CCCH)	108.7005	0.011	2	108.7005	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NMn2P)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NMn2P)(CCHH)(H)2	H(CCCH)	109.3830	0.034	2	109.3830	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	109.4248	0.045	4	109.4248	0.002	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NOsHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NOsHH)(CCHH)(H)2	H(CCCH)	109.4675	0.008	2	109.4675	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	109.1676	0.441	12	109.1676	0.195	12	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	109.4228	0.271	4	109.4228	0.074	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	109.3270	4.161	6	109.3270	17.317	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)2	C(NZnCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CH3)(H)2	C(NZnCH)(CCHH)(H)2	H(CCCH)	109.2075	0.016	2	109.2075	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NAlCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NAlCH)(CCHH)(H)2	H(CCCH)	108.5335	0.022	2	108.5335	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NC[6a]HH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NC[6a]HH)(CCHH)(H)2	H(CCCH)	108.4075	0.078	4	108.4075	0.006	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	109.1532	0.098	4	109.1532	0.010	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NCuHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NCuHH)(CCHH)(H)2	H(CCCH)	108.8795	0.008	2	108.8795	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	108.1609	0.580	8	108.1609	0.337	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	109.0163	0.512	6	109.0163	0.262	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	109.1423	0.389	7	109.1423	0.152	7	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(H)2	C(NZnHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHO)(H)2	C(NZnHH)(CCHH)(H)2	H(CCCH)	109.0932	0.929	8	109.0932	0.864	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(NCoCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(NCoCH)(CCHH)(H)2	H(CCCH)	108.6420	0.105	4	108.6420	0.011	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(NCoHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(NCoHH)(CCHH)(H)2	H(CCCH)	108.8496	0.336	13	108.8496	0.113	13	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(NMoHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(NMoHH)(CCHH)(H)2	H(CCCH)	108.4490	0.051	2	108.4490	0.003	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	108.7635	0.207	4	108.7635	0.043	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	109.2900	0.093	4	109.2900	0.009	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NC[6a]HgC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NC[6a]HgC)(CCHH)(H)2	H(CCCH)	108.1382	4.107	4	108.1382	16.870	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	109.4175	0.428	4	109.4175	0.183	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	107.9880	0.208	4	107.9880	0.043	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	107.5743	0.607	7	107.5743	0.368	7	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	108.1795	0.201	6	108.1795	0.040	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NIrCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NIrCC)(CCHH)(H)2	H(CCCH)	108.8565	0.113	4	108.8565	0.013	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NIrCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NIrCH)(CCHH)(H)2	H(CCCH)	108.6493	0.112	6	108.6493	0.013	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	108.1303	2.098	8	108.1303	4.403	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	108.6775	0.154	8	108.6775	0.024	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	108.7240	0.030	2	108.7240	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	108.6635	0.050	2	108.6635	0.003	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NRhCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NRhCH)(CCHH)(H)2	H(CCCH)	108.3888	0.331	4	108.3888	0.110	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NRhHH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NRhHH)(CCHH)(H)2	H(CCCH)	108.6412	0.192	13	108.6412	0.037	13	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	108.5607	0.249	4	108.5607	0.062	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NAl2C)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NAl2C)(CCHH)(H)2	H(CCCH)	109.6750	0.034	3	109.6750	0.001	3	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NAlCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NAlCC)(CCHH)(H)2	H(CCCH)	108.9601	0.506	7	108.9601	0.256	7	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6,6]ZnH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6,6]ZnH)(CCHH)(H)2	H(CCCH)	107.6598	1.210	4	107.6598	1.464	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6]CoH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6]CoH)(CCHH)(H)2	H(CCCH)	108.0665	0.100	2	108.0665	0.010	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	H(CCCH)	108.7502	0.529	27	108.7502	0.279	27	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6]NiH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6]NiH)(CCHH)(H)2	H(CCCH)	108.9085	0.006	2	108.9085	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6]PtH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6]PtH)(CCHH)(H)2	H(CCCH)	108.5992	0.100	4	108.5992	0.010	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]CH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]CH)(CCHH)(H)2	H(CCCH)	108.8100	0.134	3	108.8100	0.018	3	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]CuC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]CuC)(CCHH)(H)2	H(CCCH)	108.6195	0.012	4	108.6195	0.000	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]FeC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]FeC)(CCHH)(H)2	H(CCCH)	108.3976	0.086	8	108.3976	0.007	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NC[6a]MnC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NC[6a]MnC)(CCHH)(H)2	H(CCCH)	108.3778	1.502	4	108.3778	2.257	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	H(CCCH)	108.0914	0.404	13	108.0914	0.163	13	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCdCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCdCH)(CCHH)(H)2	H(CCCH)	108.2530	0.096	6	108.2530	0.009	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCdHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCdHH)(CCHH)(H)2	H(CCCH)	108.0332	0.035	4	108.0332	0.001	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	H(CCCH)	108.2507	0.923	152	108.2507	0.851	152	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	H(CCCH)	108.7826	1.031	259	108.7826	1.063	259	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	H(CCCH)	108.7302	0.559	106	108.7302	0.312	106	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCrCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCrCC)(CCHH)(H)2	H(CCCH)	108.1030	0.764	36	108.1030	0.584	36	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	H(CCCH)	108.4231	0.196	72	108.4231	0.039	72	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCrHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCrHH)(CCHH)(H)2	H(CCCH)	108.2675	1.111	36	108.2675	1.234	36	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	108.3010	0.772	318	108.3010	0.595	318	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	108.3436	1.812	202	108.3436	3.284	202	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	H(CCCH)	108.5049	0.761	73	108.5049	0.580	73	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	H(CCCH)	108.3289	0.419	197	108.3289	0.175	197	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	108.5410	0.662	187	108.5410	0.438	187	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NFeHH)(CCHH)(H)2	H(CCCH)	108.7850	0.057	6	108.7850	0.003	6	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NHgHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NHgHH)(CCHH)(H)2	H(CCCH)	107.8420	0.042	4	107.8420	0.002	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NLi2C)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NLi2C)(CCHH)(H)2	H(CCCH)	108.2282	0.026	5	108.2282	0.001	5	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NLiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NLiCC)(CCHH)(H)2	H(CCCH)	108.4870	0.066	2	108.4870	0.004	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NLiCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NLiCH)(CCHH)(H)2	H(CCCH)	108.3980	0.017	2	108.3980	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMgCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMgCC)(CCHH)(H)2	H(CCCH)	108.3514	0.255	7	108.3514	0.065	7	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMgCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMgCH)(CCHH)(H)2	H(CCCH)	108.1983	0.117	8	108.1983	0.014	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMnCC)(CCHH)(H)2	H(CCCH)	108.1225	1.232	63	108.1225	1.517	63	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	H(CCCH)	108.5097	1.069	258	108.5097	1.143	258	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMnHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMnHH)(CCHH)(H)2	H(CCCH)	110.2503	6.068	12	110.2503	36.822	12	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMoCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMoCH)(CCHH)(H)2	H(CCCH)	108.2910	0.050	4	108.2910	0.002	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NMoHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NMoHH)(CCHH)(H)2	H(CCCH)	108.2717	0.063	3	108.2717	0.004	3	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	108.4843	0.722	542	108.4843	0.522	542	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	H(CCCH)	108.5277	0.885	368	108.5277	0.783	368	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	H(CCCH)	108.6212	0.796	120	108.6212	0.633	120	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NOsCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NOsCH)(CCHH)(H)2	H(CCCH)	107.9450	0.014	3	107.9450	0.000	3	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NPdCC)(CCHH)(H)2	H(CCCH)	108.9565	7.428	16	108.9565	55.171	16	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	107.6691	2.004	12	107.6691	4.015	12	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NPdHH)(CCHH)(H)2	H(CCCH)	108.8410	0.224	7	108.8410	0.050	7	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NPtCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NPtCC)(CCHH)(H)2	H(CCCH)	108.6862	0.513	44	108.6862	0.264	44	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NPtCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NPtCH)(CCHH)(H)2	H(CCCH)	108.7170	0.453	4	108.7170	0.205	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NPtHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NPtHH)(CCHH)(H)2	H(CCCH)	108.7368	0.252	20	108.7368	0.063	20	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	108.9063	0.263	7	108.9063	0.069	7	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NReCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NReCH)(CCHH)(H)2	H(CCCH)	108.6342	2.158	16	108.6342	4.657	16	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NReHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NReHH)(CCHH)(H)2	H(CCCH)	108.5438	0.233	8	108.5438	0.054	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NRhCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NRhCH)(CCHH)(H)2	H(CCCH)	108.8084	2.237	8	108.8084	5.005	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NRuCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NRuCC)(CCHH)(H)2	H(CCCH)	108.8300	1.620	36	108.8300	2.623	36	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	108.1895	0.009	2	108.1895	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	108.4947	0.141	7	108.4947	0.020	7	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	H(CCCH)	108.2358	1.008	97	108.2358	1.017	97	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	H(CCCH)	108.2835	1.224	75	108.2835	1.497	75	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NZnHH)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NZnHH)(CCHH)(H)2	H(CCCH)	108.3730	0.228	10	108.3730	0.052	10	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)2	C(NZnHO)(CCHH)(H)2	H(CCCH)	C(CHHN)2(H)2	C(NZnHO)(CCHH)(H)2	H(CCCH)	108.1715	0.031	4	108.1715	0.001	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CHHN)(H)2	C(NLiHH)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CHHN)(H)2	C(NLiHH)(CCHH)(H)2	H(CCCH)	108.3128	0.301	4	108.3128	0.091	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(NC[6]CuC)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(NC[6]CuC)(CCHH)(H)2	H(CCCH)	110.4255	0.026	2	110.4255	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	109.4395	0.056	2	109.4395	0.003	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(NIrCC)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(NIrCC)(CCHH)(H)2	H(CCCH)	108.1495	0.016	2	108.1495	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	109.1560	0.000	2	109.1560	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(NC[6]CuC)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(NC[6]CuC)(CCHH)(H)2	H(CCCH)	110.2505	0.090	2	110.2505	0.008	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	108.0015	0.053	2	108.0015	0.003	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	H(CCCH)	108.9565	0.013	2	108.9565	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	108.1395	0.032	2	108.1395	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NCuCH)(CCHH)(H)2	H(CCCH)	108.5585	0.639	4	108.5585	0.408	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NCuHH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NCuHH)(CCHH)(H)2	H(CCCH)	109.2317	1.953	9	109.2317	3.813	9	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	H(CCCH)	108.3061	0.158	8	108.3061	0.025	8	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NIrCC)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NIrCC)(CCHH)(H)2	H(CCCH)	108.3800	0.061	4	108.3800	0.004	4	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NIrCH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NIrCH)(CCHH)(H)2	H(CCCH)	107.7285	0.012	2	107.7285	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(NRuCH)(CCHH)(H)2	H(CCCH)	109.8585	0.025	2	109.8585	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CNiOO)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	C(CNiOO)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	H(CCCH)	107.7655	0.021	2	107.7655	0.000	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(COsHH)(CHHN)(H)2	C(NOsHH)(CCHH)(H)2	H(CCCH)	C(COsHH)(CHHN)(H)2	C(NOsHH)(CCHH)(H)2	H(CCCH)	109.6985	3.402	2	109.6985	11.573	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CRhHS)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	H(CCCH)	C(CRhHS)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	H(CCCH)	108.1050	0.038	2	108.1050	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CSeHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	C(CSeHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	H(CCCH)	108.3320	0.024	2	108.3320	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	H(CCCH)	109.1095	0.996	2	109.1095	0.993	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(NRuHH)(CCHH)(H)2	H(CCCH)	108.6725	0.026	2	108.6725	0.001	2	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CSnHH)(CHHN)(H)2	C(NSnCC)(CCHH)(H)2	H(CCCH)	C(CSnHH)(CHHN)(H)2	C(NSnCC)(CCHH)(H)2	H(CCCH)	109.0934	0.199	5	109.0934	0.039	5	108.5516	1.268	4079	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(CCHH)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	C(CN[3x6]HH)(CCHH)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	109.7448	0.392	33	109.7448	0.154	33	109.7488	0.147	37	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(CH3)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	C(CN[3x6]HH)(CH3)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	109.4730	0.027	2	109.4730	0.001	2	109.7488	0.147	37	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:	C(CN[3x6]HH)(CHHS)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	C(CN[3x6]HH)(CHHS)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	H(CCCH)	110.0900	0.027	2	110.0900	0.001	2	109.7488	0.147	37	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	H(CCCH)	109.0080	0.000	1	109.0080	0.000	1	108.5100	3.340	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CHHN)(H)2	C(N[4]C[4]2Li)(CCHH)(H)2	H(CCCH)	C(CN[4]HH)(CHHN)(H)2	C(N[4]C[4]2Li)(CCHH)(H)2	H(CCCH)	108.3855	2.086	4	108.3855	4.350	4	108.5100	3.340	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(CC3)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5,5]HH)(CC3)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	108.6950	0.007	2	108.6950	0.000	2	108.9380	0.284	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(CCHH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5,5]HH)(CCHH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	108.9607	0.690	4	108.9607	0.476	4	108.9380	0.284	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(CHHO)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	C(CN[5,5]HH)(CHHO)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	H(CCCH)	109.3330	0.000	1	109.3330	0.000	1	108.9380	0.284	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	109.1420	0.006	2	109.1420	0.000	2	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CBHH)(H)2	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CBHH)(H)2	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	H(CCCH)	109.7180	0.000	1	109.7180	0.000	1	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	H(CCCH)	107.5885	0.109	4	107.5885	0.012	4	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	H(CCCH)	108.0140	0.037	2	108.0140	0.001	2	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.2311	2.014	53	109.2311	4.058	53	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	H(CCCH)	109.4320	0.000	1	109.4320	0.000	1	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Mg)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Mg)(CCHH)(H)2	H(CCCH)	108.9798	0.665	6	108.9798	0.443	6	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Zn)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Zn)(CCHH)(H)2	H(CCCH)	108.8350	0.423	4	108.8350	0.179	4	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.8195	0.248	11	109.8195	0.061	11	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CH3)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	H(CCCH)	109.7477	0.146	6	109.7477	0.021	6	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.1680	0.050	3	109.1680	0.002	3	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(H)2	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)2(H)2	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	H(CCCH)	107.6263	0.048	3	107.6263	0.002	3	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)2(H)2	C(N[5]C[5]2C)(CCHH)(H)2	H(CCCH)	109.9948	0.011	4	109.9948	0.000	4	109.1915	2.474	100	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:	C(CN[6,6]HH)(CCHH)(H)2	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CCCH)	C(CN[6,6]HH)(CCHH)(H)2	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	H(CCCH)	109.4470	0.006	2	109.4470	0.000	2	109.4470	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CN[6]HH)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.3243	0.034	4	108.3243	0.001	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.2362	0.168	4	109.2362	0.028	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	106.7430	4.365	4	106.7430	19.054	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2C)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]2C)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.0170	0.000	1	109.0170	0.000	1	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]2O)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.1600	0.468	4	109.1600	0.219	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CN[6]HH)(H)2	C(N[6]C[6]2Mg)(CCHH)(H)2	H(CCCH)	C(CC[6a]2O)(CN[6]HH)(H)2	C(N[6]C[6]2Mg)(CCHH)(H)2	H(CCCH)	108.5068	0.046	6	108.5068	0.002	6	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[6]O)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]C[6]O)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.3265	0.006	2	109.3265	0.000	2	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.5865	0.057	2	109.5865	0.003	2	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	H(CCCH)	109.4760	0.045	4	109.4760	0.002	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.4960	0.178	6	109.4960	0.032	6	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.3590	0.556	6	108.3590	0.309	6	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.3054	1.104	9	109.3054	1.218	9	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Cr)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Cr)(CCHH)(H)2	H(CCCH)	109.4984	1.328	11	109.4984	1.764	11	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.5659	0.537	73	109.5659	0.288	73	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Mg)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Mg)(CCHH)(H)2	H(CCCH)	109.2025	0.056	2	109.2025	0.003	2	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	110.1790	0.008	2	110.1790	0.000	2	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	H(CCCH)	108.7630	0.120	2	108.7630	0.014	2	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	109.0222	1.445	6	109.0222	2.089	6	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.5082	0.220	6	109.5082	0.048	6	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Co)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Co)(CCHH)(H)2	H(CCCH)	108.4615	0.044	4	108.4615	0.002	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	H(CCCH)	109.1615	1.648	26	109.1615	2.714	26	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Fe)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Fe)(CCHH)(H)2	H(CCCH)	108.3055	0.175	8	108.3055	0.031	8	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.3392	0.849	31	109.3392	0.721	31	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Ir)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Ir)(CCHH)(H)2	H(CCCH)	108.1127	0.277	6	108.1127	0.077	6	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	109.4805	0.052	2	109.4805	0.003	2	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	H(CCCH)	110.7720	1.151	2	110.7720	1.325	2	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.4753	2.850	4	108.4753	8.121	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(COPP)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)(COPP)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	108.3330	0.000	1	108.3330	0.000	1	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]C[6]2H)(CCHH)(H)2	H(CCCH)	110.0525	0.148	4	110.0525	0.022	4	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)2(H)2	C(N[6]C[6]2O)(CCHH)(H)2	H(CCCH)	C(CN[6]HH)2(H)2	C(N[6]C[6]2O)(CCHH)(H)2	H(CCCH)	107.4307	0.121	6	107.4307	0.015	6	109.1734	1.335	248	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(H)2	C(OLiZn2)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHO)(H)2	C(OLiZn2)(CCHH)(H)2	H(CCCH)	108.9185	0.067	2	108.9185	0.005	2	108.9185	0.005	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CCCH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.0045	0.043	2	109.0045	0.002	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHP)(H)2	C(PC[6a]SS)(CCHH)(H)2	H(CCCH)	C(CCCH)(CHHP)(H)2	C(PC[6a]SS)(CCHH)(H)2	H(CCCH)	108.7590	0.000	1	108.7590	0.000	1	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PAgCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PAgCC)(CCHH)(H)2	H(CCCH)	108.5465	0.184	6	108.5465	0.034	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PAuCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PAuCC)(CCHH)(H)2	H(CCCH)	108.7874	0.407	12	108.7874	0.166	12	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[3x6]2Ag)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[3x6]2Ag)(CCHH)(H)2	H(CCCH)	109.4005	0.127	4	109.4005	0.016	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[4]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[4]CC)(CCHH)(H)2	H(CCCH)	109.2488	0.095	4	109.2488	0.009	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[5]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[5]CC)(CCHH)(H)2	H(CCCH)	109.3862	0.091	6	109.3862	0.008	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6]2O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6]2O)(CCHH)(H)2	H(CCCH)	109.0478	0.371	9	109.0478	0.137	9	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6]2Ru)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6]2Ru)(CCHH)(H)2	H(CCCH)	108.4718	0.235	6	108.4718	0.055	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6]3)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6]3)(CCHH)(H)2	H(CCCH)	108.9330	0.175	6	108.9330	0.031	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6]CC)(CCHH)(H)2	H(CCCH)	109.4955	0.066	2	109.4955	0.004	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ag)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ag)(CCHH)(H)2	H(CCCH)	108.6018	0.213	4	108.6018	0.045	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Au)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Au)(CCHH)(H)2	H(CCCH)	108.7503	0.134	3	108.7503	0.018	3	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	H(CCCH)	109.2815	0.005	2	109.2815	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cr)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cr)(CCHH)(H)2	H(CCCH)	108.5085	0.941	2	108.5085	0.886	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	108.7843	0.433	47	108.7843	0.187	47	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	109.4320	0.000	1	109.4320	0.000	1	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2H)(CCHH)(H)2	H(CCCH)	109.2550	0.331	2	109.2550	0.110	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	108.1925	0.264	4	108.1925	0.070	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	109.5055	0.238	4	109.5055	0.057	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ni)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ni)(CCHH)(H)2	H(CCCH)	108.3475	0.209	15	108.3475	0.044	15	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	H(CCCH)	109.1816	0.292	11	109.1816	0.085	11	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2P)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2P)(CCHH)(H)2	H(CCCH)	109.5955	0.004	4	109.5955	0.000	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	108.9264	0.423	36	108.9264	0.179	36	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	H(CCCH)	108.7606	0.718	24	108.7606	0.515	24	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Re)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Re)(CCHH)(H)2	H(CCCH)	109.0923	0.516	6	109.0923	0.267	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	H(CCCH)	109.0752	0.793	8	109.0752	0.628	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	108.4107	0.396	99	108.4107	0.157	99	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2S)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2S)(CCHH)(H)2	H(CCCH)	109.6100	0.079	4	109.6100	0.006	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Se)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Se)(CCHH)(H)2	H(CCCH)	109.3430	0.000	1	109.3430	0.000	1	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Sm)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Sm)(CCHH)(H)2	H(CCCH)	109.0445	0.045	2	109.0445	0.002	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Te)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]2Te)(CCHH)(H)2	H(CCCH)	109.2020	0.388	4	109.2020	0.151	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.2696	0.169	11	109.2696	0.029	11	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]BC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]BC)(CCHH)(H)2	H(CCCH)	109.5106	1.094	8	109.5106	1.198	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]CC)(CCHH)(H)2	H(CCCH)	108.8030	0.340	10	108.8030	0.116	10	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]CO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]CO)(CCHH)(H)2	H(CCCH)	109.1008	0.149	4	109.1008	0.022	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]C[6]B)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]C[6]B)(CCHH)(H)2	H(CCCH)	108.9105	0.042	2	108.9105	0.002	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]IrC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]IrC)(CCHH)(H)2	H(CCCH)	109.3324	0.016	5	109.3324	0.000	5	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]NP)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]NP)(CCHH)(H)2	H(CCCH)	109.2998	0.267	6	109.2998	0.071	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]NiC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]NiC)(CCHH)(H)2	H(CCCH)	108.5243	0.666	22	108.5243	0.443	22	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]PtC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]PtC)(CCHH)(H)2	H(CCCH)	108.8637	0.591	44	108.8637	0.349	44	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]RhC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]RhC)(CCHH)(H)2	H(CCCH)	108.9878	0.026	4	108.9878	0.001	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PC[6a]RuO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PC[6a]RuO)(CCHH)(H)2	H(CCCH)	108.4800	0.011	2	108.4800	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	108.9673	0.221	6	108.9673	0.049	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PFe2H)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PFe2H)(CCHH)(H)2	H(CCCH)	109.3085	0.023	2	109.3085	0.001	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	108.8060	0.259	20	108.8060	0.067	20	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	H(CCCH)	109.0113	0.258	21	109.0113	0.067	21	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PIrCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PIrCO)(CCHH)(H)2	H(CCCH)	108.2267	0.105	4	108.2267	0.011	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PMoCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PMoCC)(CCHH)(H)2	H(CCCH)	108.6765	0.560	11	108.6765	0.314	11	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PN[6]CC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PN[6]CC)(CCHH)(H)2	H(CCCH)	109.1412	0.184	11	109.1412	0.034	11	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	109.1801	0.813	77	109.1801	0.661	77	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(POsCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(POsCC)(CCHH)(H)2	H(CCCH)	109.1300	0.311	26	109.1300	0.097	26	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	108.9121	0.299	46	108.9121	0.090	46	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	108.9625	0.519	163	108.9625	0.269	163	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	H(CCCH)	108.9622	0.227	18	108.9622	0.051	18	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PRhCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PRhCO)(CCHH)(H)2	H(CCCH)	108.3410	0.205	4	108.3410	0.042	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PRu2P)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PRu2P)(CCHH)(H)2	H(CCCH)	109.0125	0.027	4	109.0125	0.001	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	H(CCCH)	108.9731	0.143	34	108.9731	0.020	34	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHP)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CCHP)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	107.9939	0.698	10	107.9939	0.487	10	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHP)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	C(CCHP)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	108.2577	0.101	10	108.2577	0.010	10	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	108.5865	0.050	2	108.5865	0.003	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CClHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.1135	0.050	2	109.1135	0.003	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCoCH)(CHHP)(H)2	C(PC[6a]2Co)(CCHH)(H)2	H(CCCH)	C(CCoCH)(CHHP)(H)2	C(PC[6a]2Co)(CCHH)(H)2	H(CCCH)	109.5120	0.013	2	109.5120	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CFeHH)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	C(CFeHH)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	109.7680	0.059	2	109.7680	0.004	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Co)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]2Co)(CCHH)(H)2	H(CCCH)	108.8028	0.309	8	108.8028	0.096	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	108.6869	0.166	14	108.6869	0.027	14	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mn)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mn)(CCHH)(H)2	H(CCCH)	108.7825	0.244	19	108.7825	0.059	19	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	108.6464	0.206	14	108.6464	0.042	14	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	108.6540	0.049	2	108.6540	0.002	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.3430	0.010	2	109.3430	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PC[6a]MoC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PC[6a]MoC)(CCHH)(H)2	H(CCCH)	109.0143	0.417	3	109.0143	0.174	3	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	108.8390	0.316	16	108.8390	0.100	16	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	109.0767	0.083	6	109.0767	0.007	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	108.6333	0.242	3	108.6333	0.059	3	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHO)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	C(CHHO)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	109.3653	1.149	29	109.3653	1.321	29	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHO)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	H(CCCH)	C(CHHO)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	H(CCCH)	108.8910	0.688	7	108.8910	0.474	7	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	109.1423	0.185	4	109.1423	0.034	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.0138	0.488	5	109.0138	0.238	5	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PC[6a]C[6]2)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PC[6a]C[6]2)(CCHH)(H)2	H(CCCH)	109.5480	0.054	2	109.5480	0.003	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PC[6a]OS)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PC[6a]OS)(CCHH)(H)2	H(CCCH)	107.6480	0.720	2	107.6480	0.518	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PCdCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PCdCC)(CCHH)(H)2	H(CCCH)	107.0402	2.477	6	107.0402	6.138	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PCuCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PCuCC)(CCHH)(H)2	H(CCCH)	109.1892	0.057	5	109.1892	0.003	5	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	104.8263	1.118	6	104.8263	1.249	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PFeCN)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PFeCN)(CCHH)(H)2	H(CCCH)	109.4660	0.007	2	109.4660	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PMoCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PMoCC)(CCHH)(H)2	H(CCCH)	109.3289	0.202	12	109.3289	0.041	12	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	109.0867	0.327	47	109.0867	0.107	47	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	109.2407	0.254	34	109.2407	0.065	34	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(H)2	C(PReCC)(CCHH)(H)2	H(CCCH)	C(CHHP)(CH3)(H)2	C(PReCC)(CCHH)(H)2	H(CCCH)	109.2773	0.152	15	109.2773	0.023	15	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(PC[6]2Rh)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(PC[6]2Rh)(CCHH)(H)2	H(CCCH)	109.4070	0.289	3	109.4070	0.084	3	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	108.9410	0.004	2	108.9410	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	109.0155	0.084	4	109.0155	0.007	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	H(CCCH)	108.5847	0.216	4	108.5847	0.046	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(PC[6a]2W)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(PC[6a]2W)(CCHH)(H)2	H(CCCH)	108.3920	0.000	1	108.3920	0.000	1	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.5210	0.000	1	109.5210	0.000	1	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHOP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHOP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	108.2165	0.074	2	108.2165	0.006	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(COOU)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CHHP)(COOU)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	108.7155	0.030	2	108.7155	0.001	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6]2Pd)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6]2Pd)(CCHH)(H)2	H(CCCH)	108.5920	0.006	2	108.5920	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6]2Pt)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6]2Pt)(CCHH)(H)2	H(CCCH)	108.7831	0.068	8	108.7831	0.005	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6]NiC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6]NiC)(CCHH)(H)2	H(CCCH)	108.6292	0.160	16	108.6292	0.026	16	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Ag)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Ag)(CCHH)(H)2	H(CCCH)	108.5508	0.654	6	108.5508	0.428	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Au)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Au)(CCHH)(H)2	H(CCCH)	109.0837	0.391	31	109.0837	0.153	31	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Cl)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Cl)(CCHH)(H)2	H(CCCH)	110.0643	0.066	4	110.0643	0.004	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Co)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Co)(CCHH)(H)2	H(CCCH)	108.7997	0.391	36	108.7997	0.153	36	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Cr)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Cr)(CCHH)(H)2	H(CCCH)	108.6307	0.019	3	108.6307	0.000	3	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Cu)(CCHH)(H)2	H(CCCH)	108.4927	0.791	63	108.4927	0.625	63	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Fe)(CCHH)(H)2	H(CCCH)	109.3916	1.604	12	109.3916	2.573	12	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	109.2203	2.089	10	109.2203	4.365	10	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	H(CCCH)	108.6272	0.088	23	108.6272	0.008	23	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Ni)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Ni)(CCHH)(H)2	H(CCCH)	109.1229	0.894	26	109.1229	0.799	26	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Os)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Os)(CCHH)(H)2	H(CCCH)	109.4128	0.029	4	109.4128	0.001	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	108.9143	0.624	126	108.9143	0.389	126	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Pt)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Pt)(CCHH)(H)2	H(CCCH)	108.8452	0.732	163	108.8452	0.535	163	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Re)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Re)(CCHH)(H)2	H(CCCH)	108.2333	0.310	12	108.2333	0.096	12	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Rh)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Rh)(CCHH)(H)2	H(CCCH)	108.9450	0.188	14	108.9450	0.036	14	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	108.6694	0.212	12	108.6694	0.045	12	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	108.8126	0.393	9	108.8126	0.154	9	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]Au2)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]Au2)(CCHH)(H)2	H(CCCH)	108.2043	0.261	14	108.2043	0.068	14	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]BH)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]BH)(CCHH)(H)2	H(CCCH)	108.9723	0.030	4	108.9723	0.001	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]C[6]Ir)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]C[6]Ir)(CCHH)(H)2	H(CCCH)	110.4755	2.798	2	110.4755	7.829	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]CuC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]CuC)(CCHH)(H)2	H(CCCH)	108.2276	0.281	8	108.2276	0.079	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]FeC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]FeC)(CCHH)(H)2	H(CCCH)	108.2563	0.504	11	108.2563	0.254	11	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]IrC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]IrC)(CCHH)(H)2	H(CCCH)	109.0178	0.177	12	109.0178	0.032	12	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]MoC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]MoC)(CCHH)(H)2	H(CCCH)	108.6183	0.135	3	108.6183	0.018	3	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]NiC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]NiC)(CCHH)(H)2	H(CCCH)	108.7697	0.197	15	108.7697	0.039	15	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]PdC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]PdC)(CCHH)(H)2	H(CCCH)	108.5557	0.190	22	108.5557	0.036	22	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]PtC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]PtC)(CCHH)(H)2	H(CCCH)	108.4702	0.231	38	108.4702	0.053	38	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PC[6a]RhC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PC[6a]RhC)(CCHH)(H)2	H(CCCH)	109.0139	0.116	16	109.0139	0.013	16	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PCoCC)(CCHH)(H)2	H(CCCH)	109.7108	2.217	8	109.7108	4.914	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PCuCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PCuCC)(CCHH)(H)2	H(CCCH)	108.5711	0.202	42	108.5711	0.041	42	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PFeCC)(CCHH)(H)2	H(CCCH)	108.6116	0.332	8	108.6116	0.110	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PMoCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PMoCC)(CCHH)(H)2	H(CCCH)	108.5415	0.046	4	108.5415	0.002	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PMoCH)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PMoCH)(CCHH)(H)2	H(CCCH)	108.7075	0.016	4	108.7075	0.000	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	108.4810	1.719	4	108.4810	2.953	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PPdCC)(CCHH)(H)2	H(CCCH)	108.5194	1.568	36	108.5194	2.460	36	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	111.2765	2.129	4	111.2765	4.532	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PReCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PReCC)(CCHH)(H)2	H(CCCH)	109.5294	1.336	8	109.5294	1.785	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PRhCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PRhCC)(CCHH)(H)2	H(CCCH)	108.5972	0.354	12	108.5972	0.125	12	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)2(H)2	C(PRuCC)(CCHH)(H)2	H(CCCH)	C(CHHP)2(H)2	C(PRuCC)(CCHH)(H)2	H(CCCH)	108.4557	0.187	30	108.4557	0.035	30	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CIrHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	C(CIrHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	109.6985	0.021	2	109.6985	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	109.8789	0.528	10	109.8789	0.278	10	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	H(CCCH)	110.6950	0.068	2	110.6950	0.005	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	H(CCCH)	C(CN[5a]HH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	H(CCCH)	108.9500	0.410	4	108.9500	0.168	4	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CNiCH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	C(CNiCH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	H(CCCH)	109.2561	0.346	40	109.2561	0.120	40	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(COsCH)(CHHP)(H)2	C(POsCC)(CCHH)(H)2	H(CCCH)	C(COsCH)(CHHP)(H)2	C(POsCC)(CCHH)(H)2	H(CCCH)	109.2995	0.046	6	109.2995	0.002	6	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	C(CPdCH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	H(CCCH)	109.4377	0.376	16	109.4377	0.141	16	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	C(CPtCH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	H(CCCH)	109.5790	0.054	2	109.5790	0.003	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CRhCH)(CHHP)(H)2	C(PC[6]RhC)(CCHH)(H)2	H(CCCH)	C(CRhCH)(CHHP)(H)2	C(PC[6]RhC)(CCHH)(H)2	H(CCCH)	108.5873	0.089	3	108.5873	0.008	3	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CRhHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	H(CCCH)	C(CRhHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	H(CCCH)	109.3675	0.080	2	109.3675	0.006	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CRhHS)(CHHP)(H)2	C(PC[6a]C[6]Rh)(CCHH)(H)2	H(CCCH)	C(CRhHS)(CHHP)(H)2	C(PC[6a]C[6]Rh)(CCHH)(H)2	H(CCCH)	109.9560	1.252	2	109.9560	1.566	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CRuCH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	C(CRuCH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	H(CCCH)	109.1549	0.204	8	109.1549	0.041	8	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	H(CCCH)	109.1865	0.018	2	109.1865	0.000	2	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	H(CCCH)	108.9662	0.334	26	108.9662	0.111	26	108.8655	0.512	2226	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CP[4]HH)(H)2	C(P[4]C[4]2Ru)(CCHH)(H)2	H(CCCH)	C(CC[6]HH)(CP[4]HH)(H)2	C(P[4]C[4]2Ru)(CCHH)(H)2	H(CCCH)	108.9858	0.129	5	108.9858	0.017	5	109.1561	0.066	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CP[4]HH)(H)2	C(P[4]C[4]2B)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CP[4]HH)(H)2	C(P[4]C[4]2B)(CCHH)(H)2	H(CCCH)	109.3690	0.215	4	109.3690	0.046	4	109.1561	0.066	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]CH)(CP[5]HH)(H)2	C(P[5]C[5]2Pd)(CCHH)(H)2	H(CCCH)	C(CP[5]CH)(CP[5]HH)(H)2	C(P[5]C[5]2Pd)(CCHH)(H)2	H(CCCH)	108.4330	0.004	2	108.4330	0.000	2	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CBHH)(H)2	C(P[5]B[5]C[5]C)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CBHH)(H)2	C(P[5]B[5]C[5]C)(CCHH)(H)2	H(CCCH)	109.2810	0.011	2	109.2810	0.000	2	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CBHH)(H)2	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CBHH)(H)2	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	H(CCCH)	109.8745	0.026	2	109.8745	0.001	2	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	H(CCCH)	109.1054	0.039	5	109.1054	0.001	5	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6a]2O)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6a]2O)(CCHH)(H)2	H(CCCH)	109.1820	0.000	1	109.1820	0.000	1	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Au)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Au)(CCHH)(H)2	H(CCCH)	109.1003	0.171	4	109.1003	0.029	4	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	H(CCCH)	109.1912	0.311	12	109.1912	0.097	12	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	109.5282	1.529	4	109.5282	2.337	4	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Se)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Se)(CCHH)(H)2	H(CCCH)	109.2170	0.257	4	109.2170	0.066	4	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHH)(H)2	C(P[5]P[5]2Sm)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHH)(H)2	C(P[5]P[5]2Sm)(CCHH)(H)2	H(CCCH)	109.0165	0.013	2	109.0165	0.000	2	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)(CCHN)(H)2	C(P[5]C[5,6a]2B)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)(CCHN)(H)2	C(P[5]C[5,6a]2B)(CCHH)(H)2	H(CCCH)	108.2250	2.097	2	108.2250	4.399	2	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)2(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)2(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	H(CCCH)	109.0405	0.019	4	109.0405	0.000	4	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(CP[5]HH)2(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	C(CP[5]HH)2(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	H(CCCH)	109.0743	0.263	7	109.0743	0.069	7	109.1319	0.355	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	H(CCCH)	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	H(CCCH)	109.3530	0.010	2	109.3530	0.000	2	108.9863	0.064	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Pd)(CCHH)(H)2	H(CCCH)	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Pd)(CCHH)(H)2	H(CCCH)	108.8620	0.017	2	108.8620	0.000	2	108.9863	0.064	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	H(CCCH)	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	H(CCCH)	109.1115	0.005	2	109.1115	0.000	2	108.9863	0.064	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CHHN)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	H(CCCH)	C(CP[6,6]HH)(CHHN)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	H(CCCH)	108.5595	0.028	2	108.5595	0.001	2	108.9863	0.064	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)2(H)2	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	H(CCCH)	C(CP[6,6]HH)2(H)2	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	H(CCCH)	109.0160	0.024	4	109.0160	0.001	4	108.9863	0.064	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:	C(CP[6]HH)(CCHH)(H)2	C(P[6]C[6]2Mn)(CCHH)(H)2	H(CCCH)	C(CP[6]HH)(CCHH)(H)2	C(P[6]C[6]2Mn)(CCHH)(H)2	H(CCCH)	108.5130	0.013	2	108.5130	0.000	2	108.9881	0.108	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:	C(CP[6]HH)(CH3)(H)2	C(P[6]O[6]2O)(CCHH)(H)2	H(CCCH)	C(CP[6]HH)(CH3)(H)2	C(P[6]O[6]2O)(CCHH)(H)2	H(CCCH)	109.1320	0.020	2	109.1320	0.000	2	108.9881	0.108	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:	C(CP[6]HH)2(H)2	C(P[6]C[6]2Pt)(CCHH)(H)2	H(CCCH)	C(CP[6]HH)2(H)2	C(P[6]C[6]2Pt)(CCHH)(H)2	H(CCCH)	109.2090	0.055	3	109.2090	0.003	3	108.9881	0.108	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:Br-1:H-1:	C-4:	C(CBrHS)(CCHO)(H)2	C(SC[6a]OO)(CCHH)(Br)(H)	H(CCCH)	C(CBrHS)(CCHO)(H)2	C(SC[6a]OO)(CCHH)(Br)(H)	H(CCCH)	108.6888	0.238	6	108.6888	0.057	6	108.6888	0.057	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CHHS)(H)2	C(SC[5a]OO)(CCHH)(H)2	H(CCCH)	C(CCCO)(CHHS)(H)2	C(SC[5a]OO)(CCHH)(H)2	H(CCCH)	109.0633	0.073	3	109.0633	0.005	3	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[6,6]OO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[6,6]OO)(CCHH)(H)2	H(CCCH)	109.4625	0.013	2	109.4625	0.000	2	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	109.2610	0.246	8	109.2610	0.060	8	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	C(CCHO)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	109.5485	0.032	4	109.5485	0.001	4	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CCHS)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	C(CCHS)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	109.5815	0.019	2	109.5815	0.000	2	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHS)(H)2	C(SC[6a]RuO)(CCHH)(H)2	H(CCCH)	C(CC[5]HH)(CHHS)(H)2	C(SC[6a]RuO)(CCHH)(H)2	H(CCCH)	108.9255	0.008	2	108.9255	0.000	2	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)(H)2	C(SRhOO)(CCHH)(H)2	H(CCCH)	C(CHHN)(CHHS)(H)2	C(SRhOO)(CCHH)(H)2	H(CCCH)	108.8985	0.026	2	108.8985	0.001	2	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	C(CHHP)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	H(CCCH)	108.7745	0.046	2	108.7745	0.002	2	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(H)2	C(SPtCO)(CCHH)(H)2	H(CCCH)	C(CHHS)(CH3)(H)2	C(SPtCO)(CCHH)(H)2	H(CCCH)	108.6640	0.310	4	108.6640	0.096	4	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SC[6a]PtO)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SC[6a]PtO)(CCHH)(H)2	H(CCCH)	109.0010	0.048	3	109.0010	0.002	3	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SFe2O)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SFe2O)(CCHH)(H)2	H(CCCH)	108.4235	0.012	2	108.4235	0.000	2	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)2(H)2	C(SMn2C)(CCHH)(H)2	H(CCCH)	C(CHHS)2(H)2	C(SMn2C)(CCHH)(H)2	H(CCCH)	109.5595	0.062	4	109.5595	0.004	4	109.1448	0.144	38	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	S[5]-4:C-4:H-1:H-1:	C-4:	C(CS[5]HH)(CCHN)(H)2	C(S[5]C[5]N[5]O)(CCHH)(H)2	H(CCCH)	C(CS[5]HH)(CCHN)(H)2	C(S[5]C[5]N[5]O)(CCHH)(H)2	H(CCCH)	110.2735	3.449	2	110.2735	11.893	2	110.2735	11.893	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CSiHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	H(CCCH)	C(CC[6a]HH)(CSiHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	H(CCCH)	109.0640	1.621	2	109.0640	2.627	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CSiHH)(H)2	C(SiC[6a]2C)(CCHH)(H)2	H(CCCH)	C(CN[5]HH)(CSiHH)(H)2	C(SiC[6a]2C)(CCHH)(H)2	H(CCCH)	109.0615	0.036	2	109.0615	0.001	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	109.8783	0.543	6	109.8783	0.295	6	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiCOO)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiCOO)(CCHH)(H)2	H(CCCH)	108.3298	0.039	4	108.3298	0.002	4	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiC[5]CC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiC[5]CC)(CCHH)(H)2	H(CCCH)	109.0985	0.009	2	109.0985	0.000	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiC[5]MnH)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiC[5]MnH)(CCHH)(H)2	H(CCCH)	108.7865	0.008	2	108.7865	0.000	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	H(CCCH)	108.8225	0.025	2	108.8225	0.001	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiC[6a]CC)(CCHH)(H)2	H(CCCH)	108.7864	0.158	22	108.7864	0.025	22	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiCl2C)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiCl2C)(CCHH)(H)2	H(CCCH)	109.1418	1.653	4	109.1418	2.731	4	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	H(CCCH)	109.0490	0.096	2	109.0490	0.009	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiHHN)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiHHN)(CCHH)(H)2	H(CCCH)	108.7210	0.000	1	108.7210	0.000	1	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CH3)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	108.8149	0.226	13	108.8149	0.051	13	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)(H)2	C(SiC[6a]CC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CH3)(H)2	C(SiC[6a]CC)(CCHH)(H)2	H(CCCH)	108.9248	0.023	4	108.9248	0.001	4	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	108.8257	0.096	4	108.8257	0.009	4	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHN)(H)2	C(SiCOO)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHN)(H)2	C(SiCOO)(CCHH)(H)2	H(CCCH)	108.9148	0.451	6	108.9148	0.203	6	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHP)(H)2	C(SiCCH)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHP)(H)2	C(SiCCH)(CCHH)(H)2	H(CCCH)	109.1630	0.066	2	109.1630	0.004	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHP)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHP)(H)2	C(SiCCO)(CCHH)(H)2	H(CCCH)	108.3617	0.560	3	108.3617	0.314	3	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHP)(H)2	C(SiIrCC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHP)(H)2	C(SiIrCC)(CCHH)(H)2	H(CCCH)	108.9582	0.281	19	108.9582	0.079	19	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHP)(H)2	C(SiIrCF)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHP)(H)2	C(SiIrCF)(CCHH)(H)2	H(CCCH)	109.2515	0.013	2	109.2515	0.000	2	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CHHS)(H)2	C(SiCOO)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CHHS)(H)2	C(SiCOO)(CCHH)(H)2	H(CCCH)	108.8028	0.532	6	108.8028	0.283	6	108.9163	0.255	108	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	H(CCCH)	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	H(CCCH)	108.3340	0.000	1	108.3340	0.000	1	108.5826	0.171	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	H(CCCH)	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	H(CCCH)	108.2555	0.018	2	108.2555	0.000	2	108.5826	0.171	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:	C(CSi[5]HH)(CH3)(H)2	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	H(CCCH)	C(CSi[5]HH)(CH3)(H)2	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	H(CCCH)	109.0340	0.027	2	109.0340	0.001	2	108.5826	0.171	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)(I)	C(CCHI)(CCHS)(H)2	H(CCCI)	C(CCHH)(CC3)(H)(I)	C(CCHI)(CCHS)(H)2	H(CCCI)	109.6925	4.180	2	109.6925	17.470	2	109.6703	11.580	15	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CCCH)(CCHI)(H)2	H(CCCI)	C(CCHH)2(H)(I)	C(CCCH)(CCHI)(H)2	H(CCCI)	107.6300	0.281	2	107.6300	0.079	2	109.6703	11.580	15	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	H(CCCI)	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	H(CCCI)	110.0060	4.057	5	110.0060	16.458	5	109.6703	11.580	15	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CCHI)(CHHO)(H)2	H(CCCI)	C(CCHH)2(H)(I)	C(CCHI)(CHHO)(H)2	H(CCCI)	112.4880	4.096	3	112.4880	16.777	3	109.6703	11.580	15	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CC[5]HH)(CCHI)(H)2	H(CCCI)	C(CCHH)2(H)(I)	C(CC[5]HH)(CCHI)(H)2	H(CCCI)	107.6845	0.288	2	107.6845	0.083	2	109.6703	11.580	15	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)(I)	C(CCCH)(CCHI)(H)2	H(CCCI)	C(CC[6a]HH)(CCHH)(H)(I)	C(CCCH)(CCHI)(H)2	H(CCCI)	107.5460	0.000	1	107.5460	0.000	1	109.6703	11.580	15	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:N-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)(N)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CH3)(H)(N)	C(CCHN)(CH3)(H)2	H(CCCN)	100.2740	0.000	1	100.2740	0.000	1	100.2740	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:O-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(H)(O)	C(NCuCH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(H)(O)	C(NCuCH)(CCHO)(H)2	H(CCCO)	107.8475	0.012	2	107.8475	0.000	2	107.8475	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C[5]-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	H(CC[5]CH)	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	H(CC[5]CH)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Ge-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(GeC3)(H)2	C(CGeHH)(CHHN)(H)2	H(CGeCH)	C(CCHH)(GeC3)(H)2	C(CGeHH)(CHHN)(H)2	H(CGeCH)	108.2552	0.183	6	108.2552	0.033	6	108.2552	0.033	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(NC3)(H)2	C(BC[6a]3)(CHHN)(H)2	H(CCHN)	C(CBHH)(NC3)(H)2	C(BC[6a]3)(CHHN)(H)2	H(CCHN)	108.2430	0.110	4	108.2430	0.012	4	108.2430	0.012	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(NFeHH)(H)2	C(CBrHH)(CHHN)(Br)(H)	H(CCHN)	C(CBrCH)(NFeHH)(H)2	C(CBrHH)(CHHN)(Br)(H)	H(CCHN)	108.8070	0.075	2	108.8070	0.006	2	108.8070	0.006	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(NH3)(H)2	C(CCHH)(CHHN)(F)2	H(CCHN)	C(CCFF)(NH3)(H)2	C(CCHH)(CHHN)(F)2	H(CCHN)	109.3580	0.004	2	109.3580	0.000	2	109.3580	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(NCHH)(H)2	C(CHHN)2(F)(H)	H(CCHN)	C(CCFH)(NCHH)(H)2	C(CHHN)2(F)(H)	H(CCHN)	108.7812	0.126	4	108.7812	0.016	4	108.7812	0.016	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NBCC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NBCC)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.9842	1.211	5	109.9842	1.468	5	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NBCC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NBCC)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.3100	0.010	2	108.3100	0.000	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NBHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NBHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8390	0.024	2	108.8390	0.001	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CBrHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CBrHH)(CHHN)(H)2	H(CCHN)	108.5200	0.182	6	108.5200	0.033	6	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.3289	1.006	7367	108.3289	1.013	7367	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	108.1345	0.086	4	108.1345	0.007	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.1381	0.908	565	108.1381	0.825	565	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.3847	0.080	4	108.3847	0.006	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.3516	0.054	8	108.3516	0.003	8	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	H(CCHN)	108.8384	1.163	25	108.8384	1.353	25	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	108.7055	0.022	2	108.7055	0.000	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	108.5490	0.045	2	108.5490	0.002	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NC3)(H)2	C(CSnHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NC3)(H)2	C(CSnHH)(CHHN)(H)2	H(CCHN)	107.6110	0.030	2	107.6110	0.001	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCD)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCCD)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8457	0.138	6	108.8457	0.019	6	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	108.7860	0.035	2	108.7860	0.001	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.6655	0.381	87	108.6655	0.145	87	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	109.5178	0.327	4	109.5178	0.107	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	H(CCHN)	108.2021	0.680	8	108.2021	0.462	8	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CC[6a]CO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CC[6a]CO)(CHHN)(H)2	H(CCHN)	109.1472	0.137	5	109.1472	0.019	5	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	109.0618	0.102	4	109.0618	0.010	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.7047	0.335	48	108.7047	0.112	48	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.6456	0.199	8	108.6456	0.039	8	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.3785	0.009	2	108.3785	0.000	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0024	1.358	173	109.0024	1.845	173	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(H)2	C(CO[4]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCH)(H)2	C(CO[4]HH)(CHHN)(H)2	H(CCHN)	108.8225	0.025	2	108.8225	0.001	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCCS)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.2980	0.000	1	108.2980	0.000	1	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CCFF)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CCFF)(CHHN)(H)2	H(CCHN)	105.9025	3.046	4	105.9025	9.278	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1768	1.000	170	109.1768	1.000	170	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	108.9905	0.019	2	108.9905	0.000	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	H(CCHN)	109.3970	0.000	1	109.3970	0.000	1	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	H(CCHN)	109.3827	0.185	6	109.3827	0.034	6	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CHHN)(CC3)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CHHN)(CC3)(H)2	H(CCHN)	110.9170	3.614	6	110.9170	13.060	6	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.3004	0.517	44	109.3004	0.268	44	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.8625	0.596	4	108.8625	0.355	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2797	0.930	283	109.2797	0.865	283	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	109.2734	0.226	10	109.2734	0.051	10	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.2933	0.457	3	109.2933	0.209	3	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	108.5260	0.069	2	108.5260	0.005	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ND3)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(ND3)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.6970	0.035	2	109.6970	0.001	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ND3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(ND3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.2005	0.015	2	109.2005	0.000	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CBrCH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CBrCH)(CHHN)(H)2	H(CCHN)	108.5430	0.747	4	108.5430	0.558	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CCCF)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CCCF)(CHHN)(H)2	H(CCHN)	110.8980	0.130	2	110.8980	0.017	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CCCH)(CHHN)(H)2	H(CCHN)	110.0267	2.437	4	110.0267	5.937	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.4683	1.627	940	109.4683	2.647	940	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	110.8775	0.835	2	110.8775	0.697	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	H(CCHN)	110.6725	0.848	2	110.6725	0.719	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	109.4386	0.306	20	109.4386	0.094	20	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CClCH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CClCH)(CHHN)(H)2	H(CCHN)	109.4013	0.023	4	109.4013	0.001	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHI)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHI)(CHHN)(H)2	H(CCHN)	109.5275	0.234	6	109.5275	0.055	6	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.3265	1.059	52	109.3265	1.122	52	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.3653	0.263	13	109.3653	0.069	13	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	112.4355	1.101	2	112.4355	1.212	2	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(CN3)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(CN3)(H)2	H(CCHN)	110.2511	0.990	7	110.2511	0.981	7	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)(COPP)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)(COPP)(H)2	H(CCHN)	110.7660	1.606	4	110.7660	2.578	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	H(CCHN)	109.5097	1.597	307	109.5097	2.550	307	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	109.4095	0.327	13	109.4095	0.107	13	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	109.2918	0.213	4	109.2918	0.045	4	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(CCHH)(NH3)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.7799	1.394	30	109.7799	1.943	30	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NHHO)(H)2	C(CHHN)2(H)2	H(CCHN)	C(CCHH)(NHHO)(H)2	C(CHHN)2(H)2	H(CCHN)	109.6246	0.419	7	109.6246	0.176	7	108.5466	1.397	10306	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NBCC)(H)2	C(CHHN)(NBCC)(H)2	H(CCHN)	C(CHHN)(NBCC)(H)2	C(CHHN)(NBCC)(H)2	H(CCHN)	107.6300	0.015	3	107.6300	0.000	3	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	109.7234	1.260	16	109.7234	1.587	16	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NC3)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NC3)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.8135	0.035	2	108.8135	0.001	2	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.3449	1.950	218	109.3449	3.801	218	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.1549	0.926	98	109.1549	0.858	98	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.8404	0.466	47	108.8404	0.217	47	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCCV)(H)2	C(CHHN)(NCCV)(H)2	H(CCHN)	C(CHHN)(NCCV)(H)2	C(CHHN)(NCCV)(H)2	H(CCHN)	109.1178	0.864	16	109.1178	0.746	16	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.5077	1.141	92	109.5077	1.303	92	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.4962	1.690	558	109.4962	2.856	558	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	109.5717	1.505	175	109.5717	2.264	175	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCHV)(H)2	C(CHHN)(NHHV)(H)2	H(CCHN)	C(CHHN)(NCHV)(H)2	C(CHHN)(NHHV)(H)2	H(CCHN)	110.1928	0.272	8	110.1928	0.074	8	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NC3)(H)2	H(CCHN)	109.8220	0.014	2	109.8220	0.000	2	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	109.2831	0.634	49	109.2831	0.402	49	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.5738	1.769	175	109.5738	3.128	175	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	109.5405	1.365	727	109.5405	1.864	727	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHHO)(H)2	C(CHHN)(NHHO)(H)2	H(CCHN)	C(CHHN)(NHHO)(H)2	C(CHHN)(NHHO)(H)2	H(CCHN)	108.7585	0.054	2	108.7585	0.003	2	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHHV)(H)2	C(CHHN)(NCHV)(H)2	H(CCHN)	C(CHHN)(NHHV)(H)2	C(CHHN)(NCHV)(H)2	H(CCHN)	110.0639	0.466	8	110.0639	0.217	8	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHHV)(H)2	C(CHHN)(NHHV)(H)2	H(CCHN)	C(CHHN)(NHHV)(H)2	C(CHHN)(NHHV)(H)2	H(CCHN)	109.9392	0.242	6	109.9392	0.059	6	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHHW)(H)2	C(CHHN)(NHHW)(H)2	H(CCHN)	C(CHHN)(NHHW)(H)2	C(CHHN)(NHHW)(H)2	H(CCHN)	109.8280	0.243	4	109.8280	0.059	4	109.4764	2.286	2206	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(NCCW)(H)2	C(CHHN)(PCCW)(H)2	H(CCHN)	C(CHHP)(NCCW)(H)2	C(CHHN)(PCCW)(H)2	H(CCHN)	109.5042	0.065	4	109.5042	0.004	4	109.3360	0.148	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(NCHW)(H)2	C(CHHN)(PCCW)(H)2	H(CCHN)	C(CHHP)(NCHW)(H)2	C(CHHN)(PCCW)(H)2	H(CCHN)	109.7470	0.014	2	109.7470	0.000	2	109.3360	0.148	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(NH3)(H)2	C(CHHN)(PC3)(H)2	H(CCHN)	C(CHHP)(NH3)(H)2	C(CHHN)(PC3)(H)2	H(CCHN)	108.9622	0.320	4	108.9622	0.102	4	109.3360	0.148	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NCHH)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	C(CHHS)(NCHH)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	109.4019	0.195	8	109.4019	0.038	8	109.8854	1.487	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(CHHN)(SO3)(H)2	H(CCHN)	110.3689	1.617	8	110.3689	2.614	8	109.8854	1.487	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(NCHH)(H)2	C(CHHN)(SiC3)(H)2	H(CCHN)	C(CSiHH)(NCHH)(H)2	C(CHHN)(SiC3)(H)2	H(CCHN)	109.1015	0.019	2	109.1015	0.000	2	109.1015	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(NCHH)(H)2	C(C[4]C[4]2H)(CHHN)(H)2	H(CCHN)	C(CC[4]HH)(NCHH)(H)2	C(C[4]C[4]2H)(CHHN)(H)2	H(CCHN)	109.2845	0.023	2	109.2845	0.001	2	109.2845	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NBaCC)(H)2	C(C[5]C[5]2Ba)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NBaCC)(H)2	C(C[5]C[5]2Ba)(CHHN)(H)2	H(CCHN)	108.8415	0.030	2	108.8415	0.001	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Cr)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Cr)(CHHN)(H)2	H(CCHN)	108.6585	0.056	2	108.6585	0.003	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2Mo)(CHHN)(H)2	H(CCHN)	108.6590	0.020	2	108.6590	0.000	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2W)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NC3)(H)2	C(C[5]C[5]2W)(CHHN)(H)2	H(CCHN)	108.4640	0.209	4	108.4640	0.043	4	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCCV)(H)2	C(C[5]C[5]2V)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCCV)(H)2	C(C[5]C[5]2V)(CHHN)(H)2	H(CCHN)	109.3415	0.012	2	109.3415	0.000	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CCHN)	109.6580	0.034	2	109.6580	0.001	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NCHH)(H)2	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	H(CCHN)	108.9975	0.009	2	108.9975	0.000	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NEuCC)(H)2	C(C[5]C[5,6]C[5]Eu)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NEuCC)(H)2	C(C[5]C[5,6]C[5]Eu)(CHHN)(H)2	H(CCHN)	108.7145	0.040	2	108.7145	0.002	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NH3)(H)2	C(C[5]C[5]N[5]H)(CHHN)(H)2	H(CCHN)	108.3730	0.910	7	108.3730	0.829	7	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NIrCC)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NIrCC)(H)2	C(C[5]C[5]2Ir)(CHHN)(H)2	H(CCHN)	108.6800	0.130	2	108.6800	0.017	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NOsCH)(H)2	C(C[5]C[5]2Os)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NOsCH)(H)2	C(C[5]C[5]2Os)(CHHN)(H)2	H(CCHN)	109.5045	0.080	2	109.5045	0.006	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NPtHH)(H)2	C(C[5]C[5]2Fe)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NPtHH)(H)2	C(C[5]C[5]2Fe)(CHHN)(H)2	H(CCHN)	109.5090	0.033	2	109.5090	0.001	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NRhCC)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NRhCC)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	109.0955	0.484	6	109.0955	0.234	6	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NRhCH)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NRhCH)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	107.5055	0.087	2	107.5055	0.008	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NRhHH)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NRhHH)(H)2	C(C[5]C[5]2Rh)(CHHN)(H)2	H(CCHN)	109.2625	0.300	4	109.2625	0.090	4	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NSn2C)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NSn2C)(H)2	C(C[5]C[5,6a]2H)(CHHN)(H)2	H(CCHN)	108.8582	0.111	4	108.8582	0.012	4	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NTiCC)(H)2	C(C[5]C[5,6]C[5]Ti)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NTiCC)(H)2	C(C[5]C[5,6]C[5]Ti)(CHHN)(H)2	H(CCHN)	110.4370	0.583	2	110.4370	0.339	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NZnCC)(H)2	C(C[5]C[5]2Zn)(CHHN)(H)2	H(CCHN)	C(CC[5]HH)(NZnCC)(H)2	C(C[5]C[5]2Zn)(CHHN)(H)2	H(CCHN)	109.1450	0.040	2	109.1450	0.002	2	108.9182	0.452	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NC3)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NC3)(H)2	C(C[6]C[6]2H)(CHHN)(H)2	H(CCHN)	108.1210	0.049	2	108.1210	0.002	2	108.9602	0.328	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCCH)(H)2	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCCH)(H)2	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	H(CCHN)	109.2908	0.479	4	109.2908	0.230	4	108.9602	0.328	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCuCC)(H)2	C(C[6]C[6,6a]C[6]Cu)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NCuCC)(H)2	C(C[6]C[6,6a]C[6]Cu)(CHHN)(H)2	H(CCHN)	109.1415	0.015	2	109.1415	0.000	2	108.9602	0.328	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NFeCC)(H)2	C(C[6]O[6]2H)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NFeCC)(H)2	C(C[6]O[6]2H)(CHHN)(H)2	H(CCHN)	108.6767	0.283	6	108.6767	0.080	6	108.9602	0.328	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NRuHH)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	C(CC[6]HH)(NRuHH)(H)2	C(C[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	109.8075	0.009	2	109.8075	0.000	2	108.9602	0.328	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	108.7895	0.069	2	108.7895	0.005	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCCH)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	110.0200	0.057	2	110.0200	0.003	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	109.4615	0.028	2	109.4615	0.001	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	106.7735	0.795	2	106.7735	0.633	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NCHH)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NCHH)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	108.0405	0.013	2	108.0405	0.000	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	108.5258	0.074	4	108.5258	0.006	4	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	108.9640	0.062	2	108.9640	0.004	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	109.1400	0.048	2	109.1400	0.002	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	109.4780	0.055	2	109.4780	0.003	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(NH3)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	C(CHHN)(NH3)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	110.1420	0.033	2	110.1420	0.001	2	108.8964	0.895	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(NCuCC)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[4]HH)(NCuCC)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	109.8100	0.008	2	109.8100	0.000	2	110.2715	0.052	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(NCuCH)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[4]HH)(NCuCH)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	110.3112	0.247	10	110.3112	0.061	10	110.2715	0.052	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(NCuHH)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[4]HH)(NCuHH)(H)2	C(N[4]C[4]2Cu)(CHHN)(H)2	H(CCHN)	110.3241	0.094	10	110.3241	0.009	10	110.2715	0.052	22	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(NH3)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	H(CCHN)	C(CN[5,5]HH)(NH3)(H)2	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	H(CCHN)	109.4005	0.035	2	109.4005	0.001	2	109.4005	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCuCH)(H)2	C(N[5]C[5]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NCuCH)(H)2	C(N[5]C[5]2Cu)(CHHN)(H)2	H(CCHN)	109.7756	0.345	12	109.7756	0.119	12	109.8392	0.236	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NMnCH)(H)2	C(N[5]C[5]2Mn)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NMnCH)(H)2	C(N[5]C[5]2Mn)(CHHN)(H)2	H(CCHN)	109.4820	0.020	2	109.4820	0.000	2	109.8392	0.236	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NNiCH)(H)2	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NNiCH)(H)2	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CCHN)	109.8813	0.665	10	109.8813	0.442	10	109.8392	0.236	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NNiHH)(H)2	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NNiHH)(H)2	C(N[5]C[5]2Ni)(CHHN)(H)2	H(CCHN)	109.8630	0.000	1	109.8630	0.000	1	109.8392	0.236	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5]2Ru)(CHHN)(H)2	H(CCHN)	C(CN[5]HH)(NRuCH)(H)2	C(N[5]C[5]2Ru)(CHHN)(H)2	H(CCHN)	110.3555	0.009	2	110.3555	0.000	2	109.8392	0.236	27	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCdHH)(H)2	C(N[6]C[6]2Cd)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCdHH)(H)2	C(N[6]C[6]2Cd)(CHHN)(H)2	H(CCHN)	109.3665	0.073	2	109.3665	0.005	2	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCoCH)(H)2	C(N[6]C[6]2Co)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCoCH)(H)2	C(N[6]C[6]2Co)(CHHN)(H)2	H(CCHN)	110.2435	0.035	2	110.2435	0.001	2	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCoHH)(H)2	C(N[6]C[6]2Co)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCoHH)(H)2	C(N[6]C[6]2Co)(CHHN)(H)2	H(CCHN)	109.8560	0.085	2	109.8560	0.007	2	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCuCC)(H)2	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCuCC)(H)2	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CCHN)	109.1147	0.366	6	109.1147	0.134	6	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCuCH)(H)2	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NCuCH)(H)2	C(N[6]C[6]2Cu)(CHHN)(H)2	H(CCHN)	110.2620	0.014	2	110.2620	0.000	2	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NFeCH)(H)2	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NFeCH)(H)2	C(N[6]C[6]2Fe)(CHHN)(H)2	H(CCHN)	110.0785	0.041	4	110.0785	0.002	4	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NH3)(H)2	C(N[6]C[6]2H)(CHHN)(H)2	H(CCHN)	109.0629	0.690	28	109.0629	0.476	28	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NIrCH)(H)2	C(N[6]C[6]2Ir)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NIrCH)(H)2	C(N[6]C[6]2Ir)(CHHN)(H)2	H(CCHN)	109.5307	0.080	4	109.5307	0.006	4	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NMnCH)(H)2	C(N[6]C[6]2Mn)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NMnCH)(H)2	C(N[6]C[6]2Mn)(CHHN)(H)2	H(CCHN)	109.5927	0.286	4	109.5927	0.082	4	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NNiCH)(H)2	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NNiCH)(H)2	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CCHN)	110.4340	0.000	1	110.4340	0.000	1	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NNiHH)(H)2	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NNiHH)(H)2	C(N[6]C[6]2Ni)(CHHN)(H)2	H(CCHN)	109.9175	0.016	2	109.9175	0.000	2	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NPtHH)(H)2	C(N[6]C[6]2Pt)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NPtHH)(H)2	C(N[6]C[6]2Pt)(CHHN)(H)2	H(CCHN)	109.8570	0.035	2	109.8570	0.001	2	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NRuCH)(H)2	C(N[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NRuCH)(H)2	C(N[6]C[6]2Ru)(CHHN)(H)2	H(CCHN)	110.2625	0.345	18	110.2625	0.119	18	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NZnHH)(H)2	C(N[6]C[6]2Zn)(CHHN)(H)2	H(CCHN)	C(CN[6]HH)(NZnHH)(H)2	C(N[6]C[6]2Zn)(CHHN)(H)2	H(CCHN)	109.7085	0.053	2	109.7085	0.003	2	109.6056	0.476	79	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(NHHW)(H)2	C(PC[6a]2W)(CHHN)(H)2	H(CCHN)	C(CHHP)(NHHW)(H)2	C(PC[6a]2W)(CHHN)(H)2	H(CCHN)	109.6025	0.145	11	109.6025	0.021	11	109.6025	0.021	11	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(NH3)(H)2	C(SFe2H)(CHHN)(H)2	H(CCHN)	C(CHHS)(NH3)(H)2	C(SFe2H)(CHHN)(H)2	H(CCHN)	109.4348	0.344	4	109.4348	0.119	4	109.4348	0.119	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OFe3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(OFe3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	108.7262	1.404	6	108.7262	1.971	6	108.6637	0.688	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(OMg3)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	C(CCHH)(OMg3)(H)2	C(CHHO)(CH3)(H)2	H(CCHO)	108.5643	0.233	7	108.5643	0.054	7	108.6637	0.688	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(ONi3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	C(CCHH)(ONi3)(H)2	C(CHHN)(CHHO)(H)2	H(CCHO)	108.7707	0.057	3	108.7707	0.003	3	108.6637	0.688	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCo3)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCo3)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	109.7978	0.154	6	109.7978	0.024	6	109.5411	1.323	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OCo3)(H)2	C(NCoCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OCo3)(H)2	C(NCoCH)(CHHO)(H)2	H(CCHO)	109.8442	0.387	4	109.8442	0.150	4	109.5411	1.323	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OFe3)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OFe3)(H)2	C(NFeCC)(CHHO)(H)2	H(CCHO)	109.6896	0.230	9	109.6896	0.053	9	109.5411	1.323	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OLi3)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OLi3)(H)2	C(NLiCC)(CHHO)(H)2	H(CCHO)	109.0931	0.034	7	109.0931	0.001	7	109.5411	1.323	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMg3)(H)2	C(NMgHH)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMg3)(H)2	C(NMgHH)(CHHO)(H)2	H(CCHO)	109.7055	0.025	2	109.7055	0.001	2	109.5411	1.323	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(OMn3)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	C(CHHN)(OMn3)(H)2	C(NMnCC)(CHHO)(H)2	H(CCHO)	110.1165	0.050	2	110.1165	0.003	2	109.5411	1.323	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(ONi3)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	C(CHHN)(ONi3)(H)2	C(NNiCH)(CHHO)(H)2	H(CCHO)	108.3245	5.829	2	108.3245	33.974	2	109.5411	1.323	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	C-4:	C(CB[6,6]HH)(PC[6a]2Re)(H)2	C(B[6,6]C[6,6]2O)(CHHP)(H)2	H(CCHP)	C(CB[6,6]HH)(PC[6a]2Re)(H)2	C(B[6,6]C[6,6]2O)(CHHP)(H)2	H(CCHP)	107.5620	0.042	2	107.5620	0.002	2	107.5620	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PBCC)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PBCC)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.6839	1.646	7	109.6839	2.711	7	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PBCC)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(CCHH)(PBCC)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.3278	0.285	4	108.3278	0.081	4	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.3612	0.526	184	108.3612	0.277	184	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PC3)(H)2	C(CFHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PC3)(H)2	C(CFHH)(CHHP)(H)2	H(CCHP)	108.8005	2.218	2	108.8005	4.920	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PC3)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	C(CCHH)(PC3)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	108.6114	0.218	8	108.6114	0.047	8	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PC3)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(CCHH)(PC3)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.6232	0.229	5	108.6232	0.052	5	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PC3)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	C(CCHH)(PC3)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	109.0260	0.072	2	109.0260	0.005	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PC3)(H)2	C(CHHP)2(H)2	H(CCHP)	C(CCHH)(PC3)(H)2	C(CHHP)2(H)2	H(CCHP)	108.2895	0.029	2	108.2895	0.001	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.9924	0.763	8	107.9924	0.581	8	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(CCHH)(PCCH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.3685	0.042	12	108.3685	0.002	12	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCO)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PCCO)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.3497	0.910	16	108.3497	0.828	16	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCO)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	C(CCHH)(PCCO)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	108.9590	0.045	2	108.9590	0.002	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCO)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(CCHH)(PCCO)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	107.6840	0.844	25	107.6840	0.712	25	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCO)(H)2	C(CHHP)2(H)2	H(CCHP)	C(CCHH)(PCCO)(H)2	C(CHHP)2(H)2	H(CCHP)	107.0150	0.013	2	107.0150	0.000	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCW)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PCCW)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.2657	0.239	6	108.2657	0.057	6	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCCW)(H)2	C(CHHP)2(H)2	H(CCHP)	C(CCHH)(PCCW)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3235	0.088	4	108.3235	0.008	4	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PNOS)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(CCHH)(PNOS)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.7600	0.442	4	108.7600	0.196	4	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5362	0.317	79	108.5362	0.100	79	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PO3)(H)2	C(CC[6a]2C)(CHHP)(H)2	H(CCHP)	C(CCHH)(PO3)(H)2	C(CC[6a]2C)(CHHP)(H)2	H(CCHP)	108.1495	0.916	2	108.1495	0.839	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PO3)(H)2	C(CC[6a]3)(CHHP)(H)2	H(CCHP)	C(CCHH)(PO3)(H)2	C(CC[6a]3)(CHHP)(H)2	H(CCHP)	108.9500	0.000	1	108.9500	0.000	1	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	H(CCHP)	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	H(CCHP)	110.1400	2.098	4	110.1400	4.401	4	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PO3)(H)2	C(CHHP)2(H)2	H(CCHP)	C(CCHH)(PO3)(H)2	C(CHHP)2(H)2	H(CCHP)	108.7812	0.226	8	108.7812	0.051	8	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PO3)(H)2	C(CMnOO)(CHHP)(H)2	H(CCHP)	C(CCHH)(PO3)(H)2	C(CMnOO)(CHHP)(H)2	H(CCHP)	109.0090	0.030	2	109.0090	0.001	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PSe3)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(CCHH)(PSe3)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.2105	0.026	2	108.2105	0.001	2	108.4107	0.457	391	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(PC3)(H)2	C(CHHP)(NH3)(H)2	H(CCHP)	C(CHHN)(PC3)(H)2	C(CHHP)(NH3)(H)2	H(CCHP)	108.6633	0.155	4	108.6633	0.024	4	109.1803	0.168	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(PCCW)(H)2	C(CHHP)(NCCW)(H)2	H(CCHP)	C(CHHN)(PCCW)(H)2	C(CHHP)(NCCW)(H)2	H(CCHP)	109.3315	0.124	4	109.3315	0.015	4	109.1803	0.168	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(PCCW)(H)2	C(CHHP)(NCHW)(H)2	H(CCHP)	C(CHHN)(PCCW)(H)2	C(CHHP)(NCHW)(H)2	H(CCHP)	109.5460	0.108	4	109.5460	0.012	4	109.1803	0.168	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	H(CCHP)	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	H(CCHP)	109.0707	0.642	24	109.0707	0.412	24	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PC3)(H)2	C(CHHP)(PC3)(H)2	H(CCHP)	C(CHHP)(PC3)(H)2	C(CHHP)(PC3)(H)2	H(CCHP)	108.9583	0.312	6	108.9583	0.098	6	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCH)(H)2	C(CHHP)(PCCH)(H)2	H(CCHP)	C(CHHP)(PCCH)(H)2	C(CHHP)(PCCH)(H)2	H(CCHP)	109.1160	0.038	2	109.1160	0.001	2	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	H(CCHP)	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	H(CCHP)	108.9197	0.338	6	108.9197	0.114	6	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCP)(H)2	H(CCHP)	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCP)(H)2	H(CCHP)	109.0588	0.182	10	109.0588	0.033	10	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCW)(H)2	H(CCHP)	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCW)(H)2	H(CCHP)	108.9595	0.008	2	108.9595	0.000	2	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCU)(H)2	C(CHHP)(PCCU)(H)2	H(CCHP)	C(CHHP)(PCCU)(H)2	C(CHHP)(PCCU)(H)2	H(CCHP)	109.3687	0.391	26	109.3687	0.153	26	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCV)(H)2	C(CHHP)(PCCV)(H)2	H(CCHP)	C(CHHP)(PCCV)(H)2	C(CHHP)(PCCV)(H)2	H(CCHP)	109.2602	0.671	25	109.2602	0.450	25	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCW)(H)2	C(CHHP)(PCCP)(H)2	H(CCHP)	C(CHHP)(PCCW)(H)2	C(CHHP)(PCCP)(H)2	H(CCHP)	108.3270	0.025	2	108.3270	0.001	2	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCCW)(H)2	C(CHHP)(PCCW)(H)2	H(CCHP)	C(CHHP)(PCCW)(H)2	C(CHHP)(PCCW)(H)2	H(CCHP)	109.5037	1.329	112	109.5037	1.767	112	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PCOO)(H)2	C(CHHP)(PCOO)(H)2	H(CCHP)	C(CHHP)(PCOO)(H)2	C(CHHP)(PCOO)(H)2	H(CCHP)	109.6557	2.087	4	109.6557	4.355	4	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PHOO)(H)2	C(CHHP)(PHOO)(H)2	H(CCHP)	C(CHHP)(PHOO)(H)2	C(CHHP)(PHOO)(H)2	H(CCHP)	112.3785	0.750	2	112.3785	0.563	2	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	H(CCHP)	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	H(CCHP)	109.6446	1.687	10	109.6446	2.847	10	109.3839	1.262	231	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PAuCH)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PAuCH)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	108.9663	0.117	4	108.9663	0.014	4	109.1136	0.571	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PC3)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PC3)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	109.1485	0.205	6	109.1485	0.042	6	109.1136	0.571	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PCCW)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PCCW)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	H(CCHP)	108.3940	0.441	4	108.3940	0.194	4	109.1136	0.571	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PO3)(H)2	C(C[5]C[5]2H)(CHHP)(H)2	H(CCHP)	C(CC[5]HH)(PO3)(H)2	C(C[5]C[5]2H)(CHHP)(H)2	H(CCHP)	110.7425	0.508	2	110.7425	0.258	2	109.1136	0.571	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(PRuCC)(H)2	C(C[6]C[6]2Ru)(CHHP)(H)2	H(CCHP)	C(CC[6]HH)(PRuCC)(H)2	C(C[6]C[6]2Ru)(CHHP)(H)2	H(CCHP)	109.4420	0.563	6	109.4420	0.317	6	109.4420	0.317	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(PC[6]2B)(H)2	C(N[4]B[4]2C)(CHHP)(H)2	H(CCHP)	C(CN[4]HH)(PC[6]2B)(H)2	C(N[4]B[4]2C)(CHHP)(H)2	H(CCHP)	108.9712	0.029	4	108.9712	0.001	4	108.9712	0.001	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(PC3)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	C(CHHP)(PC3)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	107.6305	0.018	2	107.6305	0.000	2	108.2690	0.544	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:P-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(PCCP)(H)2	C(PMoCC)(CHHP)(H)2	H(CCHP)	C(CHHP)(PCCP)(H)2	C(PMoCC)(CHHP)(H)2	H(CCHP)	108.9075	0.012	2	108.9075	0.000	2	108.2690	0.544	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.6146	2.425	10	109.6146	5.878	10	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCOO)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SCOO)(H)2	C(CHHS)2(H)2	H(CCHS)	108.2885	0.204	4	108.2885	0.041	4	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SFe3)(H)2	C(CClHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SFe3)(H)2	C(CClHH)(CHHS)(H)2	H(CCHS)	108.5803	1.514	4	108.5803	2.291	4	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SMn3)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SMn3)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	108.5034	0.406	22	108.5034	0.165	22	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNOO)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SNOO)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	109.2170	0.127	4	109.2170	0.016	4	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SNOO)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(CCHH)(SNOO)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	108.6330	0.010	2	108.6330	0.000	2	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SO3)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SO3)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.7915	0.289	31	108.7915	0.083	31	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SO3)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(CCHH)(SO3)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.9597	0.273	16	108.9597	0.074	16	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SO3)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(CCHH)(SO3)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	109.3230	0.000	1	109.3230	0.000	1	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SO3)(H)2	C(CHHS)2(H)2	H(CCHS)	C(CCHH)(SO3)(H)2	C(CHHS)2(H)2	H(CCHS)	109.0855	0.057	2	109.0855	0.003	2	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SO3)(H)2	C(CN[3x6]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SO3)(H)2	C(CN[3x6]HH)(CHHS)(H)2	H(CCHS)	109.2120	0.052	2	109.2120	0.003	2	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SO3)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SO3)(H)2	C(CN[5]HH)(CHHS)(H)2	H(CCHS)	109.6539	1.356	22	109.6539	1.838	22	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CCHS)	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CCHS)	111.4554	1.260	15	111.4554	1.587	15	109.2656	1.732	135	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SO3)(H)2	C(CHHS)(NCHH)(H)2	H(CCHS)	C(CHHN)(SO3)(H)2	C(CHHS)(NCHH)(H)2	H(CCHS)	109.0913	0.160	8	109.0913	0.026	8	110.1803	3.604	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SO3)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(CHHN)(SO3)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	111.2694	2.233	8	111.2694	4.986	8	110.1803	3.604	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(SO3)(H)2	C(CHHS)(SO3)(H)2	H(CCHS)	C(CHHS)(SO3)(H)2	C(CHHS)(SO3)(H)2	H(CCHS)	110.2494	2.456	32	110.2494	6.032	32	110.2494	6.032	32	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	C(CSiHH)(SNOO)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	109.1403	0.265	6	109.1403	0.070	6	109.1403	0.070	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SFOO)(H)2	C(C[5]C[5]S[5]H)(CHHS)(H)2	H(CCHS)	C(CC[5]HH)(SFOO)(H)2	C(C[5]C[5]S[5]H)(CHHS)(H)2	H(CCHS)	108.4600	0.030	2	108.4600	0.001	2	108.4600	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(SC[6a]OO)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	H(CCHS)	C(CC[6,6]HH)(SC[6a]OO)(H)2	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	H(CCHS)	108.7428	0.071	4	108.7428	0.005	4	108.7428	0.005	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2H)(CHHS)(H)2	H(CCHS)	C(CN[6]HH)(SO3)(H)2	C(N[6]C[6]2H)(CHHS)(H)2	H(CCHS)	111.8977	1.684	6	111.8977	2.835	6	111.8977	2.835	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SO3)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHS)	C(CHHP)(SO3)(H)2	C(PC[6a]2Pd)(CHHS)(H)2	H(CCHS)	108.6195	0.013	2	108.6195	0.000	2	108.6195	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(SC3)(H)2	C(SiN[5]OO)(CHHS)(H)2	H(CCHS)	C(CSiHH)(SC3)(H)2	C(SiN[5]OO)(CHHS)(H)2	H(CCHS)	108.5750	0.040	2	108.5750	0.002	2	108.7420	0.370	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:S-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(SCOO)(H)2	C(SiCCO)(CHHS)(H)2	H(CCHS)	C(CSiHH)(SCOO)(H)2	C(SiCCO)(CHHS)(H)2	H(CCHS)	108.8255	0.767	4	108.8255	0.588	4	108.7420	0.370	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CC[6]HH)(CSiHH)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CC[6]HH)(CSiHH)(H)2	H(CSiCH)	108.9340	0.000	1	108.9340	0.000	1	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CSiCH)	108.6710	0.000	1	108.6710	0.000	1	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CN[6]HH)(CSiHH)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CN[6]HH)(CSiHH)(H)2	H(CSiCH)	108.8640	0.016	2	108.8640	0.000	2	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CC3)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CC3)(H)2	H(CSiCH)	109.0335	0.046	2	109.0335	0.002	2	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.2539	0.468	20	108.2539	0.219	20	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	108.1595	0.386	8	108.1595	0.149	8	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHO)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHO)(H)2	H(CSiCH)	108.5625	0.153	6	108.5625	0.023	6	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHS)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHS)(H)2	H(CSiCH)	108.6679	0.430	8	108.6679	0.185	8	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CN[5]HH)(CSiHH)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CN[5]HH)(CSiHH)(H)2	H(CSiCH)	108.3718	0.771	6	108.3718	0.594	6	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	H(CSiCH)	108.3193	0.465	6	108.3193	0.216	6	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CC3)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(CC3)(H)2	H(CSiCH)	108.7424	0.334	32	108.7424	0.112	32	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.5308	0.539	38	108.5308	0.290	38	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CF3)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(CF3)(H)2	H(CSiCH)	108.8911	0.497	14	108.8911	0.247	14	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHI)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHI)(H)2	H(CSiCH)	108.4617	0.204	8	108.4617	0.041	8	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	108.7901	0.577	8	108.7901	0.333	8	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHS)(H)2	H(CSiCH)	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHS)(H)2	H(CSiCH)	108.8798	0.178	10	108.8798	0.032	10	108.5873	0.234	170	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(SiC3)(H)2	C(CSiHH)(NCHH)(H)2	H(CSiCH)	C(CHHN)(SiC3)(H)2	C(CSiHH)(NCHH)(H)2	H(CSiCH)	107.8490	0.059	2	107.8490	0.004	2	107.8490	0.004	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(SiC3)(H)2	C(CSiHH)(SNOO)(H)2	H(CSiCH)	C(CHHS)(SiC3)(H)2	C(CSiHH)(SNOO)(H)2	H(CSiCH)	109.1337	0.332	6	109.1337	0.110	6	109.1337	0.110	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	H(CSiCH)	C(CSiHH)(SiC3)(H)2	C(CSiHH)(SiC3)(H)2	H(CSiCH)	107.9331	1.018	24	107.9331	1.036	24	108.4310	2.097	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(SiCCO)(H)2	C(CSiHH)(SiCCO)(H)2	H(CSiCH)	C(CSiHH)(SiCCO)(H)2	C(CSiHH)(SiCCO)(H)2	H(CSiCH)	108.8238	0.124	9	108.8238	0.015	9	108.4310	2.097	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(SiCl3)(H)2	C(CSiHH)(SiCl3)(H)2	H(CSiCH)	C(CSiHH)(SiCl3)(H)2	C(CSiHH)(SiCl3)(H)2	H(CSiCH)	112.6385	2.146	2	112.6385	4.606	2	108.4310	2.097	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(SiC3)(H)2	C(C[5]C[5]N[5]H)(CSiHH)(H)2	H(CSiCH)	C(CC[5]HH)(SiC3)(H)2	C(C[5]C[5]N[5]H)(CSiHH)(H)2	H(CSiCH)	108.5935	0.019	2	108.5935	0.000	2	108.5935	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(SiC3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	H(CSiCH)	C(CC[6,6]HH)(SiC3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	H(CSiCH)	107.8490	0.020	2	107.8490	0.000	2	107.8490	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(SiO3)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	H(CSiCH)	C(CHHP)(SiO3)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	H(CSiCH)	109.0060	0.048	2	109.0060	0.002	2	109.0060	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(SiC3)(H)2	C(SC[5a]OO)(CSiHH)(H)2	H(CSiCH)	C(CHHS)(SiC3)(H)2	C(SC[5a]OO)(CSiHH)(H)2	H(CSiCH)	108.6960	0.000	1	108.6960	0.000	1	109.2633	0.560	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(SiC3)(H)2	C(SN[3]OO)(CSiHH)(H)2	H(CSiCH)	C(CHHS)(SiC3)(H)2	C(SN[3]OO)(CSiHH)(H)2	H(CSiCH)	109.3578	0.773	6	109.3578	0.597	6	109.2633	0.560	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(SiC3)(H)2	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	H(CSiCH)	C(CSiHH)(SiC3)(H)2	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	H(CSiCH)	108.2525	0.005	2	108.2525	0.000	2	109.0998	1.043	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(SiCCN)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	H(CSiCH)	C(CSiHH)(SiCCN)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	H(CSiCH)	110.0920	1.415	6	110.0920	2.003	6	109.0998	1.043	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(SiCCO)(H)2	C(SiC[5]CO)(CSiHH)(H)2	H(CSiCH)	C(CSiHH)(SiCCO)(H)2	C(SiC[5]CO)(CSiHH)(H)2	H(CSiCH)	108.4310	0.139	7	108.4310	0.019	7	109.0998	1.043	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(SiCOO)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	H(CSiCH)	C(CSiHH)(SiCOO)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	H(CSiCH)	108.9245	0.008	2	108.9245	0.000	2	109.0998	1.043	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(SiF3)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	H(CSiCH)	C(CSiHH)(SiF3)(H)2	C(SiC[6a]2C)(CSiHH)(H)2	H(CSiCH)	109.2930	0.137	4	109.2930	0.019	4	109.0998	1.043	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:Si-4:H-1:H-1:	Si[3]-4:C-4:H-1:H-1:	C-4:	C(CSi[3]HH)(SiSi3)(H)2	C(Si[3]C[3]2N)(CSiHH)(H)2	H(CSiCH)	C(CSi[3]HH)(SiSi3)(H)2	C(Si[3]C[3]2N)(CSiHH)(H)2	H(CSiCH)	108.7115	0.016	2	108.7115	0.000	2	108.7115	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,3,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	C(CC[3,3,6]HH)(CH3)(H)2	H(CC[3,3,6]CH)	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	C(CC[3,3,6]HH)(CH3)(H)2	H(CC[3,3,6]CH)	108.6245	0.016	2	108.6245	0.000	2	108.6245	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	C(CC[3,5,6]HH)(CCHH)(H)2	H(CC[3,5,6]CH)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	C(CC[3,5,6]HH)(CCHH)(H)2	H(CC[3,5,6]CH)	111.5310	2.069	2	111.5310	4.281	2	111.5310	4.281	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(H)2	H(CC[3,5]CH)	108.8100	0.007	2	108.8100	0.000	2	108.8217	0.227	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(CC[3,5]HH)(CC[6]CH)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(CC[3,5]HH)(CC[6]CH)(H)2	H(CC[3,5]CH)	109.3153	0.234	4	109.3153	0.055	4	108.8217	0.227	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5,6]C[3])(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5,6]C[3])(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(H)2	H(CC[3,5]CH)	108.2915	0.076	4	108.2915	0.006	4	108.8217	0.227	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CC[3,5]HH)(CCCH)(H)2	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CC[3,5]HH)(CCCH)(H)2	H(CC[3,5]CH)	108.8783	0.468	3	108.8783	0.219	3	108.8217	0.227	13	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CC[3,6]CH)	108.6083	0.556	6	108.6083	0.309	6	108.8414	0.407	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	H(CC[3,6]CH)	109.5405	0.025	2	109.5405	0.001	2	108.8414	0.407	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	H(CC[3,6]CH)	107.4595	0.012	2	107.4595	0.000	2	107.4595	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	C(CC[3]ClH)(CH3)(H)2	H(CC[3]ClC)	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	C(CC[3]ClH)(CH3)(H)2	H(CC[3]ClC)	109.4070	0.692	3	109.4070	0.479	3	109.4070	0.479	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CClCH)(H)2	C(CC[3]HH)(CH3)(Cl)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CClCH)(H)2	C(CC[3]HH)(CH3)(Cl)(H)	H(CC[3]CH)	107.8575	0.704	2	107.8575	0.495	2	107.8575	0.495	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.7040	0.014	2	108.7040	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	109.0860	0.024	2	109.0860	0.001	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	109.0560	0.555	11	109.0560	0.308	11	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(CC[3]HH)2(H)2	H(CC[3]CH)	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(CC[3]HH)2(H)2	H(CC[3]CH)	107.3722	0.057	6	107.3722	0.003	6	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,5]2H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,5]2H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.6132	0.120	4	108.6132	0.014	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,5]2H)(CCHH)(H)2	C(CC[6a]HH)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3,5]2H)(CCHH)(H)2	C(CC[6a]HH)(CC[3]HH)(H)2	H(CC[3]CH)	108.5240	0.154	2	108.5240	0.024	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.7240	0.030	2	108.7240	0.001	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	109.0123	0.456	75	109.0123	0.208	75	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.6538	1.139	8	108.6538	1.298	8	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CC3)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CC3)(H)2	H(CC[3]CH)	108.8373	0.123	7	108.8373	0.015	7	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCCO)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCCO)(H)2	H(CC[3]CH)	108.1442	0.030	4	108.1442	0.001	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.5002	0.477	9	108.5002	0.227	9	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CH3)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CH3)(H)2	H(CC[3]CH)	108.2550	0.908	2	108.2550	0.824	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C[6])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]2C[6])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	109.4073	1.029	4	109.4073	1.058	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCCO)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCCO)(H)2	H(CC[3]CH)	109.1943	0.358	7	109.1943	0.128	7	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.8812	0.272	12	108.8812	0.074	12	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCHO)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCHO)(H)2	H(CC[3]CH)	108.9630	0.008	2	108.9630	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[3]CH)	109.1225	0.029	2	109.1225	0.001	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CO)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CO)(H)2	H(CC[3]CH)	107.9849	1.190	8	107.9849	1.415	8	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CHHN)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CHHN)(H)2	H(CC[3]CH)	109.1420	0.006	2	109.1420	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2N[6])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]2N[6])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	107.5157	0.596	3	107.5157	0.356	3	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]2O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.2157	0.440	4	108.2157	0.194	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	109.4963	1.124	6	109.4963	1.263	6	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]N[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]N[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.9317	0.660	4	108.9317	0.435	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.8377	0.900	4	108.8377	0.810	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3,5]CH)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3,5]CH)(CC[3]HH)(H)2	H(CC[3]CH)	105.5148	18.321	4	105.5148	335.665	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCCH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCCH)(H)2	H(CC[3]CH)	108.3660	0.017	2	108.3660	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.7150	0.314	14	108.7150	0.099	14	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHO)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CCHO)(H)2	H(CC[3]CH)	108.9755	0.015	2	108.9755	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[3]CH)	108.5470	0.008	2	108.5470	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CH3)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CH3)(H)2	H(CC[3]CH)	109.0191	0.308	20	109.0191	0.095	20	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CPtCH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CPtCH)(H)2	H(CC[3]CH)	108.8345	0.111	2	108.8345	0.012	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CBrCH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CBrCH)(H)2	H(CC[3]CH)	109.0648	0.069	4	109.0648	0.005	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCCH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCCH)(H)2	H(CC[3]CH)	108.4800	0.031	2	108.4800	0.001	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	109.1524	0.514	22	109.1524	0.264	22	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHO)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CCHO)(H)2	H(CC[3]CH)	109.0605	0.008	2	109.0605	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[4]CN)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[4]CN)(H)2	H(CC[3]CH)	109.1310	0.000	1	109.1310	0.000	1	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[3]CH)	107.9810	0.018	2	107.9810	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[6]CC)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[6]CC)(H)2	H(CC[3]CH)	107.9862	2.183	8	107.9862	4.766	8	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CHHO)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CHHO)(H)2	H(CC[3]CH)	108.8245	0.559	4	108.8245	0.312	4	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]N[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	C(C[3]N[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	H(CC[3]CH)	108.5050	0.004	2	108.5050	0.000	2	108.7692	4.222	285	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	H(CC[3]CH)	108.7865	0.381	4	108.7865	0.145	4	109.0128	0.171	110	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	108.7722	0.690	4	108.7722	0.477	4	109.0128	0.171	110	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[3]HH)(H)2	H(CC[3]CH)	108.5627	0.212	4	108.5627	0.045	4	109.0128	0.171	110	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	108.8424	0.225	48	108.8424	0.051	48	109.0128	0.171	110	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	H(CC[3]CH)	108.3680	0.446	3	108.3680	0.199	3	109.0128	0.171	110	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	H(CC[3]CH)	109.3061	0.360	47	109.3061	0.130	47	109.0128	0.171	110	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[3]HH)(H)2	H(CC[3]CH)	108.9420	0.083	4	108.9420	0.007	4	108.9692	0.006	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[3]HH)(H)2	H(CC[3]CH)	109.0235	0.011	2	109.0235	0.000	2	108.9692	0.006	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	H(CC[3]CH)	108.3803	0.440	3	108.3803	0.194	3	108.3803	0.194	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(CC[3]CH)	107.6492	0.335	16	107.6492	0.112	16	108.4039	0.688	36	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	H(CC[3]CH)	109.7665	0.171	4	109.7665	0.029	4	108.4039	0.688	36	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	H(CC[3]CH)	108.9295	0.163	6	108.9295	0.026	6	108.4039	0.688	36	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[3]HH)(H)2	H(CC[3]CH)	109.2578	0.091	4	109.2578	0.008	4	108.4039	0.688	36	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[3]HH)(H)2	H(CC[3]CH)	108.4133	0.460	6	108.4133	0.211	6	108.4039	0.688	36	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	H(CC[3]CH)	107.5100	0.004	2	107.5100	0.000	2	108.6894	0.509	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[3]HH)(H)2	H(CC[3]CH)	108.9775	0.005	2	108.9775	0.000	2	108.6894	0.509	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]2H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	H(CC[3]CH)	109.5330	0.011	2	109.5330	0.000	2	108.6894	0.509	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[3]HH)(H)2	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[3]HH)(H)2	H(CC[3]CH)	108.7132	0.262	4	108.7132	0.069	4	108.6894	0.509	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C(CC[3x5,6,6]HH)(CCHH)(H)2	H(CC[3x5,6,6]CH)	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C(CC[3x5,6,6]HH)(CCHH)(H)2	H(CC[3x5,6,6]CH)	108.1035	0.022	2	108.1035	0.000	2	108.1035	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	C(CC[3x5,6]HH)(CCHH)(H)2	H(CC[3x5,6]CH)	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	C(CC[3x5,6]HH)(CCHH)(H)2	H(CC[3x5,6]CH)	108.0520	0.502	2	108.0520	0.252	2	108.0520	0.252	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	C(CC[3x6]HH)(CHHO)(H)2	H(CC[3x6]CH)	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	C(CC[3x6]HH)(CHHO)(H)2	H(CC[3x6]CH)	107.5807	0.602	3	107.5807	0.363	3	107.8733	2.108	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	C(CC[3x6]HH)(CClHH)(H)2	H(CC[3x6]CH)	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	C(CC[3x6]HH)(CClHH)(H)2	H(CC[3x6]CH)	108.7900	0.027	2	108.7900	0.001	2	107.8733	2.108	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	C(CC[3x6]HH)(CH3)(H)2	H(CC[3x6]CH)	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	C(CC[3x6]HH)(CH3)(H)2	H(CC[3x6]CH)	103.8435	5.044	2	103.8435	25.440	2	107.8733	2.108	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CC[3x6]CH)	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CC[3x6]CH)	107.8120	0.173	6	107.8120	0.030	6	107.8733	2.108	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CC[3x6]CH)	108.1305	0.025	2	108.1305	0.001	2	107.8733	2.108	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CC[3x6]HH)(CH3)(H)2	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CC[3x6]HH)(CH3)(H)2	H(CC[3x6]CH)	108.2201	0.740	12	108.2201	0.547	12	107.8733	2.108	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CC[3x6]CH)	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	C(CC[3x6]HH)(CCHH)(H)2	H(CC[3x6]CH)	108.2729	0.132	7	108.2729	0.017	7	107.8733	2.108	34	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	H(CC[3x6]CH)	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	H(CC[3x6]CH)	109.2980	0.776	2	109.2980	0.603	2	109.2980	0.603	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C[4,5])(CCHH)(H)2	C(CC[4,3x5,6]HH)(CH3)(H)2	H(CC[4,3x5,6]CH)	C(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C[4,5])(CCHH)(H)2	C(CC[4,3x5,6]HH)(CH3)(H)2	H(CC[4,3x5,6]CH)	108.6685	0.015	2	108.6685	0.000	2	108.6685	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	H(CC[4,3x6]CH)	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	H(CC[4,3x6]CH)	107.8155	0.039	2	107.8155	0.002	2	107.8574	0.166	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	H(CC[4,3x6]CH)	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	H(CC[4,3x6]CH)	108.4890	0.021	2	108.4890	0.000	2	107.8574	0.166	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	H(CC[4,3x6]CH)	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	H(CC[4,3x6]CH)	107.5625	0.061	4	107.5625	0.004	4	107.8574	0.166	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	C(CC[4,5]HH)(CH3)(H)2	H(CC[4,5]CH)	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	C(CC[4,5]HH)(CH3)(H)2	H(CC[4,5]CH)	107.5645	1.192	8	107.5645	1.422	8	107.7682	1.290	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	C(CC[4,5]HH)(CCHH)(H)2	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	C(CC[4,5]HH)(CCHH)(H)2	H(CC[4,5]CH)	108.5830	0.014	2	108.5830	0.000	2	107.7682	1.290	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	H(CC[4,6]CH)	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	H(CC[4,6]CH)	107.0040	0.011	2	107.0040	0.000	2	107.7608	0.588	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CC[4,6]HH)(CCHO)(H)2	H(CC[4,6]CH)	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CC[4,6]HH)(CCHO)(H)2	H(CC[4,6]CH)	108.6920	0.014	2	108.6920	0.000	2	107.7608	0.588	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	H(CC[4,6]CH)	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	H(CC[4,6]CH)	107.5865	0.018	2	107.5865	0.000	2	107.7608	0.588	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.7390	0.182	9	108.7390	0.033	9	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.1830	0.042	2	108.1830	0.002	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CC[4]HH)(CCHO)(H)2	H(CC[4]CH)	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CC[4]HH)(CCHO)(H)2	H(CC[4]CH)	109.3620	0.024	2	109.3620	0.001	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	108.9110	0.006	2	108.9110	0.000	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	109.1515	0.711	2	109.1515	0.505	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	109.2452	1.364	10	109.2452	1.860	10	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CC[4]CH)	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CC[4]CH)	108.9338	0.038	5	108.9338	0.001	5	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CHHO)(H)2	H(CC[4]CH)	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CHHO)(H)2	H(CC[4]CH)	109.1620	0.033	2	109.1620	0.001	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	110.7545	1.132	8	110.7545	1.282	8	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	106.6070	0.006	2	106.6070	0.000	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	108.6663	0.158	4	108.6663	0.025	4	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.6655	0.037	2	108.6655	0.001	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	107.5659	0.259	7	107.5659	0.067	7	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.2972	0.956	4	108.2972	0.914	4	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2C)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4]2C)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.1630	0.045	2	108.1630	0.002	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2Co)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CC[4]CH)	C(C[4]C[4]2Co)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	H(CC[4]CH)	108.3660	0.425	14	108.3660	0.181	14	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2Co)(CCHH)(H)2	C(CC[4]HH)2(H)2	H(CC[4]CH)	C(C[4]C[4]2Co)(CCHH)(H)2	C(CC[4]HH)2(H)2	H(CC[4]CH)	109.0059	1.755	38	109.0059	3.080	38	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.7039	0.346	35	108.7039	0.120	35	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CC[5]CO)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CC[5]CO)(H)2	H(CC[4]CH)	109.5165	0.005	2	109.5165	0.000	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[6a]HO)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[6a]HO)(CC[4]HH)(H)2	H(CC[4]CH)	108.9184	0.211	10	108.9184	0.045	10	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2Ni)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4]2Ni)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	108.9708	0.253	6	108.9708	0.064	6	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4]2O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.6281	0.213	16	108.6281	0.046	16	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2Si)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4]2Si)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.0800	0.000	1	108.0800	0.000	1	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.5462	0.258	26	108.5462	0.066	26	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	108.3415	0.186	4	108.3415	0.035	4	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]O[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[4]O[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.7488	0.213	4	108.7488	0.045	4	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]O[4]H)(CCHH)(H)2	C(CC[4]HH)(CC[5]CH)(H)2	H(CC[4]CH)	C(C[4]C[4]O[4]H)(CCHH)(H)2	C(CC[4]HH)(CC[5]CH)(H)2	H(CC[4]CH)	109.6340	0.000	1	109.6340	0.000	1	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]S[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4]S[4]H)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	109.2715	0.028	2	109.2715	0.001	2	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CC[4]HH)(CCFF)(H)2	H(CC[4]CH)	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CC[4]HH)(CCFF)(H)2	H(CC[4]CH)	107.8530	0.102	4	107.8530	0.010	4	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.8641	0.437	7	108.8641	0.191	7	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	H(CC[4]CH)	108.3563	0.389	7	108.3563	0.151	7	108.7578	0.952	240	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CHHN)(H)2	C(CC[4]HH)(NCHH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CHHN)(H)2	C(CC[4]HH)(NCHH)(H)2	H(CC[4]CH)	109.5255	0.021	2	109.5255	0.000	2	109.5255	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CC[3]HH)(H)2	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CC[3]HH)(H)2	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	H(CC[4]CH)	108.2705	0.223	4	108.2705	0.050	4	108.1290	0.078	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	H(CC[4]CH)	107.8460	0.010	2	107.8460	0.000	2	108.1290	0.078	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[4]HH)(H)2	H(CC[4]CH)	108.5432	0.107	12	108.5432	0.011	12	108.5432	0.011	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CC[4]HH)(H)2	H(CC[4]CH)	109.3025	0.084	4	109.3025	0.007	4	109.3025	0.007	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6,6]C[4]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4,6,6]C[4]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	H(CC[4]CH)	107.2130	0.163	2	107.2130	0.026	2	107.7770	0.480	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[4]HH)(H)2	H(CC[4]CH)	109.2290	0.016	2	109.2290	0.000	2	107.7770	0.480	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]2H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	H(CC[4]CH)	107.7029	0.637	35	107.7029	0.405	35	107.7770	0.480	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]O[4]C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	H(CC[4]CH)	C(C[4]C[4]O[4]C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	H(CC[4]CH)	108.1850	0.051	2	108.1850	0.003	2	107.7770	0.480	41	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[4x5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C(CC[4x5,6]HH)(CHHN)(H)2	H(CC[4x5,6]CH)	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C(CC[4x5,6]HH)(CHHN)(H)2	H(CC[4x5,6]CH)	107.1900	0.006	2	107.1900	0.000	2	107.1900	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[6]HH)(H)2	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[6]HH)(H)2	H(CC[5,3x6]CH)	108.0712	0.074	4	108.0712	0.005	4	107.3661	0.257	14	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C(CC[5,3x6]HH)(CHHN)(H)2	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C(CC[5,3x6]HH)(CHHN)(H)2	H(CC[5,3x6]CH)	107.1813	0.152	8	107.1813	0.023	8	107.3661	0.257	14	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	C(CC[5,3x6]HH)(CN[5]HH)(H)2	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	C(CC[5,3x6]HH)(CN[5]HH)(H)2	H(CC[5,3x6]CH)	106.6950	0.023	2	106.6950	0.001	2	107.3661	0.257	14	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	C(CC[5,5,3x6]HH)(CHHN)(H)2	H(CC[5,5,3x6]CH)	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	C(CC[5,5,3x6]HH)(CHHN)(H)2	H(CC[5,5,3x6]CH)	107.9395	0.049	2	107.9395	0.002	2	107.9395	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	C(CC[5,5,6,6]HH)(CHHN)(H)2	H(CC[5,5,6,6]CH)	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	C(CC[5,5,6,6]HH)(CHHN)(H)2	H(CC[5,5,6,6]CH)	110.0580	0.800	2	110.0580	0.641	2	110.0580	0.641	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C(CC[5,5,6]HH)(CH3)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C(CC[5,5,6]HH)(CH3)(H)2	H(CC[5,5,6]CH)	108.1930	0.000	1	108.1930	0.000	1	108.1826	0.008	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	H(CC[5,5,6]CH)	108.1790	0.014	2	108.1790	0.000	2	108.1826	0.008	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	H(CC[5,5,6]CH)	108.1810	0.178	2	108.1810	0.032	2	108.1826	0.008	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C[5]-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	H(CC[5,5,6]CH)	108.6830	0.013	2	108.6830	0.000	2	108.6830	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	107.8830	0.088	4	107.8830	0.008	4	107.8830	0.008	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	108.3470	0.048	2	108.3470	0.002	2	108.3470	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	H(CC[5,5,6]CH)	107.6175	0.021	4	107.6175	0.000	4	107.6175	0.000	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	107.6850	0.000	1	107.6850	0.000	1	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	108.8145	0.023	2	108.8145	0.001	2	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	108.4615	0.029	2	108.4615	0.001	2	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(CC[5,5]HH)(CC[6a]HH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(CC[5,5]HH)(CC[6a]HH)(H)2	H(CC[5,5]CH)	108.2470	0.000	1	108.2470	0.000	1	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	C(CC[5,5]HH)(CC3)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	C(CC[5,5]HH)(CC3)(H)2	H(CC[5,5]CH)	108.5095	0.005	2	108.5095	0.000	2	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	108.0140	0.034	2	108.0140	0.001	2	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CC[6]CH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CC[6]CH)(H)2	H(CC[5,5]CH)	108.5610	0.074	2	108.5610	0.005	2	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CH3)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CH3)(H)2	H(CC[5,5]CH)	108.7688	0.077	13	108.7688	0.006	13	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C(CC[5,5]HH)(CCCH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C(CC[5,5]HH)(CCCH)(H)2	H(CC[5,5]CH)	107.8030	0.020	2	107.8030	0.000	2	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	H(CC[5,5]CH)	108.7635	0.022	2	108.7635	0.000	2	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C(CC[5,5]HH)(CH3)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C(CC[5,5]HH)(CH3)(H)2	H(CC[5,5]CH)	107.8204	0.313	27	107.8204	0.098	27	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CH3)(H)2	H(CC[5,5]CH)	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CH3)(H)2	H(CC[5,5]CH)	108.6328	0.842	5	108.6328	0.709	5	108.2310	0.285	61	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	H(CC[5,5]CH)	108.7340	0.031	2	108.7340	0.001	2	108.7340	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5,5]HH)(H)2	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5,5]HH)(H)2	H(CC[5,5]CH)	109.2025	0.056	2	109.2025	0.003	2	109.2025	0.003	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	C(CC[5,6,6]HH)(CH3)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	C(CC[5,6,6]HH)(CH3)(H)2	H(CC[5,6,6]CH)	108.8780	0.000	1	108.8780	0.000	1	108.2628	3.930	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	C(CC[5,6,6]HH)(CCHH)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	C(CC[5,6,6]HH)(CCHH)(H)2	H(CC[5,6,6]CH)	107.9695	0.066	2	107.9695	0.004	2	108.2628	3.930	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	C(CC[5,6,6]HH)(CHHN)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	C(CC[5,6,6]HH)(CHHN)(H)2	H(CC[5,6,6]CH)	108.3680	1.394	2	108.3680	1.944	2	108.2628	3.930	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C(CC[5,6,6]HH)(CH3)(H)2	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C(CC[5,6,6]HH)(CH3)(H)2	H(CC[5,6,6]CH)	108.2030	3.104	4	108.2030	9.636	4	108.2628	3.930	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	108.2725	0.026	2	108.2725	0.001	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	108.2855	0.005	2	108.2855	0.000	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	108.1457	0.056	4	108.1457	0.003	4	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	109.7180	0.314	2	109.7180	0.099	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	108.7182	0.139	8	108.7182	0.019	8	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	108.8230	0.008	2	108.8230	0.000	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CC[5,6]CH)	107.8810	1.150	4	107.8810	1.323	4	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	107.9890	1.632	4	107.9890	2.662	4	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	C(CC[5,6]HH)(CH3)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	C(CC[5,6]HH)(CH3)(H)2	H(CC[5,6]CH)	108.4725	0.032	2	108.4725	0.001	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C(CC[5,6]HH)(CN[6]HH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C(CC[5,6]HH)(CN[6]HH)(H)2	H(CC[5,6]CH)	108.0000	0.021	2	108.0000	0.000	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2O)(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]2O)(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	108.5540	0.008	2	108.5540	0.000	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	107.5628	1.556	6	107.5628	2.422	6	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	H(CC[5,6]CH)	109.7020	3.596	14	109.7020	12.932	14	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	104.0700	5.094	2	104.0700	25.949	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	108.2325	0.064	2	108.2325	0.004	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CH3)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CH3)(H)2	H(CC[5,6]CH)	108.8155	0.040	6	108.8155	0.002	6	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	H(CC[5,6]CH)	107.9265	0.018	2	107.9265	0.000	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	109.0598	0.069	4	109.0598	0.005	4	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CH3)(H)2	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CC[5,6]HH)(CH3)(H)2	H(CC[5,6]CH)	108.4713	0.033	3	108.4713	0.001	3	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	H(CC[5,6]CH)	108.2060	0.057	2	108.2060	0.003	2	108.5157	3.964	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	108.1327	0.074	3	108.1327	0.005	3	108.1327	0.005	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	108.5156	0.438	18	108.5156	0.191	18	108.5156	0.191	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	108.1842	0.291	5	108.1842	0.085	5	108.1842	0.085	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	H(CC[5,6]CH)	106.7005	0.773	2	106.7005	0.597	2	106.7005	0.597	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(Br)(H)	C(CC[5]BrH)(CH3)(H)2	H(CC[5]BrC)	C(C[5]C[5]2H)(CCHH)(Br)(H)	C(CC[5]BrH)(CH3)(H)2	H(CC[5]BrC)	108.5340	0.000	1	108.5340	0.000	1	107.9213	0.338	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CC[5]BrH)(CCCH)(H)2	H(CC[5]BrC)	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CC[5]BrH)(CCCH)(H)2	H(CC[5]BrC)	107.5090	0.000	1	107.5090	0.000	1	107.9213	0.338	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	H(CC[5]BrC)	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	H(CC[5]BrC)	107.7400	0.000	1	107.7400	0.000	1	107.9213	0.338	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	H(CC[5]BrC)	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	H(CC[5]BrC)	108.2380	0.000	1	108.2380	0.000	1	107.9213	0.338	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CH3)(H)2	H(CC[5]BrC)	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CH3)(H)2	H(CC[5]BrC)	108.3377	0.370	3	108.3377	0.137	3	107.9213	0.338	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	H(CC[5]BrC)	107.3930	0.604	3	107.3930	0.364	3	107.9213	0.338	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	C(CC[5]ClH)(CC[5]CH)(H)2	H(CC[5]ClC)	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	C(CC[5]ClH)(CC[5]CH)(H)2	H(CC[5]ClC)	107.2950	0.393	3	107.2950	0.155	3	107.4759	0.270	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CC[5]ClH)(CCHH)(H)2	H(CC[5]ClC)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CC[5]ClH)(CCHH)(H)2	H(CC[5]ClC)	106.9750	0.000	1	106.9750	0.000	1	107.4759	0.270	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CC[5]ClH)(CH3)(H)2	H(CC[5]ClC)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CC[5]ClH)(CH3)(H)2	H(CC[5]ClC)	107.5615	0.429	2	107.5615	0.184	2	107.4759	0.270	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	C(CC[5]ClH)(CCHH)(H)2	H(CC[5]ClC)	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	C(CC[5]ClH)(CCHH)(H)2	H(CC[5]ClC)	108.3480	0.000	1	108.3480	0.000	1	107.4759	0.270	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:F-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[5]C[5]2Fe)(CCFF)(F)(H)	C(CC[5]FH)(CCFF)(F)2	H(CC[5]CF)	C(C[5]C[5]2Fe)(CCFF)(F)(H)	C(CC[5]FH)(CCFF)(F)2	H(CC[5]CF)	107.8857	1.687	3	107.8857	2.847	3	107.8857	2.847	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CBHH)(H)2	C(BC[6a]2C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CBHH)(H)2	C(BC[6a]2C)(CC[5]HH)(H)2	H(CC[5]CH)	108.8172	0.191	5	108.8172	0.037	5	108.7214	0.051	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CBHH)(H)2	C(BC[6a]2N[6])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CBHH)(H)2	C(BC[6a]2N[6])(CC[5]HH)(H)2	H(CC[5]CH)	108.4820	0.037	2	108.4820	0.001	2	108.7214	0.051	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CClCH)(H)2	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CClCH)(H)2	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	H(CC[5]CH)	108.6620	0.013	2	108.6620	0.000	2	108.6620	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[5]C[5]2H)(CCFF)(H)2	C(CC[5]HH)(CCFF)(F)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCFF)(H)2	C(CC[5]HH)(CCFF)(F)2	H(CC[5]CH)	108.7300	0.057	2	108.7300	0.003	2	108.6658	0.007	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[5]C[5]N[5]H)(CCFF)(H)2	C(CC[5]HH)(CF3)(F)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCFF)(H)2	C(CC[5]HH)(CF3)(F)2	H(CC[5]CH)	108.6015	0.009	2	108.6015	0.000	2	108.6658	0.007	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2045	0.088	2	108.2045	0.008	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.0300	0.000	1	108.0300	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[5]CH)	107.7260	0.023	2	107.7260	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2715	0.042	2	108.2715	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.0685	1.105	16	108.0685	1.222	16	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	109.6490	0.041	2	109.6490	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.2216	1.304	12	109.2216	1.699	12	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HS)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HS)(H)2	H(CC[5]CH)	108.2047	0.053	3	108.2047	0.003	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CC3)(H)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CC3)(H)2	H(CC[5]CH)	108.2805	0.087	2	108.2805	0.008	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.1559	0.379	7	109.1559	0.143	7	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	108.3740	0.011	2	108.3740	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6447	0.421	13	108.6447	0.177	13	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.3200	0.188	27	108.3200	0.035	27	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.5330	0.421	2	108.5330	0.178	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CC[5]CH)	108.7725	0.177	8	108.7725	0.031	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CC[5]CH)	108.5190	0.123	2	108.5190	0.015	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	107.8585	0.050	2	107.8585	0.003	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.3083	0.104	8	108.3083	0.011	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CC[5]CH)	108.7210	0.048	2	108.7210	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.0657	1.165	12	109.0657	1.357	12	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	109.3820	0.068	2	109.3820	0.005	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	109.3196	3.021	8	109.3196	9.126	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	C(CC[5]HH)(CNiCH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ni)(CCHH)(H)2	C(CC[5]HH)(CNiCH)(H)2	H(CC[5]CH)	110.3517	0.046	3	110.3517	0.002	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	H(CC[5]CH)	108.3675	0.005	2	108.3675	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6555	0.008	2	108.6555	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	108.4717	0.080	3	108.4717	0.006	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2845	0.194	4	108.2845	0.037	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	107.9927	0.559	11	107.9927	0.312	11	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.8164	0.339	13	108.8164	0.115	13	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.4484	1.182	151	108.4484	1.396	151	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	109.1306	1.243	28	109.1306	1.546	28	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.4940	0.000	1	108.4940	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.5637	0.059	4	108.5637	0.003	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.7175	0.019	2	108.7175	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.0905	0.078	2	108.0905	0.006	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.9955	0.015	2	108.9955	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCFF)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCFF)(H)2	H(CC[5]CH)	109.0095	0.055	4	109.0095	0.003	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.3355	0.036	2	108.3355	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.4282	0.211	4	108.4282	0.044	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.7306	0.175	14	108.7306	0.031	14	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	108.5440	0.000	1	108.5440	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.4120	0.000	1	108.4120	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.1465	0.045	2	108.1465	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	112.3208	2.593	4	112.3208	6.726	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	109.4795	0.320	2	109.4795	0.103	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[5]CH)	108.6460	0.000	1	108.6460	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2032	0.381	28	108.2032	0.145	28	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	108.3390	0.045	2	108.3390	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.1170	0.027	2	108.1170	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	108.3800	0.042	2	108.3800	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Co)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Co)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.8130	0.051	3	108.8130	0.003	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Co)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	C(C[5]C[5]2Co)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	108.5445	0.095	4	108.5445	0.009	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CH)	108.2763	0.316	3	108.2763	0.100	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	H(CC[5]CH)	108.6188	1.009	4	108.6188	1.018	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.8037	1.163	44	108.8037	1.352	44	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	108.9240	0.000	1	108.9240	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CH)	108.6520	0.068	18	108.6520	0.005	18	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.9870	0.313	21	108.9870	0.098	21	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	109.2402	0.095	5	109.2402	0.009	5	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	108.1220	0.034	2	108.1220	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	108.9202	0.643	4	108.9202	0.413	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	H(CC[5]CH)	108.6150	0.057	2	108.6150	0.003	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5,5,6]CO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5,5,6]CO)(CC[5]HH)(H)2	H(CC[5]CH)	108.3315	0.036	2	108.3315	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5,5]CO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5,5]CO)(CC[5]HH)(H)2	H(CC[5]CH)	107.8570	0.021	2	107.8570	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CH)	108.5910	0.402	8	108.5910	0.162	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	H(CC[5]CH)	108.6772	0.169	10	108.6772	0.028	10	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	108.8096	0.458	8	108.8096	0.210	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	H(CC[5]CH)	108.3720	0.010	2	108.3720	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.3499	0.726	50	108.3499	0.526	50	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	108.7052	0.096	6	108.7052	0.009	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CH)	108.2685	0.009	2	108.2685	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[6]CH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[6]CH)(H)2	H(CC[5]CH)	108.9483	0.103	6	108.9483	0.011	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.7773	0.277	21	108.7773	0.077	21	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	108.5110	0.004	2	108.5110	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.3348	0.288	6	109.3348	0.083	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	109.5277	0.298	4	109.5277	0.089	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	108.2364	0.794	8	108.2364	0.631	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	109.0855	0.213	2	109.0855	0.045	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	109.7062	0.309	4	109.7062	0.096	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Lu)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Lu)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.6331	0.174	8	108.6331	0.030	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ni)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	C(C[5]C[5]2Ni)(CCHH)(H)2	C(CC[5]HH)2(H)2	H(CC[5]CH)	108.3943	0.039	3	108.3943	0.002	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.0493	0.524	10	108.0493	0.275	10	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.0075	0.022	2	108.0075	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.3472	1.517	6	108.3472	2.301	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.5896	0.717	16	109.5896	0.514	16	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	109.1907	0.227	23	109.1907	0.052	23	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	108.0682	0.770	10	108.0682	0.594	10	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	109.3220	0.013	2	109.3220	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ru)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.9465	0.032	2	108.9465	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CCHH)(H)2	C(CC[5]HH)(CHHS)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ru)(CCHH)(H)2	C(CC[5]HH)(CHHS)(H)2	H(CC[5]CH)	108.2640	0.020	2	108.2640	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Sm)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Sm)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	109.1225	0.106	4	109.1225	0.011	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.1305	0.021	2	109.1305	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	108.4195	0.006	2	108.4195	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CC[5]HH)(CTiHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CC[5]HH)(CTiHH)(H)2	H(CC[5]CH)	110.6120	0.021	2	110.6120	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2W)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2W)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.5965	0.005	2	108.5965	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Zn)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	C(C[5]C[5]2Zn)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CC[5]CH)	108.4235	0.662	4	108.4235	0.438	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	H(CC[5]CH)	108.6300	0.786	4	108.6300	0.617	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.1933	0.619	3	109.1933	0.383	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CC[5]HH)(CF3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CC[5]HH)(CF3)(H)2	H(CC[5]CH)	109.3010	0.017	2	109.3010	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.1075	0.296	30	108.1075	0.088	30	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	108.1055	0.207	13	108.1055	0.043	13	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	107.5894	6.424	27	107.5894	41.271	27	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHI)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHI)(H)2	H(CC[5]CH)	107.8547	0.596	3	107.8547	0.355	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CH)	108.4322	0.075	4	108.4322	0.006	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[5]CH)	111.3010	0.025	2	111.3010	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCl3)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCl3)(H)2	H(CC[5]CH)	108.5915	0.039	2	108.5915	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	107.8515	0.415	2	107.8515	0.172	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	H(CC[5]CH)	109.4592	2.208	6	109.4592	4.875	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	108.7160	0.008	2	108.7160	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6757	0.994	19	108.6757	0.987	19	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.8991	0.331	13	108.8991	0.109	13	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.7645	0.513	14	108.7645	0.263	14	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHO)(H)2	H(CC[5]CH)	109.1398	0.332	6	109.1398	0.110	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.9120	0.561	6	108.9120	0.315	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	109.2775	0.689	6	109.2775	0.474	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	H(CC[5]CH)	108.7860	0.034	4	108.7860	0.001	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]N)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]N)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	H(CC[5]CH)	108.4660	0.024	2	108.4660	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.0873	0.919	10	109.0873	0.845	10	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CC[6]CH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CC[6]CH)(H)2	H(CC[5]CH)	108.2850	0.000	1	108.2850	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CClCH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CClCH)(H)2	H(CC[5]CH)	108.8185	0.090	2	108.8185	0.008	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.9675	0.216	20	108.9675	0.047	20	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	107.5862	0.506	20	107.5862	0.256	20	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.8782	0.033	4	108.8782	0.001	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]S[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6588	0.930	5	108.6588	0.865	5	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.3120	0.047	2	108.3120	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6436	0.344	17	108.6436	0.118	17	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.2720	0.047	2	108.2720	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.8790	0.098	2	108.8790	0.010	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2227	0.364	3	108.2227	0.132	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.3280	0.028	2	108.3280	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2236	0.336	15	108.2236	0.113	15	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.7390	0.388	6	108.7390	0.151	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	109.0315	0.153	4	109.0315	0.023	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	109.1405	0.040	4	109.1405	0.002	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.9940	0.000	1	108.9940	0.000	1	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.5010	0.207	3	108.5010	0.043	3	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]2H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]N[5]2H)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.6745	0.043	2	108.6745	0.002	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6788	0.392	6	108.6788	0.154	6	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.2720	0.006	2	108.2720	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.8290	0.010	2	108.8290	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.6685	0.021	2	108.6685	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.1615	0.025	2	108.1615	0.001	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	C(C[5]O[5]2C)(CCHH)(H)2	C(CC[5]HH)(CH3)(H)2	H(CC[5]CH)	108.3335	0.048	4	108.3335	0.002	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	C(C[5]O[5]2C)(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	H(CC[5]CH)	108.7000	0.139	4	108.7000	0.019	4	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]O[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.8825	0.015	2	108.8825	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHN)(H)2	H(CC[5]CH)	C(C[5]O[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCHN)(H)2	H(CC[5]CH)	108.3595	0.462	2	108.3595	0.213	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CCHH)(H)2	C(CC[5a]CH)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]O[5]2H)(CCHH)(H)2	C(CC[5a]CH)(CC[5]HH)(H)2	H(CC[5]CH)	109.0095	0.013	2	109.0095	0.000	2	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]S[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	C(C[5]S[5]2C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	H(CC[5]CH)	108.2675	0.180	8	108.2675	0.032	8	108.6117	1.769	1119	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Eu)(CHHN)(H)2	C(CC[5]HH)(NEuCC)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Eu)(CHHN)(H)2	C(CC[5]HH)(NEuCC)(H)2	H(CC[5]CH)	109.1755	0.012	2	109.1755	0.000	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Ti)(CHHN)(H)2	C(CC[5]HH)(NTiCC)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ti)(CHHN)(H)2	C(CC[5]HH)(NTiCC)(H)2	H(CC[5]CH)	109.1525	3.211	2	109.1525	10.310	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHN)(H)2	C(CC[5]HH)(NCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHN)(H)2	C(CC[5]HH)(NCHH)(H)2	H(CC[5]CH)	108.9785	0.022	2	108.9785	0.000	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHN)(H)2	C(CC[5]HH)(NSn2C)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHN)(H)2	C(CC[5]HH)(NSn2C)(H)2	H(CC[5]CH)	108.5230	0.187	4	108.5230	0.035	4	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C(CC[5]HH)(NCHH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C(CC[5]HH)(NCHH)(H)2	H(CC[5]CH)	108.8470	0.030	2	108.8470	0.001	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ba)(CHHN)(H)2	C(CC[5]HH)(NBaCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ba)(CHHN)(H)2	C(CC[5]HH)(NBaCC)(H)2	H(CC[5]CH)	108.3240	0.076	2	108.3240	0.006	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Cr)(CHHN)(H)2	C(CC[5]HH)(NC3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Cr)(CHHN)(H)2	C(CC[5]HH)(NC3)(H)2	H(CC[5]CH)	109.8835	0.040	2	109.8835	0.002	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHN)(H)2	C(CC[5]HH)(NPtHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHN)(H)2	C(CC[5]HH)(NPtHH)(H)2	H(CC[5]CH)	109.1060	0.004	2	109.1060	0.000	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CHHN)(H)2	C(CC[5]HH)(NIrCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CHHN)(H)2	C(CC[5]HH)(NIrCC)(H)2	H(CC[5]CH)	109.5995	0.021	2	109.5995	0.000	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Mo)(CHHN)(H)2	C(CC[5]HH)(NC3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHN)(H)2	C(CC[5]HH)(NC3)(H)2	H(CC[5]CH)	109.9105	0.039	2	109.9105	0.002	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Os)(CHHN)(H)2	C(CC[5]HH)(NOsCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Os)(CHHN)(H)2	C(CC[5]HH)(NOsCH)(H)2	H(CC[5]CH)	110.0275	0.009	2	110.0275	0.000	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhCC)(H)2	H(CC[5]CH)	109.5795	0.553	6	109.5795	0.306	6	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhCH)(H)2	H(CC[5]CH)	108.9900	0.035	2	108.9900	0.001	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhHH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHN)(H)2	C(CC[5]HH)(NRhHH)(H)2	H(CC[5]CH)	109.2300	0.065	4	109.2300	0.004	4	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2V)(CHHN)(H)2	C(CC[5]HH)(NCCV)(H)2	H(CC[5]CH)	C(C[5]C[5]2V)(CHHN)(H)2	C(CC[5]HH)(NCCV)(H)2	H(CC[5]CH)	110.0590	0.027	2	110.0590	0.001	2	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2W)(CHHN)(H)2	C(CC[5]HH)(NC3)(H)2	H(CC[5]CH)	C(C[5]C[5]2W)(CHHN)(H)2	C(CC[5]HH)(NC3)(H)2	H(CC[5]CH)	109.9958	0.104	4	109.9958	0.011	4	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]2Zn)(CHHN)(H)2	C(CC[5]HH)(NZnCC)(H)2	H(CC[5]CH)	C(C[5]C[5]2Zn)(CHHN)(H)2	C(CC[5]HH)(NZnCC)(H)2	H(CC[5]CH)	109.0310	0.000	1	109.0310	0.000	1	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)2	C(CC[5]HH)(NH3)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHN)(H)2	C(CC[5]HH)(NH3)(H)2	H(CC[5]CH)	108.8844	0.833	8	108.8844	0.694	8	109.2683	0.596	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PAuCH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PAuCH)(H)2	H(CC[5]CH)	108.8905	0.383	4	108.8905	0.147	4	109.1474	0.201	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PC3)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PC3)(H)2	H(CC[5]CH)	109.1593	0.100	6	109.1593	0.010	6	109.1474	0.201	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PCCW)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CHHP)(H)2	C(CC[5]HH)(PCCW)(H)2	H(CC[5]CH)	109.2758	0.255	6	109.2758	0.065	6	109.1474	0.201	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHP)(H)2	C(CC[5]HH)(PO3)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CHHP)(H)2	C(CC[5]HH)(PO3)(H)2	H(CC[5]CH)	109.2400	1.489	2	109.2400	2.218	2	109.1474	0.201	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[5]C[5]S[5]H)(CHHS)(H)2	C(CC[5]HH)(SFOO)(H)2	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CHHS)(H)2	C(CC[5]HH)(SFOO)(H)2	H(CC[5]CH)	109.1760	0.028	2	109.1760	0.001	2	109.1760	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CSiHH)(H)2	C(CC[5]HH)(SiC3)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CSiHH)(H)2	C(CC[5]HH)(SiC3)(H)2	H(CC[5]CH)	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	C(C[3]C[3]2C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	C(C[3]C[3]2C)(CC[5]HH)(H)2	H(CC[5]CH)	108.6633	0.293	3	108.6633	0.086	3	108.5526	0.169	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[5]HH)(H)2	H(CC[5]CH)	107.7032	0.036	4	107.7032	0.001	4	108.5526	0.169	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	H(CC[5]CH)	108.6943	0.164	16	108.6943	0.027	16	108.5526	0.169	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	H(CC[5]CH)	108.2720	0.282	6	108.2720	0.079	6	108.5526	0.169	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	C(C[3]C[3]2C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	C(C[3]C[3]2C)(CC[5]HH)(H)2	H(CC[5]CH)	108.9662	0.094	6	108.9662	0.009	6	108.5526	0.169	35	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]O[5]2H)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[5]HH)(H)2	H(CC[5]CH)	108.7120	0.030	4	108.7120	0.001	4	108.7120	0.001	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5,5]HH)(H)2	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5,5]HH)(H)2	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	H(CC[5]CH)	108.5880	0.006	2	108.5880	0.000	2	108.5880	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	H(CC[5]CH)	107.8792	0.379	5	107.8792	0.144	5	107.8792	0.144	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	108.2205	0.023	2	108.2205	0.001	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	107.9070	0.037	3	107.9070	0.001	3	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.5123	0.375	14	108.5123	0.141	14	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.7155	0.011	2	108.7155	0.000	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	108.6912	0.423	9	108.6912	0.179	9	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CC[5]HH)(H)2	H(CC[5]CH)	109.2060	0.000	1	109.2060	0.000	1	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CC[5]HH)(H)2	H(CC[5]CH)	108.7430	0.010	2	108.7430	0.000	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]2Hf)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]2Hf)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	H(CC[5]CH)	109.3612	0.072	6	109.3612	0.005	6	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CC[5]HH)(H)2	H(CC[5]CH)	107.1885	0.008	4	107.1885	0.000	4	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	107.7299	0.071	8	107.7299	0.005	8	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.0880	0.018	2	108.0880	0.000	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	C(C[5]C[5,6]2Hf)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	C(C[5]C[5,6]2Hf)(CC[5]HH)(H)2	H(CC[5]CH)	109.4760	0.093	6	109.4760	0.009	6	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Hf)(CC[5]HH)(H)2	H(CC[5]CH)	108.8090	0.984	6	108.8090	0.967	6	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Sm)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Sm)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Sm)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Sm)(CC[5]HH)(H)2	H(CC[5]CH)	108.1307	0.295	7	108.1307	0.087	7	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Ti)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Ti)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Ti)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Ti)(CC[5]HH)(H)2	H(CC[5]CH)	109.7452	0.034	4	109.7452	0.001	4	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(H)2	H(CC[5]CH)	109.4265	0.760	44	109.4265	0.577	44	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.7515	0.013	2	108.7515	0.000	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C(C[5]O[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	110.6555	0.315	2	110.6555	0.099	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Co)(CC[5]HH)(H)2	C(C[5]C[5]2Co)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Co)(CC[5]HH)(H)2	C(C[5]C[5]2Co)(CC[5]HH)(H)2	H(CC[5]CH)	109.1925	0.087	8	109.1925	0.008	8	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]HH)(H)2	H(CC[5]CH)	109.4582	0.079	4	109.4582	0.006	4	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.9210	0.020	2	108.9210	0.000	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	109.0923	0.331	9	109.0923	0.110	9	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	109.0220	0.290	7	109.0220	0.084	7	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ir)(CC[5]HH)(H)2	C(C[5]C[5]2Ir)(CC[5]HH)(H)2	H(CC[5]CH)	108.9798	0.331	5	108.9798	0.109	5	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.7925	0.046	2	108.7925	0.002	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	108.5300	0.009	4	108.5300	0.000	4	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	C(C[5]C[5]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	108.0162	1.440	4	108.0162	2.072	4	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.9396	0.200	9	108.9396	0.040	9	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	107.8847	0.133	4	107.8847	0.018	4	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	108.2127	0.163	8	108.2127	0.026	8	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	108.7810	0.021	2	108.7810	0.000	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.4048	0.462	16	108.4048	0.214	16	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	H(CC[5]CH)	108.8038	0.458	4	108.8038	0.210	4	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CC[5]HH)(H)2	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]O[5]2C)(CC[5]HH)(H)2	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.8355	0.009	2	108.8355	0.000	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CC[5]HH)(H)2	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]O[5]2H)(CC[5]HH)(H)2	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	H(CC[5]CH)	110.5470	1.338	2	110.5470	1.790	2	108.8444	0.605	216	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.5745	0.025	2	108.5745	0.001	2	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.8065	0.040	2	108.8065	0.002	2	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	H(CC[5]CH)	108.2925	0.032	2	108.2925	0.001	2	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.3473	0.034	3	108.3473	0.001	3	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	H(CC[5]CH)	107.9838	0.262	6	107.9838	0.069	6	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[5]HH)(H)2	H(CC[5]CH)	108.4115	0.028	4	108.4115	0.001	4	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	108.4107	0.052	3	108.4107	0.003	3	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.5850	0.190	4	108.5850	0.036	4	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	H(CC[5]CH)	108.7152	0.181	5	108.7152	0.033	5	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.8847	0.454	3	108.8847	0.206	3	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	109.2405	0.016	2	109.2405	0.000	2	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	H(CC[5]CH)	107.5060	0.000	1	107.5060	0.000	1	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.9345	1.347	2	108.9345	1.815	2	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	H(CC[5]CH)	108.9080	0.101	3	108.9080	0.010	3	108.5314	0.207	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CN[5]HH)(H)2	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CN[5]HH)(H)2	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	107.5440	0.050	4	107.5440	0.002	4	107.2532	0.205	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CN[5]HH)(H)2	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2O)(CN[5]HH)(H)2	C(N[5]C[5]2H)(CC[5]HH)(H)2	H(CC[5]CH)	106.6715	0.018	2	106.6715	0.000	2	107.2532	0.205	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Eu)(CN[6]HH)(H)2	C(N[6]C[6]2Eu)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Eu)(CN[6]HH)(H)2	C(N[6]C[6]2Eu)(CC[5]HH)(H)2	H(CC[5]CH)	108.7570	0.075	2	108.7570	0.006	2	109.1578	0.094	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	C(N[6]C[6]2H)(CC[5]HH)(H)2	H(CC[5]CH)	109.2079	0.287	16	109.2079	0.082	16	109.1578	0.094	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]2H)(CHHP)(H)2	C(PC[6a]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]2H)(CHHP)(H)2	C(PC[6a]2Ru)(CC[5]HH)(H)2	H(CC[5]CH)	108.5200	0.034	2	108.5200	0.001	2	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CC[5]CH)	109.1110	0.000	1	109.1110	0.000	1	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CC[5]HH)(H)2	H(CC[5]CH)	109.0600	0.023	2	109.0600	0.001	2	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Co)(CHHP)(H)2	C(PC[6a]CoC)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Co)(CHHP)(H)2	C(PC[6a]CoC)(CC[5]HH)(H)2	H(CC[5]CH)	109.6960	0.034	2	109.6960	0.001	2	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Cr)(CHHP)(H)2	C(PC[6a]2Cr)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Cr)(CHHP)(H)2	C(PC[6a]2Cr)(CC[5]HH)(H)2	H(CC[5]CH)	109.6705	0.189	4	109.6705	0.036	4	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Cr)(CHHP)(H)2	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Cr)(CHHP)(H)2	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CC[5]CH)	108.7375	0.027	4	108.7375	0.001	4	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Cr)(CHHP)(H)2	C(PC[6a]CrC)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Cr)(CHHP)(H)2	C(PC[6a]CrC)(CC[5]HH)(H)2	H(CC[5]CH)	109.1800	0.062	4	109.1800	0.004	4	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Mo)(CHHP)(H)2	C(PC[6a]2Mo)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHP)(H)2	C(PC[6a]2Mo)(CC[5]HH)(H)2	H(CC[5]CH)	109.6074	0.079	10	109.6074	0.006	10	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Mo)(CHHP)(H)2	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Mo)(CHHP)(H)2	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CC[5]CH)	108.7215	0.025	2	108.7215	0.001	2	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CHHP)(H)2	C(PC[6a]RhC)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2Rh)(CHHP)(H)2	C(PC[6a]RhC)(CC[5]HH)(H)2	H(CC[5]CH)	109.2993	0.125	3	109.2993	0.016	3	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2W)(CHHP)(H)2	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2W)(CHHP)(H)2	C(PC[6a]2Ni)(CC[5]HH)(H)2	H(CC[5]CH)	108.5885	0.030	2	108.5885	0.001	2	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2W)(CHHP)(H)2	C(PC[6a]2W)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2W)(CHHP)(H)2	C(PC[6a]2W)(CC[5]HH)(H)2	H(CC[5]CH)	109.3593	0.170	6	109.3593	0.029	6	109.2563	0.158	42	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHS)(H)2	C(SC[6a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]2H)(CHHS)(H)2	C(SC[6a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	108.4645	0.023	2	108.4645	0.001	2	108.3992	2.290	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CHHS)(H)2	C(SC[5a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHS)(H)2	C(SC[5a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	107.3650	1.826	2	107.3650	3.333	2	108.3992	2.290	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(H)2	C(SC[5a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHS)(H)2	C(SC[5a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	109.3680	2.022	2	109.3680	4.090	2	108.3992	2.290	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	Se-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C(SeC[6a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C(SeC[6a]OO)(CC[5]HH)(H)2	H(CC[5]CH)	108.7901	0.346	16	108.7901	0.120	16	108.7901	0.120	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	H(CC[5]CI)	C(C[5]C[5]2H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	H(CC[5]CI)	106.2650	0.000	1	106.2650	0.000	1	107.7450	4.381	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	H(CC[5]CI)	109.2250	0.000	1	109.2250	0.000	1	107.7450	4.381	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:O-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C(CC[5]HO)(CBrCH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C(CC[5]HO)(CBrCH)(H)2	H(CC[5]CO)	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:O-1:	C[5]-4:C-4:H-1:O-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]HO)(H)(O)	C(C[5]C[5]2Fe)(CC[5]HO)(H)(O)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CC[5]HO)(H)(O)	C(C[5]C[5]2Fe)(CC[5]HO)(H)(O)	H(CC[5]CO)	106.0930	0.590	2	106.0930	0.348	2	106.0930	0.348	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C(CC[6,6]ClH)(CF3)(H)2	H(CC[6,6]ClC)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C(CC[6,6]ClH)(CF3)(H)2	H(CC[6,6]ClC)	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	107.7385	0.046	2	107.7385	0.002	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6,6]CH)	107.2540	0.033	2	107.2540	0.001	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]2H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]2H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	108.0810	0.000	2	108.0810	0.000	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	108.5588	0.113	4	108.5588	0.013	4	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	C(CC[6,6]HH)(CH3)(H)2	H(CC[6,6]CH)	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	C(CC[6,6]HH)(CH3)(H)2	H(CC[6,6]CH)	109.1640	0.025	2	109.1640	0.001	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	107.9702	0.616	5	107.9702	0.380	5	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	108.2605	0.013	2	108.2605	0.000	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6,6]CH)	107.8555	0.022	2	107.8555	0.000	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[6,6]2H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]2H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	107.2570	0.004	2	107.2570	0.000	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	H(CC[6,6]CH)	108.4060	0.000	1	108.4060	0.000	1	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	H(CC[6,6]CH)	109.3005	1.094	2	109.3005	1.197	2	108.1659	0.484	26	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	C(CC[6,6]HH)(SC[6a]OO)(H)2	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CHHS)(H)2	C(CC[6,6]HH)(SC[6a]OO)(H)2	H(CC[6,6]CH)	108.7297	0.028	4	108.7297	0.001	4	108.7297	0.001	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	C(CC[6,6]HH)(SiC3)(H)2	H(CC[6,6]CH)	C(C[6,6]C[3x6]C[6,6]H)(CSiHH)(H)2	C(CC[6,6]HH)(SiC3)(H)2	H(CC[6,6]CH)	108.5255	0.042	2	108.5255	0.002	2	108.5255	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	C(CC[6]BrH)(CCHH)(Br)(H)	H(CC[6]BrC)	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	C(CC[6]BrH)(CCHH)(Br)(H)	H(CC[6]BrC)	106.0560	0.000	1	106.0560	0.000	1	106.0560	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C(CC[6]BrH)(CCHH)(H)2	H(CC[6]BrC)	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C(CC[6]BrH)(CCHH)(H)2	H(CC[6]BrC)	107.5060	0.000	1	107.5060	0.000	1	107.8043	0.149	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CC[6]BrH)(CClHH)(H)2	H(CC[6]BrC)	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CC[6]BrH)(CClHH)(H)2	H(CC[6]BrC)	108.2410	0.000	1	108.2410	0.000	1	107.8043	0.149	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CC[6]BrH)(CH3)(H)2	H(CC[6]BrC)	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CC[6]BrH)(CH3)(H)2	H(CC[6]BrC)	107.6660	0.000	1	107.6660	0.000	1	107.8043	0.149	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(C[6]C[6]2H)(CCFH)(F)(H)	C(CC[6]FH)(CCFH)(F)(H)	H(CC[6]CF)	C(C[6]C[6]2H)(CCFH)(F)(H)	C(CC[6]FH)(CCFH)(F)(H)	H(CC[6]CF)	108.4730	0.543	2	108.4730	0.295	2	108.4730	0.295	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CBHH)(H)2	C(BC[6a]2N[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CBHH)(H)2	C(BC[6a]2N[6])(CC[6]HH)(H)2	H(CC[6]CH)	108.3190	0.048	2	108.3190	0.002	2	108.3190	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CB[6]HH)(H)2	C(B[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CB[6]HH)(H)2	C(B[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	109.5605	1.078	4	109.5605	1.162	4	109.5605	1.162	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.1855	0.006	2	109.1855	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[4]O[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[4]O[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.8160	0.389	6	107.8160	0.151	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.9480	0.065	2	107.9480	0.004	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4125	0.033	2	108.4125	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.8976	0.484	7	107.8976	0.234	7	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	107.8970	0.000	1	107.8970	0.000	1	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	108.8740	0.024	2	108.8740	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4249	1.098	57	108.4249	1.206	57	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	109.0815	0.008	2	109.0815	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.0207	0.365	4	109.0207	0.133	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.8700	0.000	1	107.8700	0.000	1	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.4560	0.031	2	107.4560	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.3890	0.000	1	109.3890	0.000	1	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHN)(H)2	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHN)(H)2	H(CC[6]CH)	108.4920	0.634	4	108.4920	0.402	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	107.7465	1.173	2	107.7465	1.376	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.0190	0.188	2	108.0190	0.035	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4186	0.378	10	108.4186	0.143	10	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	107.6250	0.020	2	107.6250	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	108.4140	0.018	2	108.4140	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.1590	0.037	2	109.1590	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]2H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6,6]2H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.4278	0.069	4	108.4278	0.005	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[6]CH)	108.0720	0.010	2	108.0720	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	108.0330	0.264	12	108.0330	0.070	12	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	107.4140	1.355	2	107.4140	1.836	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCO)(H)2	H(CC[6]CH)	109.2383	0.050	4	109.2383	0.002	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.8384	0.659	9	108.8384	0.434	9	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	108.9595	0.018	2	108.9595	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.9913	0.349	7	108.9913	0.122	7	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	107.7818	2.831	4	107.7818	8.015	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CC[6]CH)	108.1265	0.499	13	108.1265	0.249	13	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.9080	0.564	3	107.9080	0.318	3	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.5138	0.347	6	108.5138	0.120	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.6040	0.028	2	108.6040	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.9330	0.165	5	108.9330	0.027	5	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]2N)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]2N)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.1515	0.059	2	109.1515	0.003	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]2O)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]2O)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	108.3407	0.130	4	108.3407	0.017	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.5225	0.033	2	108.5225	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.9577	0.104	3	107.9577	0.011	3	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.3037	0.047	3	108.3037	0.002	3	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.1159	0.716	7	108.1159	0.513	7	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.0561	0.142	7	108.0561	0.020	7	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.6653	0.559	7	108.6653	0.312	7	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CC[6]CH)	108.5485	0.066	2	108.5485	0.004	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.8337	0.342	6	108.8337	0.117	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	108.0995	0.022	2	108.0995	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4825	0.012	2	108.4825	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.0605	0.012	2	108.0605	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.1585	0.104	4	108.1585	0.011	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.5365	0.054	2	108.5365	0.003	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.1460	0.030	4	108.1460	0.001	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Br)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Br)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4235	0.022	2	108.4235	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.1336	0.593	73	108.1336	0.351	73	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	106.7420	0.465	4	106.7420	0.217	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.1051	0.283	44	108.1051	0.080	44	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CN[5]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CN[5]HH)(H)2	H(CC[6]CH)	107.8370	0.028	2	107.8370	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CC[6]CH)	108.5890	0.028	2	108.5890	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	110.6785	0.784	4	110.6785	0.614	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	108.3820	0.028	2	108.3820	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Cl)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Cl)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4090	0.027	2	108.4090	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6]2Cr)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.3605	0.015	2	108.3605	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Cr)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	109.3520	0.023	2	109.3520	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[4]HO)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[4]HO)(CC[6]HH)(H)2	H(CC[6]CH)	106.8665	0.006	2	106.8665	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[6]CH)	108.1250	0.000	1	108.1250	0.000	1	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	H(CC[6]CH)	108.7185	0.012	2	108.7185	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC3)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CC3)(H)2	H(CC[6]CH)	107.9215	0.054	2	107.9215	0.003	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCCO)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCCO)(H)2	H(CC[6]CH)	108.4046	0.238	10	108.4046	0.057	10	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.2816	0.713	76	108.2816	0.509	76	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	108.9855	0.012	2	108.9855	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.3712	1.230	49	108.3712	1.512	49	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	108.8458	0.057	5	108.8458	0.003	5	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	108.9430	0.631	4	108.9430	0.398	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.3669	0.403	46	108.3669	0.162	46	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.3016	0.157	8	108.3016	0.025	8	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	H(CC[6]CH)	108.5185	0.082	4	108.5185	0.007	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ir)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ir)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.5165	0.013	2	108.5165	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2N)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2N)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.0235	1.480	4	109.0235	2.190	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.0480	0.072	6	108.0480	0.005	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.0280	1.064	5	109.0280	1.132	5	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	108.9350	0.028	2	108.9350	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.0815	0.030	2	108.0815	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	108.4913	0.293	6	108.4913	0.086	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	108.4146	1.503	8	108.4146	2.260	8	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHHS)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHHS)(H)2	H(CC[6]CH)	108.2302	0.479	4	108.2302	0.229	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHOO)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CHOO)(H)2	H(CC[6]CH)	109.4950	0.232	6	109.4950	0.054	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CP[4]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CC[6]HH)(CP[4]HH)(H)2	H(CC[6]CH)	108.3138	0.111	5	108.3138	0.012	5	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2S)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	C(C[6]C[6]2S)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CC[6]CH)	108.8179	0.789	8	108.8179	0.623	8	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.5930	0.014	2	108.5930	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4383	1.111	52	108.4383	1.234	52	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHN)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHN)(H)2	H(CC[6]CH)	107.7818	0.289	4	107.7818	0.084	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[6]HS)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[6]HS)(H)2	H(CC[6]CH)	108.6505	0.006	2	108.6505	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.7389	0.337	23	108.7389	0.114	23	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6a]CH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6a]CH)(CC[6]HH)(H)2	H(CC[6]CH)	107.2435	0.019	2	107.2435	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[6]CH)	108.3955	0.009	2	108.3955	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CBrCH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CBrCH)(H)2	H(CC[6]CH)	107.9405	0.828	2	107.9405	0.686	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4813	0.159	4	108.4813	0.025	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	108.4753	1.272	12	108.4753	1.618	12	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[6]CH)	108.7560	0.000	1	108.7560	0.000	1	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCH)(H)2	H(CC[6]CH)	108.6298	0.363	12	108.6298	0.132	12	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCO)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCCO)(H)2	H(CC[6]CH)	108.0645	0.011	2	108.0645	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.7073	0.540	29	108.7073	0.292	29	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CClHH)(H)2	H(CC[6]CH)	109.0280	0.013	2	109.0280	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	109.1887	1.164	6	109.1887	1.356	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	H(CC[6]CH)	108.6595	0.013	2	108.6595	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.8580	0.296	5	108.8580	0.088	5	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.3180	0.010	2	108.3180	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHO)(H)2	H(CC[6]CH)	112.5610	3.420	2	112.5610	11.693	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]P[6]H)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]C[6]P[6]H)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.8555	0.036	2	108.8555	0.001	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]S[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6]S[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.8720	0.382	3	107.8720	0.146	3	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4580	0.016	2	108.4580	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.6465	0.074	4	107.6465	0.005	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.4415	0.431	4	108.4415	0.185	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.8722	3.654	8	108.8722	13.350	8	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.4135	0.021	2	108.4135	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.8720	0.006	2	108.8720	0.000	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	107.9585	0.309	48	107.9585	0.095	48	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]N[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.9310	0.091	2	108.9310	0.008	2	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]O[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	109.9832	1.875	4	109.9832	3.516	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]O[6]2C)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.3317	0.063	4	108.3317	0.004	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[5]CC)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[5]CC)(CC[6]HH)(H)2	H(CC[6]CH)	109.0812	0.242	4	109.0812	0.058	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.9284	0.222	13	108.9284	0.049	13	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.0722	1.705	6	108.0722	2.907	6	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[6a]HN)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[6a]HN)(CC[6]HH)(H)2	H(CC[6]CH)	108.9365	0.092	4	108.9365	0.008	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]S[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]S[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.3980	0.236	30	108.3980	0.056	30	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]S[6]2C)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	C(C[6]S[6]2C)(CCHH)(H)2	C(CC[6]HH)2(H)2	H(CC[6]CH)	108.3620	0.029	4	108.3620	0.001	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]S[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	C(C[6]S[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	H(CC[6]CH)	108.5708	0.365	12	108.5708	0.133	12	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]Si[6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	C(C[6]Si[6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CH3)(H)2	H(CC[6]CH)	108.2155	0.058	4	108.2155	0.003	4	108.4030	0.740	985	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	C(CC[6]HH)(NCCH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	C(CC[6]HH)(NCCH)(H)2	H(CC[6]CH)	107.9375	0.146	4	107.9375	0.021	4	109.0488	0.576	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]Cu)(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]Cu)(CHHN)(H)2	C(CC[6]HH)(NCuCC)(H)2	H(CC[6]CH)	109.0595	0.086	2	109.0595	0.007	2	109.0488	0.576	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NC3)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CHHN)(H)2	C(CC[6]HH)(NC3)(H)2	H(CC[6]CH)	109.7325	0.040	2	109.7325	0.002	2	109.0488	0.576	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CHHN)(H)2	C(CC[6]HH)(NRuHH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHN)(H)2	C(CC[6]HH)(NRuHH)(H)2	H(CC[6]CH)	109.9595	0.057	2	109.9595	0.003	2	109.0488	0.576	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CHHN)(H)2	C(CC[6]HH)(NFeCC)(H)2	H(CC[6]CH)	C(C[6]O[6]2H)(CHHN)(H)2	C(CC[6]HH)(NFeCC)(H)2	H(CC[6]CH)	109.2547	0.395	6	109.2547	0.156	6	109.0488	0.576	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CHHP)(H)2	C(CC[6]HH)(PRuCC)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHP)(H)2	C(CC[6]HH)(PRuCC)(H)2	H(CC[6]CH)	109.4022	0.420	6	109.4022	0.177	6	109.4022	0.177	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	H(CC[6]CH)	106.8900	0.006	2	106.8900	0.000	2	106.8900	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[3]HH)(H)2	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	107.9890	0.016	2	107.9890	0.000	2	108.3466	0.174	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.0530	0.033	2	108.0530	0.001	2	108.3466	0.174	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	H(CC[6]CH)	108.6780	0.419	4	108.6780	0.175	4	108.3466	0.174	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.3230	0.000	1	108.3230	0.000	1	108.3466	0.174	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[3x6]HH)(H)2	C(C[3x6]C[5,4x6]C[6,6]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	105.6480	2.465	2	105.6480	6.076	2	105.6480	6.076	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	C(C[4]C[4]O[4]C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[4]HH)(H)2	C(C[4]C[4]O[4]C)(CC[6]HH)(H)2	H(CC[6]CH)	108.4985	0.047	2	108.4985	0.002	2	107.7381	1.154	46	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[6]HH)(H)2	H(CC[6]CH)	107.8005	0.019	2	107.8005	0.000	2	107.7381	1.154	46	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[4]C[4,6,6]C[4]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[4]C[4,6,6]C[4]H)(CC[6]HH)(H)2	H(CC[6]CH)	111.1710	2.141	2	111.1710	4.584	2	107.7381	1.154	46	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[4]C[4]2H)(CC[6]HH)(H)2	H(CC[6]CH)	107.5254	0.730	40	107.5254	0.533	40	107.7381	1.154	46	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[5,5,6]HH)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	H(CC[6]CH)	107.7985	0.021	2	107.7985	0.000	2	107.7985	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[5,6]HH)(H)2	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	H(CC[6]CH)	105.9535	0.664	2	105.9535	0.441	2	105.9535	0.441	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	107.9264	0.301	5	107.9264	0.091	5	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.5015	0.081	2	108.5015	0.007	2	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.2632	0.285	4	108.2632	0.081	4	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.5280	0.051	2	108.5280	0.003	2	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.1773	0.103	6	108.1773	0.011	6	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	107.5495	0.008	2	107.5495	0.000	2	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	107.8080	0.350	4	107.8080	0.123	4	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.0140	1.404	2	108.0140	1.972	2	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.4052	0.760	4	108.4052	0.578	4	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	H(CC[6]CH)	107.8220	0.018	2	107.8220	0.000	2	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.0450	0.000	1	108.0450	0.000	1	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.7205	0.005	2	108.7205	0.000	2	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	C(C[5]O[5]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.9845	0.092	4	108.9845	0.008	4	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[5]HH)(H)2	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.3783	0.108	3	108.3783	0.012	3	108.2323	0.253	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	108.0425	0.042	4	108.0425	0.002	4	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.1902	0.362	55	108.1902	0.131	55	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.6528	0.822	6	108.6528	0.676	6	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.3120	0.008	2	108.3120	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	107.2275	0.012	2	107.2275	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.4025	0.012	2	108.4025	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	109.4010	0.018	2	109.4010	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.6340	0.021	2	108.6340	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.7809	0.286	12	108.7809	0.082	12	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.9445	0.012	2	108.9445	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	109.0224	0.144	10	109.0224	0.021	10	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	106.9335	0.028	2	106.9335	0.001	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	106.5385	0.036	2	106.5385	0.001	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[4]C[6]O[6])(CC[6]HH)(H)2	H(CC[6]CH)	109.1690	0.000	1	109.1690	0.000	1	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.1600	0.076	2	108.1600	0.006	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.5630	0.059	2	108.5630	0.004	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	106.2650	0.031	2	106.2650	0.001	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	109.3955	0.126	4	109.3955	0.016	4	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2O)(CC[6]HH)(H)2	H(CC[6]CH)	108.4315	0.254	2	108.4315	0.064	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	107.2000	0.004	2	107.2000	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2O)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(H)2	H(CC[6]CH)	108.3550	0.076	2	108.3550	0.006	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	C(C[6]O[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.4770	0.076	2	108.4770	0.006	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	108.1735	0.523	4	108.1735	0.273	4	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	107.6722	0.674	4	107.6722	0.454	4	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C(C[6]C[5,6]C[6,6]O)(CC[6]HH)(H)2	H(CC[6]CH)	108.2735	0.013	2	108.2735	0.000	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.7475	0.176	10	108.7475	0.031	10	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	H(CC[6]CH)	108.7130	2.007	2	108.7130	4.027	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]N[6]2C)(CC[6]HH)(H)2	C(C[6]N[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]N[6]2C)(CC[6]HH)(H)2	C(C[6]N[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	109.7954	1.110	24	109.7954	1.232	24	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]C[3x6]C[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.7582	0.369	57	108.7582	0.136	57	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	108.3582	0.433	6	108.3582	0.187	6	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	H(CC[6]CH)	107.8990	1.348	2	107.8990	1.816	2	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]S[6]2C)(CC[6]HH)(H)2	C(C[6]S[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]S[6]2C)(CC[6]HH)(H)2	C(C[6]S[6]2C)(CC[6]HH)(H)2	H(CC[6]CH)	108.6488	0.134	6	108.6488	0.018	6	108.5923	0.627	239	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Rh)(CHHP)(H)2	C(PC[6]2Rh)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Rh)(CHHP)(H)2	C(PC[6]2Rh)(CC[6]HH)(H)2	H(CC[6]CH)	109.4870	0.016	2	109.4870	0.000	2	109.6875	0.054	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]2Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CC[6]HH)(H)2	H(CC[6]CH)	109.8880	0.027	2	109.8880	0.001	2	109.6875	0.054	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	109.5215	0.018	2	109.5215	0.000	2	109.2862	0.061	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]C)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]N[6]C)(CHHS)(H)2	C(SC[6a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	109.2270	0.023	2	109.2270	0.001	2	109.2862	0.061	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHS)(H)2	C(SC[5a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CHHS)(H)2	C(SC[5a]OO)(CC[6]HH)(H)2	H(CC[6]CH)	108.9340	0.000	1	108.9340	0.000	1	109.2862	0.061	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	C(CC[6]HI)(CCHH)(H)2	H(CC[6]CI)	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	C(CC[6]HI)(CCHH)(H)2	H(CC[6]CI)	106.6840	0.000	1	106.6840	0.000	1	106.6840	0.000	1	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Ge-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(GeC[6a]3)(CCHH)(H)2	C(CGeHH)(CF3)(H)2	H(CGeCH)	C(GeC[6a]3)(CCHH)(H)2	C(CGeHH)(CF3)(H)2	H(CGeCH)	109.0475	0.008	2	109.0475	0.000	2	108.7696	0.027	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Ge-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(GePtCH)(CCHH)(H)2	C(CGeHH)(CCHH)(H)2	H(CGeCH)	C(GePtCH)(CCHH)(H)2	C(CGeHH)(CCHH)(H)2	H(CGeCH)	108.6901	0.058	7	108.6901	0.003	7	108.7696	0.027	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NAl2C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NAl2C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.3455	0.023	2	109.3455	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NAl2C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NAl2C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1860	0.153	4	109.1860	0.023	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NAlCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NAlCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.7521	0.314	10	108.7521	0.099	10	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NAlCH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NAlCH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.4120	0.018	2	109.4120	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6,6]ZnH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6,6]ZnH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9502	0.047	4	108.9502	0.002	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.4450	0.099	6	108.4450	0.010	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NC[6]CH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	108.6250	0.000	1	108.6250	0.000	1	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CoH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6]CoH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.0470	0.000	1	108.0470	0.000	1	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CuC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(NC[6]CuC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	108.4765	0.101	2	108.4765	0.010	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CuC)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(NC[6]CuC)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	108.4395	0.057	2	108.4395	0.003	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CuH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NC[6]CuH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	109.3170	0.058	2	109.3170	0.003	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NC[6]HH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	109.0072	0.313	6	109.0072	0.098	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.4365	0.019	2	109.4365	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NC[6]HH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	110.1253	0.092	3	110.1253	0.008	3	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6]HH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1544	0.197	27	109.1544	0.039	27	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HgC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6]HgC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.8100	0.255	4	108.8100	0.065	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HgC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6]HgC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.2045	0.030	2	108.2045	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]NiH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NC[6]NiH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	109.1448	0.086	4	109.1448	0.007	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]NiH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6]NiH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0120	0.011	2	109.0120	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]PtH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6]PtH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.8882	0.060	4	108.8882	0.004	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]ZnC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6]ZnC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.7763	0.116	4	108.7763	0.013	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]ZnC)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NC[6]ZnC)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	108.4435	0.091	2	108.4435	0.008	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]ZnC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NC[6]ZnC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.8600	0.000	1	108.8600	0.000	1	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.6700	0.014	2	108.6700	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]CH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	107.9950	0.098	4	107.9950	0.010	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CuC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]CuC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.8460	0.058	4	108.8460	0.003	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]FeC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]FeC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.7686	0.206	7	108.7686	0.042	7	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NC[6a]HH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.3847	0.020	4	109.3847	0.000	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]HgC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NC[6a]HgC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	109.3888	2.019	4	109.3888	4.076	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]MnC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NC[6a]MnC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.8940	2.699	4	109.8940	7.285	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCdCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCdCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4425	0.291	13	108.4425	0.085	13	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCdCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCdCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.7130	0.201	6	108.7130	0.040	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCdHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCdHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1157	0.067	4	109.1157	0.005	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.1983	0.043	4	108.1983	0.002	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NCoCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.5515	0.197	4	108.5515	0.039	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCoCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.6740	1.463	164	108.6740	2.139	164	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(NCoCH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.2432	0.104	4	109.2432	0.011	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCoCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2004	0.665	268	109.2004	0.442	268	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NCoHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9044	0.218	17	108.9044	0.048	17	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(NCoHH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.1251	0.149	14	109.1251	0.022	14	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCoHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1196	0.586	101	109.1196	0.343	101	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NCrCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.0069	2.179	8	109.0069	4.747	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrCC)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NCrCC)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	108.5295	0.039	2	108.5295	0.002	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCrCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4547	0.280	37	108.4547	0.078	37	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NCrCH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.1980	0.086	4	109.1980	0.007	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCrCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1124	0.186	70	109.1124	0.035	70	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCrHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0651	0.796	38	109.0651	0.633	38	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.6622	0.459	14	108.6622	0.211	14	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	108.6460	0.010	2	108.6460	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	108.7912	0.052	6	108.7912	0.003	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.0570	0.000	1	108.0570	0.000	1	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.4603	0.243	4	108.4603	0.059	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.6028	0.025	4	108.6028	0.001	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.5633	0.794	321	108.5633	0.630	321	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	108.3140	0.035	2	108.3140	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	108.7310	0.033	2	108.7310	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	108.1830	1.517	2	108.1830	2.303	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NCuCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	109.3521	0.522	8	109.3521	0.273	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCuCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0726	1.311	201	109.0726	1.719	201	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	108.7310	0.670	4	108.7310	0.448	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NCuHH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	109.3065	0.009	2	109.3065	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NCuHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0531	0.598	73	109.0531	0.358	73	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NCuHH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	110.0307	2.289	12	110.0307	5.239	12	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	107.7123	1.304	11	107.7123	1.700	11	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NFeCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.3782	0.183	5	108.3782	0.033	5	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NFeCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.5286	0.427	196	108.5286	0.182	196	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9055	0.043	2	108.9055	0.002	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	109.1723	0.066	4	109.1723	0.004	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NFeCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.8282	0.111	5	108.8282	0.012	5	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NFeCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9844	0.505	191	108.9844	0.255	191	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	109.0098	0.108	5	109.0098	0.012	5	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NFeHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	107.8990	0.079	2	107.8990	0.006	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NFeHH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.3535	0.054	2	108.3535	0.003	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NFeHH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.9844	0.509	8	108.9844	0.259	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NFeHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3334	0.208	7	109.3334	0.043	7	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NHgHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NHgHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9195	0.220	4	108.9195	0.048	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NIrCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NIrCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.3705	0.038	4	108.3705	0.001	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NIrCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(NIrCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	107.9625	0.005	2	107.9625	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NIrCC)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NIrCC)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	108.0237	0.047	3	108.0237	0.002	3	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NIrCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NIrCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.7390	0.084	6	108.7390	0.007	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NIrCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NIrCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	108.8985	0.045	2	108.8985	0.002	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NLi2C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NLi2C)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.4185	0.170	2	108.4185	0.029	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NLi2C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NLi2C)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9376	0.187	8	108.9376	0.035	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NLiCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NLiCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9535	0.018	2	108.9535	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NLiCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NLiCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3660	0.013	2	109.3660	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NLiHH)(CCHH)(H)2	C(CN[4]HH)(CHHN)(H)2	H(CCHN)	C(NLiHH)(CCHH)(H)2	C(CN[4]HH)(CHHN)(H)2	H(CCHN)	109.0337	0.360	4	109.0337	0.129	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMgCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMgCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4002	0.184	8	108.4002	0.034	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMgCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMgCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1112	0.112	8	109.1112	0.012	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMn2P)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NMn2P)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.6535	0.032	2	108.6535	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.3584	0.290	19	108.3584	0.084	19	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	108.7205	0.054	2	108.7205	0.003	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NMnCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.0745	0.029	4	108.0745	0.001	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMnCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4368	0.716	62	108.4368	0.512	62	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMnCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMnCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0641	1.037	257	109.0641	1.076	257	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMnHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMnHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	106.5743	7.956	11	106.5743	63.300	11	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMoCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMoCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.8865	0.050	4	108.8865	0.003	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMoHH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(NMoHH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	108.7060	0.091	2	108.7060	0.008	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NMoHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NMoHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1090	0.051	4	109.1090	0.003	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.1472	0.296	10	108.1472	0.088	10	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	108.0850	0.006	2	108.0850	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.3572	0.430	5	108.3572	0.185	5	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	109.4076	1.665	8	109.4076	2.772	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.5705	0.542	562	108.5705	0.294	562	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(H)2	C(CNiOO)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CCHH)(H)2	C(CNiOO)(CHHN)(H)2	H(CCHN)	107.8880	0.000	1	107.8880	0.000	1	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NNiCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.5722	0.270	4	108.5722	0.073	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NNiCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.6584	0.111	8	108.6584	0.012	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NNiCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1391	0.687	373	109.1391	0.473	373	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NNiHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0507	0.757	124	109.0507	0.573	124	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NOsCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NOsCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.5590	0.028	4	108.5590	0.001	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NOsHH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NOsHH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.0545	0.069	2	109.0545	0.005	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NOsHH)(CCHH)(H)2	C(COsHH)(CHHN)(H)2	H(CCHN)	C(NOsHH)(CCHH)(H)2	C(COsHH)(CHHN)(H)2	H(CCHN)	113.2050	3.374	2	113.2050	11.386	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NPdCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.2772	0.261	107	108.2772	0.068	107	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NPdCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.5021	0.316	12	108.5021	0.100	12	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NPdCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0045	2.239	16	109.0045	5.015	16	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.6622	0.326	6	108.6622	0.106	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NPdCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.6470	0.040	2	108.6470	0.002	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NPdCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.6175	1.212	12	108.6175	1.468	12	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	108.4430	0.096	2	108.4430	0.009	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	H(CCHN)	108.7895	0.021	2	108.7895	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdHH)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NPdHH)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	H(CCHN)	109.4590	0.011	2	109.4590	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdHH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	C(NPdHH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHN)	109.3150	0.158	4	109.3150	0.025	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdHH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NPdHH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.9015	0.045	2	108.9015	0.002	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NPdHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1915	0.200	8	109.1915	0.040	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPtCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NPtCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4995	0.544	44	108.4995	0.296	44	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPtCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NPtCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	109.1120	0.023	2	109.1120	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPtCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NPtCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.6732	0.044	4	108.6732	0.002	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPtHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NPtHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1627	0.270	18	109.1627	0.073	18	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NReCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.2543	0.240	6	108.2543	0.058	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NReCC)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	108.1757	0.314	3	108.1757	0.099	3	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NReCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4464	0.277	7	108.4464	0.076	7	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	C(NReCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CCHN)	108.9540	0.036	4	108.9540	0.001	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	C(NReCC)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	H(CCHN)	108.9230	0.045	2	108.9230	0.002	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NReCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9300	0.392	15	108.9300	0.154	15	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NReHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1515	0.157	8	109.1515	0.025	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NRhCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.5260	1.045	2	108.5260	1.092	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhCC)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(NRhCC)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	108.7575	1.682	4	108.7575	2.830	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhCC)(CCHH)(H)2	C(CRhHS)(CHHN)(H)2	H(CCHN)	C(NRhCC)(CCHH)(H)2	C(CRhHS)(CHHN)(H)2	H(CCHN)	110.0030	0.509	2	110.0030	0.259	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NRhCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.9967	0.176	3	108.9967	0.031	3	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NRhCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.3215	2.065	8	109.3215	4.263	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NRhHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.8430	0.000	1	108.8430	0.000	1	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhHH)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(NRhHH)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	108.6930	2.012	2	108.6930	4.050	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhHH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NRhHH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	108.7891	0.155	15	108.7891	0.024	15	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.2740	0.133	3	108.2740	0.018	3	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NRuCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.4231	0.865	35	108.4231	0.748	35	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	H(CCHN)	108.9115	0.214	4	108.9115	0.046	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	C(NRuCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHN)	109.0580	0.034	4	109.0580	0.001	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NRuCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.2445	0.008	2	109.2445	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CCHN)	108.0120	0.014	2	108.0120	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	C(NRuHH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	H(CCHN)	109.3450	0.000	1	109.3450	0.000	1	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NRuHH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	112.2142	1.637	6	112.2142	2.679	6	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NRuHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1849	0.258	7	109.1849	0.067	7	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	C(NRuHH)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CCHN)	109.0340	0.010	2	109.0340	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NSnCC)(CCHH)(H)2	C(CSnHH)(CHHN)(H)2	H(CCHN)	C(NSnCC)(CCHH)(H)2	C(CSnHH)(CHHN)(H)2	H(CCHN)	109.6538	0.373	5	109.6538	0.139	5	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NTcCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NTcCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.4275	0.011	2	108.4275	0.000	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NTcCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NTcCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.9933	0.676	4	108.9933	0.457	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CCCO)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CCCO)(CHHN)(H)2	H(CCHN)	108.3130	0.023	2	108.3130	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.2811	0.191	18	108.2811	0.036	18	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	H(CCHN)	108.2373	0.060	4	108.2373	0.004	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	H(CCHN)	108.6130	0.103	2	108.6130	0.011	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	108.7246	0.078	7	108.7246	0.006	7	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NZnCC)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.6605	1.002	96	108.6605	1.003	96	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	C(NZnCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	H(CCHN)	108.8845	0.035	2	108.8845	0.001	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	C(NZnCH)(CCHH)(H)2	C(CHHN)(CH3)(H)2	H(CCHN)	109.2660	0.041	2	109.2660	0.002	2	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NZnCH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.1989	1.416	79	109.1989	2.005	79	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnHH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	C(NZnHH)(CCHH)(H)2	C(CHHN)(CHHO)(H)2	H(CCHN)	110.0717	0.757	8	110.0717	0.572	8	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NZnHH)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	109.0948	0.201	10	109.0948	0.040	10	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnHO)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	C(NZnHO)(CCHH)(H)2	C(CHHN)2(H)2	H(CCHN)	108.9828	0.134	4	108.9828	0.018	4	108.8388	0.913	4143	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(NCuCH)(CCHO)(H)2	C(CHHN)2(H)(O)	H(CCHN)	C(NCuCH)(CCHO)(H)2	C(CHHN)2(H)(O)	H(CCHN)	109.1913	0.227	3	109.1913	0.052	3	109.1913	0.052	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(NC[6a]HH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.6743	0.236	4	108.6743	0.056	4	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	108.4010	0.052	2	108.4010	0.003	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.7095	0.054	2	108.7095	0.003	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NMoHH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(NMoHH)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.2420	0.000	1	108.2420	0.000	1	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	108.5765	0.033	2	108.5765	0.001	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.8630	0.079	2	108.8630	0.006	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	108.4785	5.369	2	108.4785	28.827	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NReCC)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	C(NReCC)(CHHN)(H)2	C(CHHN)(NH3)(H)2	H(CCHN)	108.3975	0.009	2	108.3975	0.000	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(CHHN)(NCCH)(H)2	H(CCHN)	108.9965	0.023	2	108.9965	0.001	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	C(NZnHH)(CHHN)(H)2	C(CHHN)(NCHH)(H)2	H(CCHN)	109.1515	0.069	2	109.1515	0.005	2	108.6708	1.517	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCo3)(H)2	H(CCHN)	C(NCoCC)(CHHO)(H)2	C(CHHN)(OCo3)(H)2	H(CCHN)	109.7968	0.133	6	109.7968	0.018	6	109.4452	0.275	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(NCoCH)(CHHO)(H)2	C(CHHN)(OCo3)(H)2	H(CCHN)	C(NCoCH)(CHHO)(H)2	C(CHHN)(OCo3)(H)2	H(CCHN)	109.6315	0.505	4	109.6315	0.255	4	109.4452	0.275	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFe3)(H)2	H(CCHN)	C(NFeCC)(CHHO)(H)2	C(CHHN)(OFe3)(H)2	H(CCHN)	109.2843	0.377	9	109.2843	0.142	9	109.4452	0.275	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(NLiCC)(CHHO)(H)2	C(CHHN)(OLi3)(H)2	H(CCHN)	C(NLiCC)(CHHO)(H)2	C(CHHN)(OLi3)(H)2	H(CCHN)	109.0708	0.067	6	109.0708	0.005	6	109.4452	0.275	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(NMgHH)(CHHO)(H)2	C(CHHN)(OMg3)(H)2	H(CCHN)	C(NMgHH)(CHHO)(H)2	C(CHHN)(OMg3)(H)2	H(CCHN)	109.7730	0.000	1	109.7730	0.000	1	109.4452	0.275	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMn3)(H)2	H(CCHN)	C(NMnCC)(CHHO)(H)2	C(CHHN)(OMn3)(H)2	H(CCHN)	109.5175	0.028	2	109.5175	0.001	2	109.4452	0.275	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONi3)(H)2	H(CCHN)	C(NNiCH)(CHHO)(H)2	C(CHHN)(ONi3)(H)2	H(CCHN)	109.6285	1.952	2	109.6285	3.812	2	109.4452	0.275	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAgCC)(CHHN)(H)2	C(NAgCC)(CHHN)(H)2	H(CCHN)	C(NAgCC)(CHHN)(H)2	C(NAgCC)(CHHN)(H)2	H(CCHN)	108.8700	0.183	127	108.8700	0.034	127	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAgCC)(CHHN)(H)2	C(NAgCH)(CHHN)(H)2	H(CCHN)	C(NAgCC)(CHHN)(H)2	C(NAgCH)(CHHN)(H)2	H(CCHN)	108.9677	0.075	6	108.9677	0.006	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAgCH)(CHHN)(H)2	C(NAgCC)(CHHN)(H)2	H(CCHN)	C(NAgCH)(CHHN)(H)2	C(NAgCC)(CHHN)(H)2	H(CCHN)	109.3066	0.097	5	109.3066	0.009	5	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAgHH)(CHHN)(H)2	C(NAgHH)(CHHN)(H)2	H(CCHN)	C(NAgHH)(CHHN)(H)2	C(NAgHH)(CHHN)(H)2	H(CCHN)	108.2845	0.005	2	108.2845	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAl2C)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	C(NAl2C)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	110.0012	0.061	4	110.0012	0.004	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAlCC)(CHHN)(H)2	C(NAl2C)(CHHN)(H)2	H(CCHN)	C(NAlCC)(CHHN)(H)2	C(NAl2C)(CHHN)(H)2	H(CCHN)	109.7950	0.031	4	109.7950	0.001	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAlCC)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	C(NAlCC)(CHHN)(H)2	C(NAlCC)(CHHN)(H)2	H(CCHN)	109.7247	0.929	78	109.7247	0.863	78	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NAlMgC)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	C(NAlMgC)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	108.7899	0.295	16	108.7899	0.087	16	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NBeHH)(CHHN)(H)2	C(NBeHH)(CHHN)(H)2	H(CCHN)	C(NBeHH)(CHHN)(H)2	C(NBeHH)(CHHN)(H)2	H(CCHN)	110.6660	0.676	18	110.6660	0.457	18	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[5]HH)(CHHN)(H)2	C(NC[5]HH)(CHHN)(H)2	H(CCHN)	C(NC[5]HH)(CHHN)(H)2	C(NC[5]HH)(CHHN)(H)2	H(CCHN)	109.8320	0.109	8	109.8320	0.012	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]CH)(CHHN)(H)2	C(NC[6]CH)(CHHN)(H)2	H(CCHN)	C(NC[6]CH)(CHHN)(H)2	C(NC[6]CH)(CHHN)(H)2	H(CCHN)	109.3175	0.026	2	109.3175	0.001	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]CuC)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(NC[6]CuC)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	109.5540	0.201	5	109.5540	0.041	5	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]CuH)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(NC[6]CuH)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	110.0860	0.055	4	110.0860	0.003	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CHHN)(H)2	C(NC[6]HH)(CHHN)(H)2	H(CCHN)	C(NC[6]HH)(CHHN)(H)2	C(NC[6]HH)(CHHN)(H)2	H(CCHN)	111.3730	0.354	2	111.3730	0.125	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]MnH)(CHHN)(H)2	C(NC[6]MnH)(CHHN)(H)2	H(CCHN)	C(NC[6]MnH)(CHHN)(H)2	C(NC[6]MnH)(CHHN)(H)2	H(CCHN)	109.7050	0.042	4	109.7050	0.002	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]MnH)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	C(NC[6]MnH)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	109.8410	0.087	5	109.8410	0.008	5	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]NiH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(NC[6]NiH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	109.4500	0.121	6	109.4500	0.015	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6]PtH)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	C(NC[6]PtH)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	109.8435	0.016	2	109.8435	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]Al2)(CHHN)(H)2	C(NC[6a]AlH)(CHHN)(H)2	H(CCHN)	C(NC[6a]Al2)(CHHN)(H)2	C(NC[6a]AlH)(CHHN)(H)2	H(CCHN)	109.9828	0.029	5	109.9828	0.001	5	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]AlH)(CHHN)(H)2	C(NC[6a]Al2)(CHHN)(H)2	H(CCHN)	C(NC[6a]AlH)(CHHN)(H)2	C(NC[6a]Al2)(CHHN)(H)2	H(CCHN)	110.2916	0.156	5	110.2916	0.024	5	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CdH)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]CdH)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	109.5361	0.212	18	109.5361	0.045	18	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CoH)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]CoH)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	110.0120	0.025	2	110.0120	0.001	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CuC)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]CuC)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	108.9383	0.253	11	108.9383	0.064	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CuC)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(NC[6a]CuC)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	110.1420	0.023	4	110.1420	0.001	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]FeB)(CHHN)(H)2	C(NC[6a]FeB)(CHHN)(H)2	H(CCHN)	C(NC[6a]FeB)(CHHN)(H)2	C(NC[6a]FeB)(CHHN)(H)2	H(CCHN)	109.6833	0.167	7	109.6833	0.028	7	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]FeC)(CHHN)(H)2	C(NC[6a]FeC)(CHHN)(H)2	H(CCHN)	C(NC[6a]FeC)(CHHN)(H)2	C(NC[6a]FeC)(CHHN)(H)2	H(CCHN)	109.4910	0.049	4	109.4910	0.002	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]FeC)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	C(NC[6a]FeC)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	109.8790	0.040	3	109.8790	0.002	3	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	C(NC[6a]HH)(CHHN)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(CCHN)	109.6578	0.106	4	109.6578	0.011	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]MnC)(CHHN)(H)2	C(NC[6a]MnC)(CHHN)(H)2	H(CCHN)	C(NC[6a]MnC)(CHHN)(H)2	C(NC[6a]MnC)(CHHN)(H)2	H(CCHN)	109.1625	0.401	8	109.1625	0.161	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]MnH)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]MnH)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	109.8025	0.055	4	109.8025	0.003	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]MoC)(CHHN)(H)2	C(NC[6a]MoC)(CHHN)(H)2	H(CCHN)	C(NC[6a]MoC)(CHHN)(H)2	C(NC[6a]MoC)(CHHN)(H)2	H(CCHN)	109.3315	0.238	4	109.3315	0.057	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]NiH)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	C(NC[6a]NiH)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	110.1470	0.019	3	110.1470	0.000	3	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NC[6a]ZnH)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]ZnH)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	110.1743	0.119	8	110.1743	0.014	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCaCC)(CHHN)(H)2	C(NCaCC)(CHHN)(H)2	H(CCHN)	C(NCaCC)(CHHN)(H)2	C(NCaCC)(CHHN)(H)2	H(CCHN)	108.2414	0.830	5	108.2414	0.690	5	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdCC)(CHHN)(H)2	C(NC[6a]CdH)(CHHN)(H)2	H(CCHN)	C(NCdCC)(CHHN)(H)2	C(NC[6a]CdH)(CHHN)(H)2	H(CCHN)	109.0809	0.201	17	109.0809	0.040	17	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdCC)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	C(NCdCC)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	108.9681	1.643	56	108.9681	2.699	56	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdCC)(CHHN)(H)2	C(NCdCH)(CHHN)(H)2	H(CCHN)	C(NCdCC)(CHHN)(H)2	C(NCdCH)(CHHN)(H)2	H(CCHN)	109.2870	0.072	2	109.2870	0.005	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdCC)(CHHN)(H)2	C(NCdHH)(CHHN)(H)2	H(CCHN)	C(NCdCC)(CHHN)(H)2	C(NCdHH)(CHHN)(H)2	H(CCHN)	109.2187	0.461	6	109.2187	0.213	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdCH)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	C(NCdCH)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	109.3900	0.082	2	109.3900	0.007	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdCH)(CHHN)(H)2	C(NCdCH)(CHHN)(H)2	H(CCHN)	C(NCdCH)(CHHN)(H)2	C(NCdCH)(CHHN)(H)2	H(CCHN)	109.3684	0.231	8	109.3684	0.053	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdCH)(CHHN)(H)2	C(NCdHH)(CHHN)(H)2	H(CCHN)	C(NCdCH)(CHHN)(H)2	C(NCdHH)(CHHN)(H)2	H(CCHN)	109.5145	0.152	11	109.5145	0.023	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdHH)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	C(NCdHH)(CHHN)(H)2	C(NCdCC)(CHHN)(H)2	H(CCHN)	109.6182	0.576	6	109.6182	0.332	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdHH)(CHHN)(H)2	C(NCdCH)(CHHN)(H)2	H(CCHN)	C(NCdHH)(CHHN)(H)2	C(NCdCH)(CHHN)(H)2	H(CCHN)	109.5134	0.150	12	109.5134	0.022	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCdHH)(CHHN)(H)2	C(NCdHH)(CHHN)(H)2	H(CCHN)	C(NCdHH)(CHHN)(H)2	C(NCdHH)(CHHN)(H)2	H(CCHN)	109.2956	0.200	19	109.2956	0.040	19	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(NC[6a]CoH)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(NC[6a]CoH)(CHHN)(H)2	H(CCHN)	109.6275	0.062	2	109.6275	0.004	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	109.4916	0.956	734	109.4916	0.913	734	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	109.7650	0.267	87	109.7650	0.071	87	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CHHN)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	109.8796	1.205	108	109.8796	1.452	108	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(NCoCH)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	110.0507	0.360	99	110.0507	0.130	99	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CHHN)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	C(NCoCH)(CHHN)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	110.2259	0.739	700	110.2259	0.547	700	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CHHN)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	C(NCoCH)(CHHN)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	109.8810	0.955	141	109.8810	0.912	141	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	C(NCoHH)(CHHN)(H)2	C(NCoCC)(CHHN)(H)2	H(CCHN)	109.9984	0.659	107	109.9984	0.434	107	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	C(NCoHH)(CHHN)(H)2	C(NCoCH)(CHHN)(H)2	H(CCHN)	110.0258	1.228	148	110.0258	1.507	148	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	C(NCoHH)(CHHN)(H)2	C(NCoHH)(CHHN)(H)2	H(CCHN)	110.2082	0.907	947	110.2082	0.823	947	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrCC)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	C(NCrCC)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	109.4282	0.943	147	109.4282	0.889	147	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrCC)(CHHN)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	C(NCrCC)(CHHN)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	109.0250	0.056	4	109.0250	0.003	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrCC)(CHHN)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	C(NCrCC)(CHHN)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	109.4285	0.341	10	109.4285	0.117	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	C(NCrCH)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	110.0710	0.154	4	110.0710	0.024	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CHHN)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	C(NCrCH)(CHHN)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	109.9450	0.174	109	109.9450	0.030	109	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CHHN)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	C(NCrCH)(CHHN)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	109.8633	0.092	11	109.8633	0.009	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrHH)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	C(NCrHH)(CHHN)(H)2	C(NCrCC)(CHHN)(H)2	H(CCHN)	109.8019	0.140	10	109.8019	0.020	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrHH)(CHHN)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	C(NCrHH)(CHHN)(H)2	C(NCrCH)(CHHN)(H)2	H(CCHN)	110.0362	0.070	10	110.0362	0.005	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCrHH)(CHHN)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	C(NCrHH)(CHHN)(H)2	C(NCrHH)(CHHN)(H)2	H(CCHN)	110.1172	0.125	24	110.1172	0.016	24	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(NC[6]CuC)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(NC[6]CuC)(CHHN)(H)2	H(CCHN)	109.4902	0.247	6	109.4902	0.061	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(NC[6a]CuC)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(NC[6a]CuC)(CHHN)(H)2	H(CCHN)	108.9195	0.146	11	108.9195	0.021	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	109.2961	0.686	653	109.2961	0.471	653	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	109.4456	0.814	182	109.4456	0.663	182	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHN)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHN)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	109.6031	0.396	59	109.6031	0.157	59	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(NC[6]CuH)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(NC[6]CuH)(CHHN)(H)2	H(CCHN)	109.5452	0.062	4	109.5452	0.004	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(NC[6a]CuC)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(NC[6a]CuC)(CHHN)(H)2	H(CCHN)	110.1660	0.068	4	110.1660	0.005	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	109.8711	1.162	188	109.8711	1.351	188	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	109.8394	1.002	397	109.8394	1.003	397	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CHHN)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	109.9695	0.423	33	109.9695	0.179	33	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	C(NCuHH)(CHHN)(H)2	C(NCuCC)(CHHN)(H)2	H(CCHN)	110.0020	0.426	57	110.0020	0.182	57	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	C(NCuHH)(CHHN)(H)2	C(NCuCH)(CHHN)(H)2	H(CCHN)	110.0460	0.247	33	110.0460	0.061	33	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CHHN)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	C(NCuHH)(CHHN)(H)2	C(NCuHH)(CHHN)(H)2	H(CCHN)	109.8898	0.895	45	109.8898	0.801	45	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuLiC)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	C(NCuLiC)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	109.5329	0.098	7	109.5329	0.010	7	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NEuCC)(CHHN)(H)2	C(NEuCC)(CHHN)(H)2	H(CCHN)	C(NEuCC)(CHHN)(H)2	C(NEuCC)(CHHN)(H)2	H(CCHN)	108.9816	0.131	11	108.9816	0.017	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NEuCH)(CHHN)(H)2	C(NEuCH)(CHHN)(H)2	H(CCHN)	C(NEuCH)(CHHN)(H)2	C(NEuCH)(CHHN)(H)2	H(CCHN)	109.4681	0.800	8	109.4681	0.640	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NEuCH)(CHHN)(H)2	C(NEuHH)(CHHN)(H)2	H(CCHN)	C(NEuCH)(CHHN)(H)2	C(NEuHH)(CHHN)(H)2	H(CCHN)	109.6297	0.414	13	109.6297	0.172	13	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NEuHH)(CHHN)(H)2	C(NEuCH)(CHHN)(H)2	H(CCHN)	C(NEuHH)(CHHN)(H)2	C(NEuCH)(CHHN)(H)2	H(CCHN)	109.5765	0.277	15	109.5765	0.076	15	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	109.3361	0.729	1167	109.3361	0.532	1167	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	109.5771	0.356	14	109.5771	0.127	14	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHN)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHN)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	109.2353	0.083	10	109.2353	0.007	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CHHN)(H)2	C(NC[6a]FeC)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CHHN)(H)2	C(NC[6a]FeC)(CHHN)(H)2	H(CCHN)	109.4128	0.133	4	109.4128	0.018	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	109.7286	0.372	15	109.7286	0.138	15	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	109.9754	0.848	257	109.9754	0.719	257	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CHHN)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CHHN)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	110.1767	0.084	4	110.1767	0.007	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	C(NFeHH)(CHHN)(H)2	C(NFeCC)(CHHN)(H)2	H(CCHN)	109.7213	0.262	10	109.7213	0.069	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	C(NFeHH)(CHHN)(H)2	C(NFeCH)(CHHN)(H)2	H(CCHN)	109.6472	0.349	4	109.6472	0.122	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CHHN)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	C(NFeHH)(CHHN)(H)2	C(NFeHH)(CHHN)(H)2	H(CCHN)	109.8167	0.297	100	109.8167	0.088	100	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NHgCC)(CHHN)(H)2	C(NHgCC)(CHHN)(H)2	H(CCHN)	C(NHgCC)(CHHN)(H)2	C(NHgCC)(CHHN)(H)2	H(CCHN)	108.3337	0.542	8	108.3337	0.294	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NHgCC)(CHHN)(H)2	C(NHgCH)(CHHN)(H)2	H(CCHN)	C(NHgCC)(CHHN)(H)2	C(NHgCH)(CHHN)(H)2	H(CCHN)	108.8397	0.369	15	108.8397	0.136	15	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NHgCH)(CHHN)(H)2	C(NHgCC)(CHHN)(H)2	H(CCHN)	C(NHgCH)(CHHN)(H)2	C(NHgCC)(CHHN)(H)2	H(CCHN)	109.0574	0.373	14	109.0574	0.139	14	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NHgCH)(CHHN)(H)2	C(NHgHH)(CHHN)(H)2	H(CCHN)	C(NHgCH)(CHHN)(H)2	C(NHgHH)(CHHN)(H)2	H(CCHN)	109.4585	0.257	4	109.4585	0.066	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NHgHH)(CHHN)(H)2	C(NHgCH)(CHHN)(H)2	H(CCHN)	C(NHgHH)(CHHN)(H)2	C(NHgCH)(CHHN)(H)2	H(CCHN)	109.4927	0.041	3	109.4927	0.002	3	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NIrCC)(CHHN)(H)2	C(NIrCC)(CHHN)(H)2	H(CCHN)	C(NIrCC)(CHHN)(H)2	C(NIrCC)(CHHN)(H)2	H(CCHN)	109.1022	0.284	8	109.1022	0.081	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NIrCC)(CHHN)(H)2	C(NIrCH)(CHHN)(H)2	H(CCHN)	C(NIrCC)(CHHN)(H)2	C(NIrCH)(CHHN)(H)2	H(CCHN)	109.1478	0.255	10	109.1478	0.065	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NIrCH)(CHHN)(H)2	C(NIrCC)(CHHN)(H)2	H(CCHN)	C(NIrCH)(CHHN)(H)2	C(NIrCC)(CHHN)(H)2	H(CCHN)	109.6933	0.243	10	109.6933	0.059	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NIrCH)(CHHN)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	C(NIrCH)(CHHN)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	109.6887	0.171	4	109.6887	0.029	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NIrHH)(CHHN)(H)2	C(NIrCH)(CHHN)(H)2	H(CCHN)	C(NIrHH)(CHHN)(H)2	C(NIrCH)(CHHN)(H)2	H(CCHN)	109.7553	0.109	4	109.7553	0.012	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NIrHH)(CHHN)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	C(NIrHH)(CHHN)(H)2	C(NIrHH)(CHHN)(H)2	H(CCHN)	109.9382	0.189	13	109.9382	0.036	13	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLi2C)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	C(NLi2C)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	108.6959	0.625	16	108.6959	0.391	16	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCC)(CHHN)(H)2	C(NCuLiC)(CHHN)(H)2	H(CCHN)	C(NLiCC)(CHHN)(H)2	C(NCuLiC)(CHHN)(H)2	H(CCHN)	109.0771	0.134	7	109.0771	0.018	7	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCC)(CHHN)(H)2	C(NLi2C)(CHHN)(H)2	H(CCHN)	C(NLiCC)(CHHN)(H)2	C(NLi2C)(CHHN)(H)2	H(CCHN)	108.8326	0.429	15	108.8326	0.184	15	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCC)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	C(NLiCC)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	109.0352	0.718	559	109.0352	0.516	559	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCC)(CHHN)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	C(NLiCC)(CHHN)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	109.3660	0.204	4	109.3660	0.042	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCC)(CHHN)(H)2	C(NLiHH)(CHHN)(H)2	H(CCHN)	C(NLiCC)(CHHN)(H)2	C(NLiHH)(CHHN)(H)2	H(CCHN)	109.4125	0.065	4	109.4125	0.004	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCH)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	C(NLiCH)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	109.8193	0.248	4	109.8193	0.061	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCH)(CHHN)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	C(NLiCH)(CHHN)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	109.3815	0.583	60	109.3815	0.340	60	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiCH)(CHHN)(H)2	C(NLiHH)(CHHN)(H)2	H(CCHN)	C(NLiCH)(CHHN)(H)2	C(NLiHH)(CHHN)(H)2	H(CCHN)	109.6315	0.025	2	109.6315	0.001	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiHH)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	C(NLiHH)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	109.9405	0.062	4	109.9405	0.004	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLiHH)(CHHN)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	C(NLiHH)(CHHN)(H)2	C(NLiCH)(CHHN)(H)2	H(CCHN)	109.7625	0.026	2	109.7625	0.001	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMg2C)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	C(NMg2C)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	107.5817	1.013	4	107.5817	1.026	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMg2H)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	C(NMg2H)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	109.6290	0.040	2	109.6290	0.002	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMgCC)(CHHN)(H)2	C(NAlMgC)(CHHN)(H)2	H(CCHN)	C(NMgCC)(CHHN)(H)2	C(NAlMgC)(CHHN)(H)2	H(CCHN)	109.4448	0.156	15	109.4448	0.024	15	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMgCC)(CHHN)(H)2	C(NMg2C)(CHHN)(H)2	H(CCHN)	C(NMgCC)(CHHN)(H)2	C(NMg2C)(CHHN)(H)2	H(CCHN)	109.8363	0.349	4	109.8363	0.122	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMgCC)(CHHN)(H)2	C(NMg2H)(CHHN)(H)2	H(CCHN)	C(NMgCC)(CHHN)(H)2	C(NMg2H)(CHHN)(H)2	H(CCHN)	108.9210	0.000	1	108.9210	0.000	1	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMgCC)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	C(NMgCC)(CHHN)(H)2	C(NMgCC)(CHHN)(H)2	H(CCHN)	109.3429	0.564	183	109.3429	0.319	183	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMgCH)(CHHN)(H)2	C(NMgCH)(CHHN)(H)2	H(CCHN)	C(NMgCH)(CHHN)(H)2	C(NMgCH)(CHHN)(H)2	H(CCHN)	109.8154	0.210	11	109.8154	0.044	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMgHH)(CHHN)(H)2	C(NMgHH)(CHHN)(H)2	H(CCHN)	C(NMgHH)(CHHN)(H)2	C(NMgHH)(CHHN)(H)2	H(CCHN)	109.6190	0.010	2	109.6190	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(NC[6a]MnH)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(NC[6a]MnH)(CHHN)(H)2	H(CCHN)	109.4907	0.089	3	109.4907	0.008	3	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	109.2599	0.553	270	109.2599	0.305	270	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	109.4070	0.162	20	109.4070	0.026	20	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	C(NMnCC)(CHHN)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	109.3784	0.734	21	109.3784	0.539	21	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHN)(H)2	C(NC[6]MnH)(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHN)(H)2	C(NC[6]MnH)(CHHN)(H)2	H(CCHN)	110.0070	0.081	8	110.0070	0.006	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	109.6897	0.328	21	109.6897	0.108	21	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	109.8817	0.970	332	109.8817	0.942	332	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHN)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHN)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	109.4396	0.357	58	109.4396	0.127	58	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnHH)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	C(NMnHH)(CHHN)(H)2	C(NMnCC)(CHHN)(H)2	H(CCHN)	110.1487	0.902	19	110.1487	0.813	19	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnHH)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	C(NMnHH)(CHHN)(H)2	C(NMnCH)(CHHN)(H)2	H(CCHN)	109.5181	0.409	58	109.5181	0.167	58	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnHH)(CHHN)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	C(NMnHH)(CHHN)(H)2	C(NMnHH)(CHHN)(H)2	H(CCHN)	109.6013	0.531	187	109.6013	0.282	187	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMoCC)(CHHN)(H)2	C(NMoCC)(CHHN)(H)2	H(CCHN)	C(NMoCC)(CHHN)(H)2	C(NMoCC)(CHHN)(H)2	H(CCHN)	109.2575	0.526	42	109.2575	0.277	42	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMoCC)(CHHN)(H)2	C(NMoCH)(CHHN)(H)2	H(CCHN)	C(NMoCC)(CHHN)(H)2	C(NMoCH)(CHHN)(H)2	H(CCHN)	109.4635	0.122	10	109.4635	0.015	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMoCH)(CHHN)(H)2	C(NMoCC)(CHHN)(H)2	H(CCHN)	C(NMoCH)(CHHN)(H)2	C(NMoCC)(CHHN)(H)2	H(CCHN)	109.5023	0.119	12	109.5023	0.014	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMoCH)(CHHN)(H)2	C(NMoCH)(CHHN)(H)2	H(CCHN)	C(NMoCH)(CHHN)(H)2	C(NMoCH)(CHHN)(H)2	H(CCHN)	109.9945	1.217	27	109.9945	1.480	27	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMoCH)(CHHN)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	C(NMoCH)(CHHN)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	109.3750	0.007	2	109.3750	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMoHH)(CHHN)(H)2	C(NMoCH)(CHHN)(H)2	H(CCHN)	C(NMoHH)(CHHN)(H)2	C(NMoCH)(CHHN)(H)2	H(CCHN)	109.4070	0.016	2	109.4070	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMoHH)(CHHN)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	C(NMoHH)(CHHN)(H)2	C(NMoHH)(CHHN)(H)2	H(CCHN)	109.9175	0.133	22	109.9175	0.018	22	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	109.3008	1.463	949	109.3008	2.141	949	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	109.2166	1.518	110	109.2166	2.305	110	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(NNiCS)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(NNiCS)(CHHN)(H)2	H(CCHN)	109.3837	0.269	4	109.3837	0.073	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	109.4018	1.942	95	109.4018	3.770	95	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(NC[6]NiH)(CHHN)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(NC[6]NiH)(CHHN)(H)2	H(CCHN)	109.3287	0.074	7	109.3287	0.005	7	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	109.7081	1.323	114	109.7081	1.751	114	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	109.7661	0.844	748	109.7661	0.712	748	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	109.5877	0.751	193	109.5877	0.565	193	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCS)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(NNiCS)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	109.3547	0.179	4	109.3547	0.032	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiDD)(CHHN)(H)2	C(NNiDD)(CHHN)(H)2	H(CCHN)	C(NNiDD)(CHHN)(H)2	C(NNiDD)(CHHN)(H)2	H(CCHN)	109.8834	0.201	12	109.8834	0.040	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(H)2	C(NC[6a]NiH)(CHHN)(H)2	H(CCHN)	C(NNiHH)(CHHN)(H)2	C(NC[6a]NiH)(CHHN)(H)2	H(CCHN)	109.9670	0.092	4	109.9670	0.008	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	C(NNiHH)(CHHN)(H)2	C(NNiCC)(CHHN)(H)2	H(CCHN)	109.2463	2.062	93	109.2463	4.250	93	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(NNiHH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	109.6859	0.453	190	109.6859	0.205	190	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	C(NNiHH)(CHHN)(H)2	C(NNiHH)(CHHN)(H)2	H(CCHN)	109.8834	1.158	456	109.8834	1.341	456	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NOsCC)(CHHN)(H)2	C(NOsCC)(CHHN)(H)2	H(CCHN)	C(NOsCC)(CHHN)(H)2	C(NOsCC)(CHHN)(H)2	H(CCHN)	109.4425	0.538	8	109.4425	0.290	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NOsCH)(CHHN)(H)2	C(NOsCH)(CHHN)(H)2	H(CCHN)	C(NOsCH)(CHHN)(H)2	C(NOsCH)(CHHN)(H)2	H(CCHN)	109.5198	0.229	16	109.5198	0.052	16	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NOsCH)(CHHN)(H)2	C(NOsHH)(CHHN)(H)2	H(CCHN)	C(NOsCH)(CHHN)(H)2	C(NOsHH)(CHHN)(H)2	H(CCHN)	109.3217	0.184	3	109.3217	0.034	3	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NOsHH)(CHHN)(H)2	C(NOsCH)(CHHN)(H)2	H(CCHN)	C(NOsHH)(CHHN)(H)2	C(NOsCH)(CHHN)(H)2	H(CCHN)	109.6123	0.113	4	109.6123	0.013	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NOsHH)(CHHN)(H)2	C(NOsHH)(CHHN)(H)2	H(CCHN)	C(NOsHH)(CHHN)(H)2	C(NOsHH)(CHHN)(H)2	H(CCHN)	109.8949	0.662	51	109.8949	0.439	51	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CHHN)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	C(NPdCC)(CHHN)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	109.3610	1.454	336	109.3610	2.115	336	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CHHN)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	C(NPdCC)(CHHN)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	109.5453	0.140	76	109.5453	0.020	76	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CHHN)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CHHN)(H)2	C(NPdCC)(CHHN)(H)2	H(CCHN)	110.4469	0.124	72	110.4469	0.015	72	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CHHN)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CHHN)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	110.3273	0.355	24	110.3273	0.126	24	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CHHN)(H)2	C(NPdHH)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CHHN)(H)2	C(NPdHH)(CHHN)(H)2	H(CCHN)	110.3415	0.563	14	110.3415	0.317	14	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPdHH)(CHHN)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	C(NPdHH)(CHHN)(H)2	C(NPdCH)(CHHN)(H)2	H(CCHN)	110.2353	0.859	14	110.2353	0.738	14	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPdHH)(CHHN)(H)2	C(NPdHH)(CHHN)(H)2	H(CCHN)	C(NPdHH)(CHHN)(H)2	C(NPdHH)(CHHN)(H)2	H(CCHN)	109.9112	0.743	130	109.9112	0.552	130	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtCC)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	C(NPtCC)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	109.7265	0.587	76	109.7265	0.344	76	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtCC)(CHHN)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	C(NPtCC)(CHHN)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	109.0530	0.018	2	109.0530	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtCC)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	C(NPtCC)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	109.5796	0.325	11	109.5796	0.105	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtCH)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	C(NPtCH)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	109.7300	0.010	2	109.7300	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtCH)(CHHN)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	C(NPtCH)(CHHN)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	110.0285	0.164	6	110.0285	0.027	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtCH)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	C(NPtCH)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	110.0812	0.761	45	110.0812	0.579	45	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtHH)(CHHN)(H)2	C(NC[6]PtH)(CHHN)(H)2	H(CCHN)	C(NPtHH)(CHHN)(H)2	C(NC[6]PtH)(CHHN)(H)2	H(CCHN)	110.3110	0.010	2	110.3110	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtHH)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	C(NPtHH)(CHHN)(H)2	C(NPtCC)(CHHN)(H)2	H(CCHN)	110.0373	0.277	12	110.0373	0.077	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtHH)(CHHN)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	C(NPtHH)(CHHN)(H)2	C(NPtCH)(CHHN)(H)2	H(CCHN)	109.9192	0.431	44	109.9192	0.186	44	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NPtHH)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	C(NPtHH)(CHHN)(H)2	C(NPtHH)(CHHN)(H)2	H(CCHN)	109.9993	1.004	99	109.9993	1.008	99	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CHHN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	C(NReCC)(CHHN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	109.6090	0.077	10	109.6090	0.006	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CHHN)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	C(NReCC)(CHHN)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	109.4857	0.119	12	109.4857	0.014	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReCH)(CHHN)(H)2	C(NReCH)(CHHN)(H)2	H(CCHN)	C(NReCH)(CHHN)(H)2	C(NReCH)(CHHN)(H)2	H(CCHN)	109.5326	1.007	28	109.5326	1.013	28	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReCH)(CHHN)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	C(NReCH)(CHHN)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	109.7464	0.107	9	109.7464	0.011	9	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReCS)(CHHN)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	C(NReCS)(CHHN)(H)2	C(NReHH)(CHHN)(H)2	H(CCHN)	109.3213	0.180	12	109.3213	0.032	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReHH)(CHHN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	C(NReHH)(CHHN)(H)2	C(NReCC)(CHHN)(H)2	H(CCHN)	109.9763	0.239	12	109.9763	0.057	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReHH)(CHHN)(H)2	C(NReCH)(CHHN)(H)2	H(CCHN)	C(NReHH)(CHHN)(H)2	C(NReCH)(CHHN)(H)2	H(CCHN)	110.1290	0.102	10	110.1290	0.010	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NReHH)(CHHN)(H)2	C(NReCS)(CHHN)(H)2	H(CCHN)	C(NReHH)(CHHN)(H)2	C(NReCS)(CHHN)(H)2	H(CCHN)	109.7156	0.151	9	109.7156	0.023	9	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRhCC)(CHHN)(H)2	C(NRhCC)(CHHN)(H)2	H(CCHN)	C(NRhCC)(CHHN)(H)2	C(NRhCC)(CHHN)(H)2	H(CCHN)	109.1539	1.107	50	109.1539	1.225	50	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRhCC)(CHHN)(H)2	C(NRhCH)(CHHN)(H)2	H(CCHN)	C(NRhCC)(CHHN)(H)2	C(NRhCH)(CHHN)(H)2	H(CCHN)	109.0765	0.291	8	109.0765	0.085	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRhCC)(CHHN)(H)2	C(NRhHH)(CHHN)(H)2	H(CCHN)	C(NRhCC)(CHHN)(H)2	C(NRhHH)(CHHN)(H)2	H(CCHN)	109.2855	0.005	2	109.2855	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRhCH)(CHHN)(H)2	C(NRhCC)(CHHN)(H)2	H(CCHN)	C(NRhCH)(CHHN)(H)2	C(NRhCC)(CHHN)(H)2	H(CCHN)	109.3044	0.169	7	109.3044	0.028	7	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRhCH)(CHHN)(H)2	C(NRhCH)(CHHN)(H)2	H(CCHN)	C(NRhCH)(CHHN)(H)2	C(NRhCH)(CHHN)(H)2	H(CCHN)	110.4869	1.576	28	110.4869	2.482	28	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRhHH)(CHHN)(H)2	C(NRhCC)(CHHN)(H)2	H(CCHN)	C(NRhHH)(CHHN)(H)2	C(NRhCC)(CHHN)(H)2	H(CCHN)	110.2060	0.010	2	110.2060	0.000	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRhHH)(CHHN)(H)2	C(NRhHH)(CHHN)(H)2	H(CCHN)	C(NRhHH)(CHHN)(H)2	C(NRhHH)(CHHN)(H)2	H(CCHN)	110.0242	0.032	4	110.0242	0.001	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	109.4146	0.478	132	109.4146	0.228	132	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CHHN)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CHHN)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	109.4128	0.089	10	109.4128	0.008	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CHHN)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CHHN)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	109.5130	0.339	10	109.5130	0.115	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CHHN)(H)2	C(NRuHP)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CHHN)(H)2	C(NRuHP)(CHHN)(H)2	H(CCHN)	108.7515	0.028	4	108.7515	0.001	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	109.9184	0.355	9	109.9184	0.126	9	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHN)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHN)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	109.6455	1.164	64	109.6455	1.355	64	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHN)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHN)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	109.9153	1.638	6	109.9153	2.682	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	C(NRuHH)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	109.3449	0.219	10	109.3449	0.048	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CHHN)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	C(NRuHH)(CHHN)(H)2	C(NRuCH)(CHHN)(H)2	H(CCHN)	110.2263	1.184	6	110.2263	1.403	6	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CHHN)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	C(NRuHH)(CHHN)(H)2	C(NRuHH)(CHHN)(H)2	H(CCHN)	110.3233	1.064	68	110.3233	1.132	68	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NRuHP)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	C(NRuHP)(CHHN)(H)2	C(NRuCC)(CHHN)(H)2	H(CCHN)	109.2977	0.358	4	109.2977	0.128	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSbCC)(CHHN)(H)2	C(NSbCC)(CHHN)(H)2	H(CCHN)	C(NSbCC)(CHHN)(H)2	C(NSbCC)(CHHN)(H)2	H(CCHN)	109.2215	0.062	4	109.2215	0.004	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSiSrC)(CHHN)(H)2	C(NSrCC)(CHHN)(H)2	H(CCHN)	C(NSiSrC)(CHHN)(H)2	C(NSrCC)(CHHN)(H)2	H(CCHN)	108.8290	0.091	4	108.8290	0.008	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSmCH)(CHHN)(H)2	C(NSmCH)(CHHN)(H)2	H(CCHN)	C(NSmCH)(CHHN)(H)2	C(NSmCH)(CHHN)(H)2	H(CCHN)	109.6728	0.252	8	109.6728	0.064	8	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSmCH)(CHHN)(H)2	C(NSmHH)(CHHN)(H)2	H(CCHN)	C(NSmCH)(CHHN)(H)2	C(NSmHH)(CHHN)(H)2	H(CCHN)	109.5807	0.687	16	109.5807	0.471	16	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSmHH)(CHHN)(H)2	C(NSmCH)(CHHN)(H)2	H(CCHN)	C(NSmHH)(CHHN)(H)2	C(NSmCH)(CHHN)(H)2	H(CCHN)	108.9794	1.148	14	108.9794	1.317	14	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSmHH)(CHHN)(H)2	C(NSmHH)(CHHN)(H)2	H(CCHN)	C(NSmHH)(CHHN)(H)2	C(NSmHH)(CHHN)(H)2	H(CCHN)	109.3301	0.356	14	109.3301	0.127	14	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSrCC)(CHHN)(H)2	C(NSiSrC)(CHHN)(H)2	H(CCHN)	C(NSrCC)(CHHN)(H)2	C(NSiSrC)(CHHN)(H)2	H(CCHN)	108.8135	0.086	4	108.8135	0.007	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NSrCC)(CHHN)(H)2	C(NSrCC)(CHHN)(H)2	H(CCHN)	C(NSrCC)(CHHN)(H)2	C(NSrCC)(CHHN)(H)2	H(CCHN)	108.8863	0.065	12	108.8863	0.004	12	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NTcCC)(CHHN)(H)2	C(NTcCC)(CHHN)(H)2	H(CCHN)	C(NTcCC)(CHHN)(H)2	C(NTcCC)(CHHN)(H)2	H(CCHN)	109.3536	0.426	14	109.3536	0.181	14	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NTcCH)(CHHN)(H)2	C(NTcCH)(CHHN)(H)2	H(CCHN)	C(NTcCH)(CHHN)(H)2	C(NTcCH)(CHHN)(H)2	H(CCHN)	109.5155	0.206	11	109.5155	0.042	11	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NTiCC)(CHHN)(H)2	C(NTiCC)(CHHN)(H)2	H(CCHN)	C(NTiCC)(CHHN)(H)2	C(NTiCC)(CHHN)(H)2	H(CCHN)	109.4253	0.076	4	109.4253	0.006	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZn2C)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(NZn2C)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	109.5185	0.008	4	109.5185	0.000	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZn2H)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(NZn2H)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	109.7740	0.025	2	109.7740	0.001	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(NC[6a]ZnH)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(NC[6a]ZnH)(CHHN)(H)2	H(CCHN)	109.4625	0.115	10	109.4625	0.013	10	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(NZn2H)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(NZn2H)(CHHN)(H)2	H(CCHN)	109.1920	0.037	2	109.1920	0.001	2	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	109.2378	1.050	401	109.2378	1.102	401	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	109.4570	0.976	94	109.4570	0.954	94	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CHHN)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	C(NZnCC)(CHHN)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	109.5691	0.151	39	109.5691	0.023	39	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(NZn2C)(CHHN)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(NZn2C)(CHHN)(H)2	H(CCHN)	109.5840	0.008	4	109.5840	0.000	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	109.9855	1.052	92	109.9855	1.107	92	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	109.6301	0.268	140	109.6301	0.072	140	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(NZnCO)(CHHN)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(NZnCO)(CHHN)(H)2	H(CCHN)	109.7075	0.208	4	109.7075	0.043	4	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCH)(CHHN)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	C(NZnCH)(CHHN)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	109.9324	0.314	42	109.9324	0.099	42	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnCO)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(NZnCO)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	109.6720	0.038	3	109.6720	0.001	3	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	C(NZnHH)(CHHN)(H)2	C(NZnCC)(CHHN)(H)2	H(CCHN)	109.7459	0.193	38	109.7459	0.037	38	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	C(NZnHH)(CHHN)(H)2	C(NZnCH)(CHHN)(H)2	H(CCHN)	109.6961	0.295	42	109.6961	0.087	42	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	C(NZnHH)(CHHN)(H)2	C(NZnHH)(CHHN)(H)2	H(CCHN)	109.7027	0.830	138	109.7027	0.689	138	109.6245	0.952	15063	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(NBaCC)(CHHO)(H)2	C(OBa2Co)(CHHN)(H)2	H(CCHN)	C(NBaCC)(CHHO)(H)2	C(OBa2Co)(CHHN)(H)2	H(CCHN)	109.0890	0.007	2	109.0890	0.000	2	108.9522	1.672	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHO)(H)2	C(OBa2Co)(CHHN)(H)2	H(CCHN)	C(NCoCC)(CHHO)(H)2	C(OBa2Co)(CHHN)(H)2	H(CCHN)	110.0775	0.006	2	110.0775	0.000	2	108.9522	1.672	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CHHO)(H)2	C(OCdCoCu)(CHHN)(H)2	H(CCHN)	C(NCuCC)(CHHO)(H)2	C(OCdCoCu)(CHHN)(H)2	H(CCHN)	107.6900	1.614	2	107.6900	2.604	2	108.9522	1.672	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NAlSiC)(CHHP)(H)2	C(PAlCC)(CHHN)(H)2	H(CCHN)	C(NAlSiC)(CHHP)(H)2	C(PAlCC)(CHHN)(H)2	H(CCHN)	109.1625	0.030	2	109.1625	0.001	2	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6]RuH)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	C(NC[6]RuH)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	109.2155	0.035	2	109.2155	0.001	2	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CoH)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	C(NC[6a]CoH)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	109.6830	0.008	2	109.6830	0.000	2	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CoH)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	C(NC[6a]CoH)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	109.8467	0.062	3	109.8467	0.004	3	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]NiC)(CHHP)(H)2	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHN)	C(NC[6a]NiC)(CHHP)(H)2	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHN)	109.7525	0.026	4	109.7525	0.001	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NC[6a]PdC)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	C(NC[6a]PdC)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	109.6063	0.075	3	109.6063	0.006	3	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCo2C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	C(NCo2C)(CHHP)(H)2	C(PC[6a]2Co)(CHHN)(H)2	H(CCHN)	110.1145	0.006	2	110.1145	0.000	2	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCo2C)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	C(NCo2C)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	109.0402	0.209	6	109.0402	0.044	6	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CHHP)(H)2	C(PC[6]2Co)(CHHN)(H)2	H(CCHN)	C(NCoCH)(CHHP)(H)2	C(PC[6]2Co)(CHHN)(H)2	H(CCHN)	109.8294	0.234	7	109.8294	0.055	7	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	C(NCoCH)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	109.6329	0.247	43	109.6329	0.061	43	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCoSiC)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	C(NCoSiC)(CHHP)(H)2	C(PCoCC)(CHHN)(H)2	H(CCHN)	108.8965	0.248	15	108.8965	0.061	15	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CHHP)(H)2	C(PC[6]2Cr)(CHHN)(H)2	H(CCHN)	C(NCrCH)(CHHP)(H)2	C(PC[6]2Cr)(CHHN)(H)2	H(CCHN)	109.5113	0.039	6	109.5113	0.002	6	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CHHP)(H)2	C(PC[6a]2Cr)(CHHN)(H)2	H(CCHN)	C(NCrCH)(CHHP)(H)2	C(PC[6a]2Cr)(CHHN)(H)2	H(CCHN)	109.5330	0.077	4	109.5330	0.006	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCrSiC)(CHHP)(H)2	C(PCrCC)(CHHN)(H)2	H(CCHN)	C(NCrSiC)(CHHP)(H)2	C(PCrCC)(CHHN)(H)2	H(CCHN)	108.5776	0.220	14	108.5776	0.049	14	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHP)(H)2	C(PCuCC)(CHHN)(H)2	H(CCHN)	C(NCuCH)(CHHP)(H)2	C(PCuCC)(CHHN)(H)2	H(CCHN)	109.5095	0.279	6	109.5095	0.078	6	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeBC)(CHHP)(H)2	C(PC[6]2Fe)(CHHN)(H)2	H(CCHN)	C(NFeBC)(CHHP)(H)2	C(PC[6]2Fe)(CHHN)(H)2	H(CCHN)	108.8872	0.112	4	108.8872	0.013	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeBC)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	C(NFeBC)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	109.1220	0.038	4	109.1220	0.001	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	108.8635	0.218	4	108.8635	0.048	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeCC)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	C(NFeCC)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	109.3429	0.127	17	109.3429	0.016	17	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	109.8331	0.339	12	109.8331	0.115	12	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	C(NFeCH)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	109.7640	0.239	21	109.7640	0.057	21	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeHH)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	C(NFeHH)(CHHP)(H)2	C(PC[6a]2Fe)(CHHN)(H)2	H(CCHN)	110.1715	0.132	4	110.1715	0.017	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NFeSiC)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	C(NFeSiC)(CHHP)(H)2	C(PFeCC)(CHHN)(H)2	H(CCHN)	108.9155	0.005	2	108.9155	0.000	2	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NIrCH)(CHHP)(H)2	C(PC[6a]2Ir)(CHHN)(H)2	H(CCHN)	C(NIrCH)(CHHP)(H)2	C(PC[6a]2Ir)(CHHN)(H)2	H(CCHN)	110.1038	0.026	4	110.1038	0.001	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NIrCH)(CHHP)(H)2	C(PIrCC)(CHHN)(H)2	H(CCHN)	C(NIrCH)(CHHP)(H)2	C(PIrCC)(CHHN)(H)2	H(CCHN)	109.6456	0.213	33	109.6456	0.045	33	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NLi2C)(CHHP)(H)2	C(PLiCC)(CHHN)(H)2	H(CCHN)	C(NLi2C)(CHHP)(H)2	C(PLiCC)(CHHN)(H)2	H(CCHN)	108.9460	0.593	8	108.9460	0.351	8	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHP)(H)2	C(PC[3x6]2Mn)(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHP)(H)2	C(PC[3x6]2Mn)(CHHN)(H)2	H(CCHN)	109.9911	0.134	7	109.9911	0.018	7	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NMnCH)(CHHP)(H)2	C(PMnCC)(CHHN)(H)2	H(CCHN)	C(NMnCH)(CHHP)(H)2	C(PMnCC)(CHHN)(H)2	H(CCHN)	109.9636	0.137	17	109.9636	0.019	17	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NMoCH)(CHHP)(H)2	C(PC[6a]2Mo)(CHHN)(H)2	H(CCHN)	C(NMoCH)(CHHP)(H)2	C(PC[6a]2Mo)(CHHN)(H)2	H(CCHN)	109.0065	0.192	4	109.0065	0.037	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NMoCH)(CHHP)(H)2	C(PMoCC)(CHHN)(H)2	H(CCHN)	C(NMoCH)(CHHP)(H)2	C(PMoCC)(CHHN)(H)2	H(CCHN)	109.6790	0.196	4	109.6790	0.038	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHP)(H)2	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHP)(H)2	C(PC[6a]2Ni)(CHHN)(H)2	H(CCHN)	109.1635	0.194	11	109.1635	0.037	11	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CHHP)(H)2	C(PNiCC)(CHHN)(H)2	H(CCHN)	C(NNiCH)(CHHP)(H)2	C(PNiCC)(CHHN)(H)2	H(CCHN)	109.6803	0.202	39	109.6803	0.041	39	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NOsCH)(CHHP)(H)2	C(POsCC)(CHHN)(H)2	H(CCHN)	C(NOsCH)(CHHP)(H)2	C(POsCC)(CHHN)(H)2	H(CCHN)	109.6127	0.283	18	109.6127	0.080	18	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CHHP)(H)2	C(PPdCC)(CHHN)(H)2	H(CCHN)	C(NPdCC)(CHHP)(H)2	C(PPdCC)(CHHN)(H)2	H(CCHN)	109.2108	0.076	4	109.2108	0.006	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	109.9458	0.095	13	109.9458	0.009	13	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CHHP)(H)2	C(PPdCC)(CHHN)(H)2	H(CCHN)	C(NPdCH)(CHHP)(H)2	C(PPdCC)(CHHN)(H)2	H(CCHN)	109.5944	0.078	8	109.5944	0.006	8	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NPdHH)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	C(NPdHH)(CHHP)(H)2	C(PC[6a]2Pd)(CHHN)(H)2	H(CCHN)	109.1985	1.228	4	109.1985	1.509	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NPtCC)(CHHP)(H)2	C(PPtCC)(CHHN)(H)2	H(CCHN)	C(NPtCC)(CHHP)(H)2	C(PPtCC)(CHHN)(H)2	H(CCHN)	109.0296	0.236	19	109.0296	0.056	19	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NReCC)(CHHP)(H)2	C(PC[6a]2Re)(CHHN)(H)2	H(CCHN)	C(NReCC)(CHHP)(H)2	C(PC[6a]2Re)(CHHN)(H)2	H(CCHN)	109.0732	0.085	11	109.0732	0.007	11	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NReCH)(CHHP)(H)2	C(PC[6a]2Re)(CHHN)(H)2	H(CCHN)	C(NReCH)(CHHP)(H)2	C(PC[6a]2Re)(CHHN)(H)2	H(CCHN)	108.8610	1.912	5	108.8610	3.657	5	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NReCH)(CHHP)(H)2	C(PC[6a]C[6]Re)(CHHN)(H)2	H(CCHN)	C(NReCH)(CHHP)(H)2	C(PC[6a]C[6]Re)(CHHN)(H)2	H(CCHN)	107.1700	0.017	2	107.1700	0.000	2	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NReCH)(CHHP)(H)2	C(PReCC)(CHHN)(H)2	H(CCHN)	C(NReCH)(CHHP)(H)2	C(PReCC)(CHHN)(H)2	H(CCHN)	109.8111	0.133	16	109.8111	0.018	16	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRhCH)(CHHP)(H)2	C(PRhCC)(CHHN)(H)2	H(CCHN)	C(NRhCH)(CHHP)(H)2	C(PRhCC)(CHHN)(H)2	H(CCHN)	109.9373	0.032	3	109.9373	0.001	3	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuBC)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	C(NRuBC)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	108.9923	0.053	3	108.9923	0.003	3	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	109.1890	0.214	19	109.1890	0.046	19	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	108.8019	0.432	9	108.8019	0.187	9	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHP)(H)2	C(PC[6a]2O)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHP)(H)2	C(PC[6a]2O)(CHHN)(H)2	H(CCHN)	109.6300	0.310	6	109.6300	0.096	6	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHP)(H)2	C(PC[6a]2Ru)(CHHN)(H)2	H(CCHN)	110.0353	0.490	16	110.0353	0.240	16	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	109.4963	0.287	27	109.4963	0.083	27	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	C(NRuHH)(CHHP)(H)2	C(PRuCC)(CHHN)(H)2	H(CCHN)	110.1180	0.116	4	110.1180	0.014	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NSiTiC)(CHHP)(H)2	C(PTiCC)(CHHN)(H)2	H(CCHN)	C(NSiTiC)(CHHP)(H)2	C(PTiCC)(CHHN)(H)2	H(CCHN)	109.0485	0.086	4	109.0485	0.007	4	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NSiZrC)(CHHP)(H)2	C(PZrCC)(CHHN)(H)2	H(CCHN)	C(NSiZrC)(CHHP)(H)2	C(PZrCC)(CHHN)(H)2	H(CCHN)	108.6400	0.017	2	108.6400	0.000	2	109.4799	0.257	507	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(NC[6]RuC)(CHHS)(H)2	C(SC[6a]RuO)(CHHN)(H)2	H(CCHN)	C(NC[6]RuC)(CHHS)(H)2	C(SC[6a]RuO)(CHHN)(H)2	H(CCHN)	109.2135	0.662	4	109.2135	0.438	4	109.5936	1.199	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CHHS)(H)2	C(SNiOO)(CHHN)(H)2	H(CCHN)	C(NNiCC)(CHHS)(H)2	C(SNiOO)(CHHN)(H)2	H(CCHN)	109.7608	1.539	8	109.7608	2.370	8	109.5936	1.199	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(NRuCC)(CHHS)(H)2	C(SC[6a]RuO)(CHHN)(H)2	H(CCHN)	C(NRuCC)(CHHS)(H)2	C(SC[6a]RuO)(CHHN)(H)2	H(CCHN)	109.3787	0.055	3	109.3787	0.003	3	109.5936	1.199	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CHHS)(H)2	C(SC[6a]Ru2)(CHHN)(H)2	H(CCHN)	C(NRuCH)(CHHS)(H)2	C(SC[6a]Ru2)(CHHN)(H)2	H(CCHN)	110.0075	0.026	2	110.0075	0.001	2	109.5936	1.199	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	H(CN[3x6]CH)	108.4080	0.351	29	108.4080	0.123	29	108.4201	0.110	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CH3)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CH3)(H)2	H(CN[3x6]CH)	108.4195	0.033	2	108.4195	0.001	2	108.4201	0.110	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CHHS)(H)2	H(CN[3x6]CH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CHHS)(H)2	H(CN[3x6]CH)	108.5960	0.006	2	108.5960	0.000	2	108.4201	0.110	33	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CN[4]CH)	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	H(CN[4]CH)	109.8510	0.004	2	109.8510	0.000	2	109.2773	0.998	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[4]C[4]2Li)(CCHH)(H)2	C(CN[4]HH)(CHHN)(H)2	H(CN[4]CH)	C(N[4]C[4]2Li)(CCHH)(H)2	C(CN[4]HH)(CHHN)(H)2	H(CN[4]CH)	108.9905	1.155	4	108.9905	1.334	4	109.2773	0.998	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuCC)(H)2	H(CN[4]CH)	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuCC)(H)2	H(CN[4]CH)	109.8430	0.025	2	109.8430	0.001	2	110.0741	0.023	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuCH)(H)2	H(CN[4]CH)	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuCH)(H)2	H(CN[4]CH)	110.1717	0.163	9	110.1717	0.027	9	110.0741	0.023	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuHH)(H)2	H(CN[4]CH)	C(N[4]C[4]2Cu)(CHHN)(H)2	C(CN[4]HH)(NCuHH)(H)2	H(CN[4]CH)	110.0325	0.065	10	110.0325	0.004	10	110.0741	0.023	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[4]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(N[4]B[4]2C)(CHHP)(H)2	C(CN[4]HH)(PC[6]2B)(H)2	H(CN[4]CH)	C(N[4]B[4]2C)(CHHP)(H)2	C(CN[4]HH)(PC[6]2B)(H)2	H(CN[4]CH)	108.9240	0.106	4	108.9240	0.011	4	108.9240	0.011	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CN[5,5]HH)(CC3)(H)2	H(CN[5,5]CH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CN[5,5]HH)(CC3)(H)2	H(CN[5,5]CH)	108.2990	0.013	2	108.2990	0.000	2	108.5506	0.044	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CN[5,5]HH)(CCHH)(H)2	H(CN[5,5]CH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CN[5,5]HH)(CCHH)(H)2	H(CN[5,5]CH)	108.6238	0.155	4	108.6238	0.024	4	108.5506	0.044	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CN[5,5]HH)(CHHO)(H)2	H(CN[5,5]CH)	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CN[5,5]HH)(CHHO)(H)2	H(CN[5,5]CH)	108.7610	0.000	1	108.7610	0.000	1	108.5506	0.044	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NH3)(H)2	H(CN[5,5]CH)	C(N[5,5]Ga[4x5]C[5]2)(CHHN)(H)2	C(CN[5,5]HH)(NH3)(H)2	H(CN[5,5]CH)	109.0560	0.034	2	109.0560	0.001	2	109.0560	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	108.2763	0.019	4	108.2763	0.000	4	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	H(CN[5]CH)	109.1960	0.027	2	109.1960	0.001	2	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.9010	0.023	2	108.9010	0.001	2	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.3752	1.733	53	108.3752	3.002	53	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	108.6265	0.174	12	108.6265	0.030	12	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CN[5]CH)	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	H(CN[5]CH)	108.3325	0.595	4	108.3325	0.354	4	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)2(H)2	H(CN[5]CH)	109.0343	0.065	4	109.0343	0.004	4	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	H(CN[5]CH)	108.5873	0.059	3	108.5873	0.004	3	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.1445	0.056	2	109.1445	0.003	2	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2Mg)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Mg)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	109.3292	0.427	5	109.3292	0.182	5	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2Zn)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Zn)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	H(CN[5]CH)	108.8257	0.153	4	108.8257	0.023	4	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C(CN[5]HH)(CBHH)(H)2	H(CN[5]CH)	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C(CN[5]HH)(CBHH)(H)2	H(CN[5]CH)	108.3545	0.036	2	108.3545	0.001	2	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(CN[5]HH)(CH3)(H)2	H(CN[5]CH)	108.0823	0.279	7	108.0823	0.078	7	108.5140	1.636	104	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2Cu)(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Cu)(CHHN)(H)2	C(CN[5]HH)(NCuCH)(H)2	H(CN[5]CH)	109.6159	0.308	12	109.6159	0.095	12	109.5755	0.150	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2Mn)(CHHN)(H)2	C(CN[5]HH)(NMnCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Mn)(CHHN)(H)2	C(CN[5]HH)(NMnCH)(H)2	H(CN[5]CH)	109.3845	0.016	2	109.3845	0.000	2	109.5755	0.150	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2Ni)(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Ni)(CHHN)(H)2	C(CN[5]HH)(NNiCH)(H)2	H(CN[5]CH)	109.5573	0.568	10	109.5573	0.323	10	109.5755	0.150	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2Ni)(CHHN)(H)2	C(CN[5]HH)(NNiHH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Ni)(CHHN)(H)2	C(CN[5]HH)(NNiHH)(H)2	H(CN[5]CH)	109.6225	0.005	2	109.6225	0.000	2	109.5755	0.150	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[5]C[5]2Ru)(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Ru)(CHHN)(H)2	C(CN[5]HH)(NRuCH)(H)2	H(CN[5]CH)	109.5685	0.033	2	109.5685	0.001	2	109.5755	0.150	28	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,6]C[5]C)(CC[5,5,6]HH)(H)2	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	H(CN[5]CH)	108.5265	0.011	4	108.5265	0.000	4	108.5265	0.000	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(H)2	H(CN[5]CH)	108.3245	0.241	4	108.3245	0.058	4	108.4387	0.066	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2H)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CN[5]HH)(H)2	H(CN[5]CH)	108.6670	0.010	2	108.6670	0.000	2	108.4387	0.066	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5,5]C[5]Ni)(CN[5]HH)(H)2	C(N[5]C[5,5]C[5]Ni)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5,5]C[5]Ni)(CN[5]HH)(H)2	C(N[5]C[5,5]C[5]Ni)(CN[5]HH)(H)2	H(CN[5]CH)	109.2797	0.491	3	109.2797	0.241	3	109.2261	0.129	23	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2Cu)(CN[5]HH)(H)2	C(N[5]C[5]2Cu)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Cu)(CN[5]HH)(H)2	C(N[5]C[5]2Cu)(CN[5]HH)(H)2	H(CN[5]CH)	109.8890	0.021	3	109.8890	0.000	3	109.2261	0.129	23	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2Mg)(CN[5]HH)(H)2	C(N[5]C[5]2Mg)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Mg)(CN[5]HH)(H)2	C(N[5]C[5]2Mg)(CN[5]HH)(H)2	H(CN[5]CH)	109.0875	0.176	4	109.0875	0.031	4	109.2261	0.129	23	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]2Mn)(CN[5]HH)(H)2	C(N[5]C[5]2Mn)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]2Mn)(CN[5]HH)(H)2	C(N[5]C[5]2Mn)(CN[5]HH)(H)2	H(CN[5]CH)	109.1325	0.243	11	109.1325	0.059	11	109.2261	0.129	23	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	H(CN[5]CH)	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	C(N[5]C[5]O[5]C)(CN[5]HH)(H)2	H(CN[5]CH)	108.9435	0.011	2	108.9435	0.000	2	109.2261	0.129	23	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CN[6,6]HH)(CCHH)(H)2	H(CN[6,6]CH)	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CN[6,6]HH)(CCHH)(H)2	H(CN[6,6]CH)	109.4460	0.014	2	109.4460	0.000	2	109.4460	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.0130	0.024	4	108.0130	0.001	4	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	108.4600	0.151	2	108.4600	0.023	2	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CCHH)(H)2	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	H(CN[6]CH)	108.8100	0.263	3	108.8100	0.069	3	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	107.9479	0.611	8	107.9479	0.373	8	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	107.9494	0.227	5	107.9494	0.051	5	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	110.3505	1.957	2	110.3505	3.828	2	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Co)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6]2Co)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	108.8027	0.011	3	108.8027	0.000	3	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cr)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cr)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.8138	1.087	12	108.8138	1.182	12	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	H(CN[6]CH)	107.8160	0.068	4	107.8160	0.005	4	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	109.2985	1.014	25	109.2985	1.027	25	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Fe)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6]2Fe)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	108.7575	0.216	8	108.7575	0.047	8	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	H(CN[6]CH)	110.8855	0.524	4	110.8855	0.275	4	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	H(CN[6]CH)	109.2590	0.049	2	109.2590	0.002	2	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	H(CN[6]CH)	108.7367	0.074	3	108.7367	0.006	3	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]C[6]O)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]C[6]O)(CN[6]HH)(H)2	H(CN[6]CH)	109.1170	0.011	2	109.1170	0.000	2	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.7003	0.096	3	108.7003	0.009	3	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	H(CN[6]CH)	108.8080	0.238	6	108.8080	0.057	6	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	H(CN[6]CH)	108.5762	0.421	6	108.5762	0.177	6	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.9652	0.709	73	108.9652	0.503	73	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	H(CN[6]CH)	108.9620	0.016	2	108.9620	0.000	2	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	H(CN[6]CH)	108.9030	0.189	6	108.9030	0.036	6	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	109.0416	0.867	31	109.0416	0.752	31	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	H(CN[6]CH)	109.3070	0.066	2	109.3070	0.004	2	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	H(CN[6]CH)	111.1732	1.543	4	111.1732	2.382	4	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COPP)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COPP)(H)2	H(CN[6]CH)	109.2140	0.017	2	109.2140	0.000	2	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	109.4015	0.087	4	109.4015	0.008	4	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Ir)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ir)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	H(CN[6]CH)	108.3460	0.113	6	108.3460	0.013	6	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Mg)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Mg)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	H(CN[6]CH)	108.7112	0.481	6	108.7112	0.231	6	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Mg)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Mg)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	H(CN[6]CH)	108.7100	0.000	1	108.7100	0.000	1	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2O)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	C(N[6]C[6]2O)(CCHH)(H)2	C(CN[6]HH)2(H)2	H(CN[6]CH)	108.3156	0.182	7	108.3156	0.033	7	108.9309	0.764	246	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cd)(CHHN)(H)2	C(CN[6]HH)(NCdHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cd)(CHHN)(H)2	C(CN[6]HH)(NCdHH)(H)2	H(CN[6]CH)	109.1570	0.038	2	109.1570	0.001	2	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Co)(CHHN)(H)2	C(CN[6]HH)(NCoCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Co)(CHHN)(H)2	C(CN[6]HH)(NCoCH)(H)2	H(CN[6]CH)	109.5035	0.035	2	109.5035	0.001	2	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Co)(CHHN)(H)2	C(CN[6]HH)(NCoHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Co)(CHHN)(H)2	C(CN[6]HH)(NCoHH)(H)2	H(CN[6]CH)	109.1125	0.012	2	109.1125	0.000	2	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CHHN)(H)2	C(CN[6]HH)(NCuCC)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CHHN)(H)2	C(CN[6]HH)(NCuCC)(H)2	H(CN[6]CH)	109.1700	0.373	5	109.1700	0.139	5	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CHHN)(H)2	C(CN[6]HH)(NCuCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Cu)(CHHN)(H)2	C(CN[6]HH)(NCuCH)(H)2	H(CN[6]CH)	109.6635	0.040	2	109.6635	0.002	2	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Fe)(CHHN)(H)2	C(CN[6]HH)(NFeCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Fe)(CHHN)(H)2	C(CN[6]HH)(NFeCH)(H)2	H(CN[6]CH)	109.5122	0.083	4	109.5122	0.007	4	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	H(CN[6]CH)	108.5619	0.663	26	108.5619	0.439	26	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Ir)(CHHN)(H)2	C(CN[6]HH)(NIrCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ir)(CHHN)(H)2	C(CN[6]HH)(NIrCH)(H)2	H(CN[6]CH)	109.2518	0.077	4	109.2518	0.006	4	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Mn)(CHHN)(H)2	C(CN[6]HH)(NMnCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Mn)(CHHN)(H)2	C(CN[6]HH)(NMnCH)(H)2	H(CN[6]CH)	109.0445	0.116	4	109.0445	0.014	4	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Ni)(CHHN)(H)2	C(CN[6]HH)(NNiCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ni)(CHHN)(H)2	C(CN[6]HH)(NNiCH)(H)2	H(CN[6]CH)	109.3265	0.056	2	109.3265	0.003	2	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Ni)(CHHN)(H)2	C(CN[6]HH)(NNiHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ni)(CHHN)(H)2	C(CN[6]HH)(NNiHH)(H)2	H(CN[6]CH)	109.2560	0.011	2	109.2560	0.000	2	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Pt)(CHHN)(H)2	C(CN[6]HH)(NPtHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Pt)(CHHN)(H)2	C(CN[6]HH)(NPtHH)(H)2	H(CN[6]CH)	109.3440	0.000	1	109.3440	0.000	1	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Ru)(CHHN)(H)2	C(CN[6]HH)(NRuCH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ru)(CHHN)(H)2	C(CN[6]HH)(NRuCH)(H)2	H(CN[6]CH)	109.4677	0.113	17	109.4677	0.013	17	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Zn)(CHHN)(H)2	C(CN[6]HH)(NZnHH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Zn)(CHHN)(H)2	C(CN[6]HH)(NZnHH)(H)2	H(CN[6]CH)	109.5275	0.015	2	109.5275	0.000	2	109.0811	0.324	75	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	H(CN[6]CH)	111.5470	1.177	6	111.5470	1.384	6	111.5470	1.384	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Eu)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Eu)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Eu)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Eu)(CN[6]HH)(H)2	H(CN[6]CH)	108.6230	0.008	2	108.6230	0.000	2	109.0613	0.052	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	H(CN[6]CH)	109.1197	0.167	15	109.1197	0.028	15	109.0613	0.052	17	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Ni)(CN[6]HH)(H)2	C(N[6]C[6]2Ni)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Ni)(CN[6]HH)(H)2	C(N[6]C[6]2Ni)(CN[6]HH)(H)2	H(CN[6]CH)	110.3858	2.469	4	110.3858	6.096	4	110.3858	6.096	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	N[6]-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Pd)(CHHP)(H)2	C(PC[6a]2Pd)(CN[6]HH)(H)2	H(CN[6]CH)	C(N[6]C[6]2Pd)(CHHP)(H)2	C(PC[6a]2Pd)(CN[6]HH)(H)2	H(CN[6]CH)	109.3785	0.108	2	109.3785	0.012	2	109.3785	0.012	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(OLiZn2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	C(OLiZn2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	H(CCHO)	108.8785	0.047	2	108.8785	0.002	2	108.8785	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	O-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OBa2Co)(CHHN)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	C(OBa2Co)(CHHN)(H)2	C(NBaCC)(CHHO)(H)2	H(CCHO)	109.9935	0.069	2	109.9935	0.005	2	110.3585	0.427	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	O-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OBa2Co)(CHHN)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	C(OBa2Co)(CHHN)(H)2	C(NCoCC)(CHHO)(H)2	H(CCHO)	109.8840	0.047	2	109.8840	0.002	2	110.3585	0.427	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	O-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(OCdCoCu)(CHHN)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	C(OCdCoCu)(CHHN)(H)2	C(NCuCC)(CHHO)(H)2	H(CCHO)	111.1980	0.004	2	111.1980	0.000	2	110.3585	0.427	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[5,6]C[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[5,6]C[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	108.9705	0.046	2	108.9705	0.002	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	109.0787	0.654	3	109.0787	0.427	3	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	H(CCHP)	108.7850	0.030	2	108.7850	0.001	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2I)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2I)(CHHP)(H)2	H(CCHP)	109.9200	0.040	2	109.9200	0.002	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	H(CCHP)	109.0740	0.000	1	109.0740	0.000	1	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C[5])(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C[5])(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	H(CCHP)	109.1130	0.023	4	109.1130	0.001	4	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	H(CCHP)	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	H(CCHP)	109.4635	0.008	2	109.4635	0.000	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	H(CCHP)	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	H(CCHP)	109.7910	0.016	2	109.7910	0.000	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CBHH)(H)2	C(BC[6]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CBHH)(H)2	C(BC[6]2C)(CHHP)(H)2	H(CCHP)	109.5075	0.005	2	109.5075	0.000	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Zr)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Zr)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	108.6318	0.455	4	108.6318	0.207	4	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CC)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	H(CCHP)	C(PC[6a]CC)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	H(CCHP)	107.7020	0.000	1	107.7020	0.000	1	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	H(CCHP)	108.8830	0.000	1	108.8830	0.000	1	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	H(CCHP)	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	H(CCHP)	108.8570	0.017	2	108.8570	0.000	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]HH)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	H(CCHP)	C(PC[6a]HH)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	H(CCHP)	109.9020	0.004	2	109.9020	0.000	2	109.1422	0.305	30	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PAgCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PAgCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.7386	0.040	5	108.7386	0.002	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PAuCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PAuCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5911	0.305	10	108.5911	0.093	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[3x6]2Ag)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[3x6]2Ag)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.4453	0.121	4	108.4453	0.015	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[4]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[4]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5298	0.357	5	108.5298	0.128	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[5]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[5]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.3916	0.260	5	108.3916	0.068	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.7396	0.597	10	108.7396	0.357	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Pd)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6]2Pd)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3720	0.020	2	108.3720	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Pt)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6]2Pt)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.4088	0.510	10	108.4088	0.261	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	C(PC[6]2Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	107.5083	0.730	4	107.5083	0.532	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.1049	0.378	7	108.1049	0.143	7	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.9710	0.628	6	107.9710	0.394	6	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.2935	0.011	2	107.2935	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]NiC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6]NiC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.7481	0.356	16	108.7481	0.127	16	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]RhC)(CCHH)(H)2	C(CRhCH)(CHHP)(H)2	H(CCHP)	C(PC[6]RhC)(CCHH)(H)2	C(CRhCH)(CHHP)(H)2	H(CCHP)	109.8065	0.055	4	109.8065	0.003	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ag)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ag)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.7505	0.599	4	108.7505	0.359	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ag)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Ag)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	109.0774	0.726	8	109.0774	0.527	8	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Au)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Au)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.6432	0.621	4	108.6432	0.386	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Au)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Au)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.7656	0.388	36	108.7656	0.150	36	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.9635	0.029	2	108.9635	0.001	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CCHP)	108.9250	0.020	2	108.9250	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cl)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Cl)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.7233	0.073	4	108.7233	0.005	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CCHH)(H)2	C(CCoCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CCHH)(H)2	C(CCoCH)(CHHP)(H)2	H(CCHP)	110.2780	0.016	2	110.2780	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	109.2904	0.447	8	109.2904	0.200	8	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Co)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.8157	0.570	43	108.8157	0.325	43	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cr)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cr)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.0580	0.486	2	108.0580	0.237	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cr)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Cr)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3133	0.594	3	108.3133	0.353	3	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.8581	0.750	43	108.8581	0.563	43	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PC[6a]2Cu)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.9352	0.221	4	108.9352	0.049	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	C(PC[6a]2Cu)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	108.8785	0.207	2	108.8785	0.043	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Cu)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.6810	1.138	70	108.6810	1.295	70	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.6435	0.009	2	108.6435	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CCHH)(H)2	C(CFeHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CCHH)(H)2	C(CFeHH)(CHHP)(H)2	H(CCHP)	110.3920	0.017	2	110.3920	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.9384	0.639	12	108.9384	0.409	12	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Fe)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	109.1656	0.965	12	109.1656	0.932	12	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2H)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2H)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	110.3145	1.525	2	110.3145	2.326	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.2990	0.252	4	108.2990	0.064	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Ir)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5797	3.003	10	108.5797	9.020	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CCHH)(H)2	C(CIrHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CCHH)(H)2	C(CIrHH)(CHHP)(H)2	H(CCHP)	110.5675	0.063	2	110.5675	0.004	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CCHP)	108.8925	0.354	25	108.8925	0.125	25	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mn)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mn)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.8088	0.463	19	108.8088	0.214	19	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.7437	0.794	4	107.7437	0.631	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.2439	0.504	13	108.2439	0.254	13	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	C(PC[6a]2Mo)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	109.3392	0.186	4	109.3392	0.035	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Mo)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5190	0.403	23	108.5190	0.162	23	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5831	0.645	16	108.5831	0.416	16	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Ni)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	109.1976	1.267	27	109.1976	1.605	27	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.9274	0.542	12	108.9274	0.293	12	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Os)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Os)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	109.0192	0.070	4	109.0192	0.005	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2P)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2P)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5200	0.024	4	108.5200	0.001	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.4624	0.549	39	108.4624	0.302	39	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHP)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHP)(CHHP)(H)2	H(CCHP)	108.8348	0.195	10	108.8348	0.038	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CC[6]HH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CC[6]HH)(CHHP)(H)2	H(CCHP)	108.8170	0.068	2	108.8170	0.005	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.6740	0.014	2	108.6740	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)(CHOP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)(CHOP)(H)2	H(CCHP)	107.6685	0.062	2	107.6685	0.004	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.6076	0.850	137	108.6076	0.722	137	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(H)2	C(CPdCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CCHH)(H)2	C(CPdCH)(CHHP)(H)2	H(CCHP)	110.7096	0.172	14	110.7096	0.030	14	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.3642	0.412	24	108.3642	0.170	24	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Pt)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5352	0.494	167	108.5352	0.244	167	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Re)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Re)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.0933	0.410	6	109.0933	0.168	6	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Re)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Re)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5161	0.249	15	108.5161	0.062	15	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.8570	2.013	7	109.8570	4.052	7	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	C(PC[6a]2Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	107.8910	0.862	4	107.8910	0.743	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Rh)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3636	0.223	17	108.3636	0.050	17	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.2247	0.537	95	108.2247	0.289	95	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHP)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHP)(CHHP)(H)2	H(CCHP)	108.9326	0.419	10	108.9326	0.176	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]2Ru)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5438	0.464	11	108.5438	0.215	11	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHH)(H)2	C(CRuCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CCHH)(H)2	C(CRuCH)(CHHP)(H)2	H(CCHP)	109.8317	0.692	6	109.8317	0.479	6	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2S)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2S)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.6635	0.086	4	108.6635	0.007	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Se)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Se)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.9195	0.032	2	108.9195	0.001	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Sm)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Sm)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.1170	0.000	1	107.1170	0.000	1	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Te)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Te)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.7613	0.424	4	108.7613	0.180	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2W)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	C(PC[6a]2W)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	108.5895	0.124	2	108.5895	0.015	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	H(CCHP)	108.7580	0.021	2	108.7580	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.0415	0.284	11	109.0415	0.081	11	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CClHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CClHH)(CHHP)(H)2	H(CCHP)	109.1830	0.051	2	109.1830	0.003	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.0235	0.022	2	108.0235	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.8272	0.170	5	108.8272	0.029	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHP)	108.3705	0.008	2	108.3705	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COOU)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COOU)(H)2	H(CCHP)	109.1740	0.035	2	109.1740	0.001	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.0413	0.627	10	108.0413	0.393	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	H(CCHP)	108.1591	0.263	10	108.1591	0.069	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CCHP)	C(PC[6a]3)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CCHP)	108.3585	0.354	2	108.3585	0.126	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]Au2)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]Au2)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5759	0.304	15	108.5759	0.093	15	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.5541	1.189	8	109.5541	1.413	8	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]BH)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]BH)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.1677	0.063	3	108.1677	0.004	3	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.2885	0.573	12	108.2885	0.328	12	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]CO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.6418	0.105	4	108.6418	0.011	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]2)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PC[6a]C[6]2)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.5225	0.006	2	108.5225	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]B)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]C[6]B)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.4035	0.098	2	108.4035	0.010	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]Ir)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]C[6]Ir)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	109.0520	0.826	2	109.0520	0.682	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]Rh)(CCHH)(H)2	C(CRhHS)(CHHP)(H)2	H(CCHP)	C(PC[6a]C[6]Rh)(CCHH)(H)2	C(CRhHS)(CHHP)(H)2	H(CCHP)	111.1610	1.949	2	111.1610	3.798	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CuC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]CuC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.7542	0.691	8	108.7542	0.477	8	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]FeC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]FeC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.6696	0.474	10	108.6696	0.225	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]IrC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]IrC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.7280	0.571	6	107.7280	0.326	6	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]IrC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]IrC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5747	0.483	11	108.5747	0.234	11	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]MoC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PC[6a]MoC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.3822	0.079	4	108.3822	0.006	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]MoC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]MoC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3363	0.140	3	108.3363	0.020	3	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.6412	0.338	6	108.6412	0.114	6	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]NiC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	109.4262	1.971	23	109.4262	3.883	23	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]NiC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.7070	0.167	15	108.7070	0.028	15	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]OS)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PC[6a]OS)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	104.9995	0.691	2	104.9995	0.477	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PdC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]PdC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.6578	0.355	22	108.6578	0.126	22	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PtC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]PtC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.3595	0.646	48	108.3595	0.417	48	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PtC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]PtC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.6822	0.315	39	108.6822	0.099	39	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RhC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]RhC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.5700	0.326	4	107.5700	0.106	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RhC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PC[6a]RhC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.8029	0.242	14	108.8029	0.059	14	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RuO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]RuO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.9765	0.078	2	107.9765	0.006	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]SS)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]SS)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	H(CCHP)	108.8095	0.018	2	108.8095	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PCdCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PCdCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	107.6048	2.791	6	107.6048	7.790	6	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.0328	0.426	5	108.0328	0.182	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	108.3133	0.327	18	108.3133	0.107	18	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PCoCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5384	2.311	8	108.5384	5.341	8	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PCuCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PCuCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.0220	0.193	3	108.0220	0.037	3	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PCuCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PCuCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3612	0.370	41	108.3612	0.137	41	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PFe2H)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PFe2H)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.6755	0.039	2	108.6755	0.002	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.7259	0.201	22	108.7259	0.041	22	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CCHH)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CCHH)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	109.1650	1.828	31	109.1650	3.341	31	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PFeCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	104.1206	0.453	5	104.1206	0.205	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PFeCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.5350	0.178	8	108.5350	0.032	8	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PFeCN)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PFeCN)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	109.4675	0.009	2	109.4675	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PIrCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PIrCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.4031	0.298	21	108.4031	0.089	21	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PIrCC)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CCHP)	C(PIrCC)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	H(CCHP)	108.3075	0.008	2	108.3075	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PIrCO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PIrCO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.8355	0.492	4	107.8355	0.243	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PMoCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PMoCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.0070	0.253	11	108.0070	0.064	11	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PMoCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PMoCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.0450	0.546	11	108.0450	0.298	11	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PMoCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PMoCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.2835	0.229	4	108.2835	0.052	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PMoCH)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PMoCH)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.8003	0.277	4	108.8003	0.077	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PN[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PN[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.4397	0.397	10	108.4397	0.158	10	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PNiCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PNiCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.1397	0.678	72	108.1397	0.460	72	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PNiCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PNiCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	109.3418	0.163	5	109.3418	0.026	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PNiCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PNiCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	110.4285	1.559	4	110.4285	2.430	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PNiCC)(CCHH)(H)2	C(CNiCH)(CHHP)(H)2	H(CCHP)	C(PNiCC)(CCHH)(H)2	C(CNiCH)(CHHP)(H)2	H(CCHP)	110.5206	0.130	46	110.5206	0.017	46	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(POsCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(POsCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.3644	0.326	28	108.3644	0.106	28	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(POsCC)(CCHH)(H)2	C(COsCH)(CHHP)(H)2	H(CCHP)	C(POsCC)(CCHH)(H)2	C(COsCH)(CHHP)(H)2	H(CCHP)	110.0386	0.156	5	110.0386	0.024	5	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5675	0.698	48	108.5675	0.488	48	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	H(CCHP)	107.9818	0.357	4	107.9818	0.128	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PPdCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.5982	0.354	44	108.5982	0.126	44	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PPdCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	107.9901	0.483	39	107.9901	0.233	39	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPtCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PPtCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5419	0.523	170	108.5419	0.273	170	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPtCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PPtCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.4758	0.492	31	108.4758	0.242	31	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPtCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PPtCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	109.7055	1.807	4	109.7055	3.265	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PPtCC)(CCHH)(H)2	C(CPtCH)(CHHP)(H)2	H(CCHP)	C(PPtCC)(CCHH)(H)2	C(CPtCH)(CHHP)(H)2	H(CCHP)	110.9365	0.018	2	110.9365	0.000	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PReCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	C(PReCC)(CCHH)(H)2	C(CHHP)(CH3)(H)2	H(CCHP)	108.4484	0.416	18	108.4484	0.173	18	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PReCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PReCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3037	0.494	8	108.3037	0.244	8	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRhCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PRhCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.3423	0.394	19	108.3423	0.155	19	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRhCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PRhCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.3528	0.322	11	108.3528	0.103	11	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRhCC)(CCHH)(H)2	C(CRhHH)(CHHP)(H)2	H(CCHP)	C(PRhCC)(CCHH)(H)2	C(CRhHH)(CHHP)(H)2	H(CCHP)	110.0755	0.083	2	110.0755	0.007	2	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRhCO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PRhCO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	107.7610	0.639	4	107.7610	0.408	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRu2P)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PRu2P)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.4412	0.106	4	108.4412	0.011	4	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.5244	0.329	35	108.5244	0.108	35	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CCHH)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CCHH)(H)2	C(CHHO)(CHHP)(H)2	H(CCHP)	107.6990	0.235	7	107.6990	0.055	7	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	C(PRuCC)(CCHH)(H)2	C(CHHP)2(H)2	H(CCHP)	108.2224	0.640	33	108.2224	0.409	33	108.6111	0.761	2283	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(PC[6a]2W)(CHHN)(H)2	C(CHHP)(NHHW)(H)2	H(CCHP)	C(PC[6a]2W)(CHHN)(H)2	C(CHHP)(NHHW)(H)2	H(CCHP)	109.6925	0.194	11	109.6925	0.038	11	109.6925	0.038	11	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(PMoCC)(CHHP)(H)2	C(CHHP)(PCCP)(H)2	H(CCHP)	C(PMoCC)(CHHP)(H)2	C(CHHP)(PCCP)(H)2	H(CCHP)	108.2060	0.016	2	108.2060	0.000	2	108.8825	0.611	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(PNiCC)(CHHP)(H)2	C(CHHP)(PC3)(H)2	H(CCHP)	C(PNiCC)(CHHP)(H)2	C(CHHP)(PC3)(H)2	H(CCHP)	109.5590	0.033	2	109.5590	0.001	2	108.8825	0.611	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHS)(H)2	C(CHHP)(SO3)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHS)(H)2	C(CHHP)(SO3)(H)2	H(CCHP)	108.2930	0.034	2	108.2930	0.001	2	108.2930	0.001	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CSiHH)(H)2	C(CHHP)(SiO3)(H)2	H(CCHP)	C(PC[6a]2Cu)(CSiHH)(H)2	C(CHHP)(SiO3)(H)2	H(CCHP)	108.9600	0.006	2	108.9600	0.000	2	108.9600	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cr)(CC[5]HH)(H)2	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cr)(CC[5]HH)(H)2	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CCHP)	110.8498	0.451	4	110.8498	0.203	4	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CC[5]HH)(H)2	C(C[5]C[5]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CC[5]HH)(H)2	C(C[5]C[5]2Mo)(CHHP)(H)2	H(CCHP)	110.5042	0.255	10	110.5042	0.065	10	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CC[5]HH)(H)2	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CC[5]HH)(H)2	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CCHP)	108.9330	0.170	4	108.9330	0.029	4	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CC[5]HH)(H)2	C(C[5]C[5]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CC[5]HH)(H)2	C(C[5]C[5]2Mo)(CHHP)(H)2	H(CCHP)	108.3270	0.011	2	108.3270	0.000	2	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CC[5]HH)(H)2	C(C[5]C[5]2W)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CC[5]HH)(H)2	C(C[5]C[5]2W)(CHHP)(H)2	H(CCHP)	108.3820	0.010	2	108.3820	0.000	2	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]Rh)(CHHP)(H)2	H(CCHP)	110.3100	0.013	2	110.3100	0.000	2	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5,6]Rh)(CHHP)(H)2	H(CCHP)	110.8595	0.047	2	110.8595	0.002	2	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CC[5]HH)(H)2	C(C[5]C[5,6]2H)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CC[5]HH)(H)2	C(C[5]C[5,6]2H)(CHHP)(H)2	H(CCHP)	108.9250	0.000	1	108.9250	0.000	1	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2W)(CC[5]HH)(H)2	C(C[5]C[5]2W)(CHHP)(H)2	H(CCHP)	C(PC[6a]2W)(CC[5]HH)(H)2	C(C[5]C[5]2W)(CHHP)(H)2	H(CCHP)	110.3752	0.371	6	110.3752	0.138	6	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CoC)(CC[5]HH)(H)2	C(C[5]C[5]2Co)(CHHP)(H)2	H(CCHP)	C(PC[6a]CoC)(CC[5]HH)(H)2	C(C[5]C[5]2Co)(CHHP)(H)2	H(CCHP)	110.6340	0.014	2	110.6340	0.000	2	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CrC)(CC[5]HH)(H)2	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CCHP)	C(PC[6a]CrC)(CC[5]HH)(H)2	C(C[5]C[5]2Cr)(CHHP)(H)2	H(CCHP)	110.0667	0.058	4	110.0667	0.003	4	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RhC)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]RhC)(CC[5]HH)(H)2	C(C[5]C[5]2Rh)(CHHP)(H)2	H(CCHP)	109.5340	0.069	4	109.5340	0.005	4	110.0181	0.670	43	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Rh)(CC[6]HH)(H)2	C(C[6]C[6]2Rh)(CHHP)(H)2	H(CCHP)	C(PC[6]2Rh)(CC[6]HH)(H)2	C(C[6]C[6]2Rh)(CHHP)(H)2	H(CCHP)	109.2000	0.011	2	109.2000	0.000	2	109.6422	0.262	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CC[6]HH)(H)2	C(C[6]C[6]2Ru)(CHHP)(H)2	H(CCHP)	110.0845	0.056	2	110.0845	0.003	2	109.6422	0.262	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PAlCC)(CHHN)(H)2	C(NAlSiC)(CHHP)(H)2	H(CCHP)	C(PAlCC)(CHHN)(H)2	C(NAlSiC)(CHHP)(H)2	H(CCHP)	110.0850	0.027	2	110.0850	0.001	2	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[3x6]2Mn)(CHHN)(H)2	C(NMnCH)(CHHP)(H)2	H(CCHP)	C(PC[3x6]2Mn)(CHHN)(H)2	C(NMnCH)(CHHP)(H)2	H(CCHP)	109.9028	0.085	6	109.9028	0.007	6	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Co)(CHHN)(H)2	C(NCoCH)(CHHP)(H)2	H(CCHP)	C(PC[6]2Co)(CHHN)(H)2	C(NCoCH)(CHHP)(H)2	H(CCHP)	109.9160	0.167	7	109.9160	0.028	7	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Cr)(CHHN)(H)2	C(NCrCH)(CHHP)(H)2	H(CCHP)	C(PC[6]2Cr)(CHHN)(H)2	C(NCrCH)(CHHP)(H)2	H(CCHP)	109.5643	0.212	8	109.5643	0.045	8	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Fe)(CHHN)(H)2	C(NFeBC)(CHHP)(H)2	H(CCHP)	C(PC[6]2Fe)(CHHN)(H)2	C(NFeBC)(CHHP)(H)2	H(CCHP)	110.0222	0.093	4	110.0222	0.009	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	C(NC[6a]CoH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	C(NC[6a]CoH)(CHHP)(H)2	H(CCHP)	109.8915	0.023	2	109.8915	0.001	2	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHN)(H)2	C(NCo2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHN)(H)2	C(NCo2C)(CHHP)(H)2	H(CCHP)	110.6605	0.015	2	110.6605	0.000	2	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cr)(CHHN)(H)2	C(NCrCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cr)(CHHN)(H)2	C(NCrCH)(CHHP)(H)2	H(CCHP)	110.0828	0.164	4	110.0828	0.027	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	C(NFeCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	C(NFeCC)(CHHP)(H)2	H(CCHP)	109.2260	0.192	3	109.2260	0.037	3	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	C(NFeCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	C(NFeCH)(CHHP)(H)2	H(CCHP)	109.8542	0.305	12	109.8542	0.093	12	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHN)(H)2	C(NFeHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHN)(H)2	C(NFeHH)(CHHP)(H)2	H(CCHP)	109.8820	0.135	3	109.8820	0.018	3	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CHHN)(H)2	C(NIrCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CHHN)(H)2	C(NIrCH)(CHHP)(H)2	H(CCHP)	110.0365	0.178	4	110.0365	0.032	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CHHN)(H)2	C(NMoCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CHHN)(H)2	C(NMoCH)(CHHP)(H)2	H(CCHP)	109.8167	0.257	4	109.8167	0.066	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHN)(H)2	C(NC[6a]NiC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHN)(H)2	C(NC[6a]NiC)(CHHP)(H)2	H(CCHP)	110.4758	0.244	4	110.4758	0.060	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHN)(H)2	C(NNiCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHN)(H)2	C(NNiCC)(CHHP)(H)2	H(CCHP)	110.2569	0.256	12	110.2569	0.065	12	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2O)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	H(CCHP)	108.8448	0.397	5	108.8448	0.158	5	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHN)(H)2	C(NC[6a]PdC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHN)(H)2	C(NC[6a]PdC)(CHHP)(H)2	H(CCHP)	110.2080	0.331	4	110.2080	0.109	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHN)(H)2	C(NPdCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHN)(H)2	C(NPdCH)(CHHP)(H)2	H(CCHP)	110.0130	0.281	16	110.0130	0.079	16	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHN)(H)2	C(NPdHH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHN)(H)2	C(NPdHH)(CHHP)(H)2	H(CCHP)	109.8015	1.293	4	109.8015	1.673	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Re)(CHHN)(H)2	C(NReCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Re)(CHHN)(H)2	C(NReCC)(CHHP)(H)2	H(CCHP)	109.4465	0.375	11	109.4465	0.141	11	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Re)(CHHN)(H)2	C(NReCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Re)(CHHN)(H)2	C(NReCH)(CHHP)(H)2	H(CCHP)	109.6550	0.622	6	109.6550	0.387	6	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHN)(H)2	C(NC[6]RuH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHN)(H)2	C(NC[6]RuH)(CHHP)(H)2	H(CCHP)	110.1055	0.087	2	110.1055	0.008	2	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHN)(H)2	C(NRuCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHN)(H)2	C(NRuCC)(CHHP)(H)2	H(CCHP)	109.8074	0.509	20	109.8074	0.259	20	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	H(CCHP)	107.8518	3.895	17	107.8518	15.170	17	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]Re)(CHHN)(H)2	C(NReCH)(CHHP)(H)2	H(CCHP)	C(PC[6a]C[6]Re)(CHHN)(H)2	C(NReCH)(CHHP)(H)2	H(CCHP)	107.9335	0.021	2	107.9335	0.000	2	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHN)(H)2	C(NC[6a]CoH)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHN)(H)2	C(NC[6a]CoH)(CHHP)(H)2	H(CCHP)	109.6770	0.036	3	109.6770	0.001	3	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHN)(H)2	C(NCo2C)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHN)(H)2	C(NCo2C)(CHHP)(H)2	H(CCHP)	110.0590	0.305	6	110.0590	0.093	6	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHN)(H)2	C(NCoCH)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHN)(H)2	C(NCoCH)(CHHP)(H)2	H(CCHP)	109.8603	0.232	39	109.8603	0.054	39	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHN)(H)2	C(NCoSiC)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHN)(H)2	C(NCoSiC)(CHHP)(H)2	H(CCHP)	109.4342	0.242	14	109.4342	0.059	14	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PCrCC)(CHHN)(H)2	C(NCrSiC)(CHHP)(H)2	H(CCHP)	C(PCrCC)(CHHN)(H)2	C(NCrSiC)(CHHP)(H)2	H(CCHP)	109.3139	0.312	14	109.3139	0.097	14	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PCuCC)(CHHN)(H)2	C(NCuCH)(CHHP)(H)2	H(CCHP)	C(PCuCC)(CHHN)(H)2	C(NCuCH)(CHHP)(H)2	H(CCHP)	109.3352	0.361	6	109.3352	0.131	6	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CHHN)(H)2	C(NFeBC)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CHHN)(H)2	C(NFeBC)(CHHP)(H)2	H(CCHP)	110.1963	0.073	3	110.1963	0.005	3	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CHHN)(H)2	C(NFeCC)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CHHN)(H)2	C(NFeCC)(CHHP)(H)2	H(CCHP)	110.1883	0.116	19	110.1883	0.014	19	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CHHN)(H)2	C(NFeCH)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CHHN)(H)2	C(NFeCH)(CHHP)(H)2	H(CCHP)	110.0826	0.217	24	110.0826	0.047	24	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CHHN)(H)2	C(NFeSiC)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CHHN)(H)2	C(NFeSiC)(CHHP)(H)2	H(CCHP)	109.4765	0.009	2	109.4765	0.000	2	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PIrCC)(CHHN)(H)2	C(NIrCH)(CHHP)(H)2	H(CCHP)	C(PIrCC)(CHHN)(H)2	C(NIrCH)(CHHP)(H)2	H(CCHP)	109.6419	0.218	36	109.6419	0.047	36	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PLiCC)(CHHN)(H)2	C(NLi2C)(CHHP)(H)2	H(CCHP)	C(PLiCC)(CHHN)(H)2	C(NLi2C)(CHHP)(H)2	H(CCHP)	109.3709	0.455	7	109.3709	0.207	7	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PMnCC)(CHHN)(H)2	C(NMnCH)(CHHP)(H)2	H(CCHP)	C(PMnCC)(CHHN)(H)2	C(NMnCH)(CHHP)(H)2	H(CCHP)	110.0000	0.087	18	110.0000	0.008	18	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PMoCC)(CHHN)(H)2	C(NMoCH)(CHHP)(H)2	H(CCHP)	C(PMoCC)(CHHN)(H)2	C(NMoCH)(CHHP)(H)2	H(CCHP)	109.7920	0.036	4	109.7920	0.001	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PNiCC)(CHHN)(H)2	C(NNiCH)(CHHP)(H)2	H(CCHP)	C(PNiCC)(CHHN)(H)2	C(NNiCH)(CHHP)(H)2	H(CCHP)	110.1176	0.215	37	110.1176	0.046	37	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(POsCC)(CHHN)(H)2	C(NOsCH)(CHHP)(H)2	H(CCHP)	C(POsCC)(CHHN)(H)2	C(NOsCH)(CHHP)(H)2	H(CCHP)	109.6444	0.311	17	109.6444	0.097	17	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHN)(H)2	C(NPdCC)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHN)(H)2	C(NPdCC)(CHHP)(H)2	H(CCHP)	109.8573	0.128	3	109.8573	0.016	3	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHN)(H)2	C(NPdCH)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHN)(H)2	C(NPdCH)(CHHP)(H)2	H(CCHP)	109.6525	0.121	8	109.6525	0.015	8	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PPtCC)(CHHN)(H)2	C(NPtCC)(CHHP)(H)2	H(CCHP)	C(PPtCC)(CHHN)(H)2	C(NPtCC)(CHHP)(H)2	H(CCHP)	109.8947	0.378	20	109.8947	0.143	20	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PReCC)(CHHN)(H)2	C(NReCH)(CHHP)(H)2	H(CCHP)	C(PReCC)(CHHN)(H)2	C(NReCH)(CHHP)(H)2	H(CCHP)	109.5346	0.114	16	109.5346	0.013	16	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PRhCC)(CHHN)(H)2	C(NRhCH)(CHHP)(H)2	H(CCHP)	C(PRhCC)(CHHN)(H)2	C(NRhCH)(CHHP)(H)2	H(CCHP)	109.6080	0.256	4	109.6080	0.066	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHN)(H)2	C(NRuBC)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHN)(H)2	C(NRuBC)(CHHP)(H)2	H(CCHP)	109.6933	0.073	3	109.6933	0.005	3	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHN)(H)2	C(NRuCC)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHN)(H)2	C(NRuCC)(CHHP)(H)2	H(CCHP)	109.3629	0.255	9	109.3629	0.065	9	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	H(CCHP)	109.8484	0.307	29	109.8484	0.094	29	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHN)(H)2	C(NRuHH)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHN)(H)2	C(NRuHH)(CHHP)(H)2	H(CCHP)	109.8095	0.098	4	109.8095	0.010	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PTiCC)(CHHN)(H)2	C(NSiTiC)(CHHP)(H)2	H(CCHP)	C(PTiCC)(CHHN)(H)2	C(NSiTiC)(CHHP)(H)2	H(CCHP)	110.1813	0.048	4	110.1813	0.002	4	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(PZrCC)(CHHN)(H)2	C(NSiZrC)(CHHP)(H)2	H(CCHP)	C(PZrCC)(CHHN)(H)2	C(NSiZrC)(CHHP)(H)2	H(CCHP)	109.3460	0.037	2	109.3460	0.001	2	109.7476	0.760	515	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CN[6]HH)(H)2	C(N[6]C[6]2Pd)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CN[6]HH)(H)2	C(N[6]C[6]2Pd)(CHHP)(H)2	H(CCHP)	110.5955	0.142	2	110.5955	0.020	2	110.5955	0.020	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PAlCC)(CHHP)(H)2	C(PAlCC)(CHHP)(H)2	H(CCHP)	C(PAlCC)(CHHP)(H)2	C(PAlCC)(CHHP)(H)2	H(CCHP)	109.2766	0.264	18	109.2766	0.070	18	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PBrCC)(CHHP)(H)2	C(PBrCC)(CHHP)(H)2	H(CCHP)	C(PBrCC)(CHHP)(H)2	C(PBrCC)(CHHP)(H)2	H(CCHP)	108.6825	0.026	2	108.6825	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[5]RuC)(CHHP)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	C(PC[5]RuC)(CHHP)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	109.5903	0.222	12	109.5903	0.049	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Au)(CHHP)(H)2	C(PC[6]2Au)(CHHP)(H)2	H(CCHP)	C(PC[6]2Au)(CHHP)(H)2	C(PC[6]2Au)(CHHP)(H)2	H(CCHP)	108.0615	0.217	6	108.0615	0.047	6	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2B)(CHHP)(H)2	C(PC[6]2B)(CHHP)(H)2	H(CCHP)	C(PC[6]2B)(CHHP)(H)2	C(PC[6]2B)(CHHP)(H)2	H(CCHP)	108.1955	0.042	2	108.1955	0.002	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Co)(CHHP)(H)2	C(PC[6]2Co)(CHHP)(H)2	H(CCHP)	C(PC[6]2Co)(CHHP)(H)2	C(PC[6]2Co)(CHHP)(H)2	H(CCHP)	108.6195	0.064	2	108.6195	0.004	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Fe)(CHHP)(H)2	C(PC[6]2Fe)(CHHP)(H)2	H(CCHP)	C(PC[6]2Fe)(CHHP)(H)2	C(PC[6]2Fe)(CHHP)(H)2	H(CCHP)	109.2825	0.248	12	109.2825	0.062	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Fe)(CHHP)(H)2	C(PFeCC)(CHHP)(H)2	H(CCHP)	C(PC[6]2Fe)(CHHP)(H)2	C(PFeCC)(CHHP)(H)2	H(CCHP)	109.7053	0.404	13	109.7053	0.164	13	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2H)(CHHP)(H)2	C(PC[6]2H)(CHHP)(H)2	H(CCHP)	C(PC[6]2H)(CHHP)(H)2	C(PC[6]2H)(CHHP)(H)2	H(CCHP)	108.9105	0.005	2	108.9105	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Mo)(CHHP)(H)2	C(PC[6]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6]2Mo)(CHHP)(H)2	C(PC[6]2Mo)(CHHP)(H)2	H(CCHP)	110.4425	4.709	4	110.4425	22.174	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Ni)(CHHP)(H)2	C(PC[6]2Ni)(CHHP)(H)2	H(CCHP)	C(PC[6]2Ni)(CHHP)(H)2	C(PC[6]2Ni)(CHHP)(H)2	H(CCHP)	109.6299	0.889	93	109.6299	0.791	93	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2O)(CHHP)(H)2	C(PC[6]2O)(CHHP)(H)2	H(CCHP)	C(PC[6]2O)(CHHP)(H)2	C(PC[6]2O)(CHHP)(H)2	H(CCHP)	109.0340	0.033	2	109.0340	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Pd)(CHHP)(H)2	C(PC[6]2Pd)(CHHP)(H)2	H(CCHP)	C(PC[6]2Pd)(CHHP)(H)2	C(PC[6]2Pd)(CHHP)(H)2	H(CCHP)	109.0645	0.345	25	109.0645	0.119	25	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Pt)(CHHP)(H)2	C(PC[6]2Pt)(CHHP)(H)2	H(CCHP)	C(PC[6]2Pt)(CHHP)(H)2	C(PC[6]2Pt)(CHHP)(H)2	H(CCHP)	109.1478	0.287	42	109.1478	0.082	42	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Rh)(CHHP)(H)2	C(PC[6]2Rh)(CHHP)(H)2	H(CCHP)	C(PC[6]2Rh)(CHHP)(H)2	C(PC[6]2Rh)(CHHP)(H)2	H(CCHP)	109.6587	0.250	12	109.6587	0.062	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6]2W)(CHHP)(H)2	C(PC[6]2W)(CHHP)(H)2	H(CCHP)	C(PC[6]2W)(CHHP)(H)2	C(PC[6]2W)(CHHP)(H)2	H(CCHP)	109.4914	0.484	31	109.4914	0.234	31	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ag)(CHHP)(H)2	C(PC[6a]2Ag)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ag)(CHHP)(H)2	C(PC[6a]2Ag)(CHHP)(H)2	H(CCHP)	107.0857	0.345	4	107.0857	0.119	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ag)(CHHP)(H)2	C(PC[6a]AgC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ag)(CHHP)(H)2	C(PC[6a]AgC)(CHHP)(H)2	H(CCHP)	108.9237	0.256	8	108.9237	0.066	8	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Au)(CHHP)(H)2	C(PC[6a]2Au)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Au)(CHHP)(H)2	C(PC[6a]2Au)(CHHP)(H)2	H(CCHP)	108.3960	0.402	12	108.3960	0.162	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	109.2982	0.423	4	109.2982	0.179	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	109.4365	0.047	2	109.4365	0.002	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	109.1987	0.320	6	109.1987	0.102	6	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	108.7053	0.250	4	108.7053	0.062	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]CC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]CC)(CHHP)(H)2	H(CCHP)	109.2457	0.081	3	109.2457	0.007	3	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	108.4970	0.007	2	108.4970	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHP)(H)2	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHP)(H)2	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	109.9303	0.419	45	109.9303	0.176	45	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHP)(H)2	C(PC[6a]CoC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHP)(H)2	C(PC[6a]CoC)(CHHP)(H)2	H(CCHP)	110.1153	0.413	4	110.1153	0.170	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CHHP)(H)2	C(PCoCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Co)(CHHP)(H)2	C(PCoCC)(CHHP)(H)2	H(CCHP)	110.2526	0.352	15	110.2526	0.124	15	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CHHP)(H)2	C(PC[6a]2Cu)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CHHP)(H)2	C(PC[6a]2Cu)(CHHP)(H)2	H(CCHP)	109.4278	0.472	150	109.4278	0.223	150	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	109.3750	0.083	2	109.3750	0.007	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	109.7673	0.536	656	109.7673	0.287	656	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	108.4655	0.026	2	108.4655	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	109.2775	0.015	2	109.2775	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	109.8964	0.521	42	109.8964	0.271	42	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(H)2	C(PFeCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Fe)(CHHP)(H)2	C(PFeCC)(CHHP)(H)2	H(CCHP)	109.7026	0.454	12	109.7026	0.206	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	108.5550	0.859	5	108.5550	0.738	5	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2H)(CHHP)(H)2	C(PC[6a]2H)(CHHP)(H)2	H(CCHP)	C(PC[6a]2H)(CHHP)(H)2	C(PC[6a]2H)(CHHP)(H)2	H(CCHP)	109.1645	0.026	2	109.1645	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CHHP)(H)2	C(PC[6a]2Ir)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CHHP)(H)2	C(PC[6a]2Ir)(CHHP)(H)2	H(CCHP)	109.4091	0.725	14	109.4091	0.526	14	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ir)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	107.5655	0.090	2	107.5655	0.008	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mn)(CHHP)(H)2	C(PC[6a]2Mn)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mn)(CHHP)(H)2	C(PC[6a]2Mn)(CHHP)(H)2	H(CCHP)	109.8597	0.510	11	109.8597	0.261	11	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]2Ir)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]2Ir)(CHHP)(H)2	H(CCHP)	108.9745	0.071	2	108.9745	0.005	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	109.3665	1.326	190	109.3665	1.758	190	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]C[6]Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]C[6]Mo)(CHHP)(H)2	H(CCHP)	113.4165	5.302	4	113.4165	28.114	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]MoC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Mo)(CHHP)(H)2	C(PC[6a]MoC)(CHHP)(H)2	H(CCHP)	109.1544	0.310	7	109.1544	0.096	7	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2N)(CHHP)(H)2	C(PC[6a]2N)(CHHP)(H)2	H(CCHP)	C(PC[6a]2N)(CHHP)(H)2	C(PC[6a]2N)(CHHP)(H)2	H(CCHP)	109.4745	0.018	2	109.4745	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	108.0965	0.037	2	108.0965	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	110.0915	0.533	284	110.0915	0.284	284	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHP)(H)2	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHP)(H)2	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	109.9430	0.332	59	109.9430	0.111	59	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CHHP)(H)2	C(PNi2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ni)(CHHP)(H)2	C(PNi2C)(CHHP)(H)2	H(CCHP)	109.8840	0.250	4	109.8840	0.063	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2Cu)(CHHP)(H)2	H(CCHP)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2Cu)(CHHP)(H)2	H(CCHP)	109.2445	0.063	2	109.2445	0.004	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	109.0014	0.494	38	109.0014	0.244	38	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2O)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	109.2760	0.014	3	109.2760	0.000	3	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Os)(CHHP)(H)2	C(PC[6a]2Os)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Os)(CHHP)(H)2	C(PC[6a]2Os)(CHHP)(H)2	H(CCHP)	109.9481	0.618	37	109.9481	0.382	37	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Os)(CHHP)(H)2	C(PC[6a]C[6]Os)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Os)(CHHP)(H)2	C(PC[6a]C[6]Os)(CHHP)(H)2	H(CCHP)	111.3170	3.421	2	111.3170	11.703	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2P)(CHHP)(H)2	C(PC[6a]2P)(CHHP)(H)2	H(CCHP)	C(PC[6a]2P)(CHHP)(H)2	C(PC[6a]2P)(CHHP)(H)2	H(CCHP)	109.3260	0.023	2	109.3260	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pb)(CHHP)(H)2	C(PC[6a]2Pb)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pb)(CHHP)(H)2	C(PC[6a]2Pb)(CHHP)(H)2	H(CCHP)	109.1890	0.007	2	109.1890	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	108.5605	0.967	4	108.5605	0.935	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	109.9059	0.705	185	109.9059	0.496	185	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHP)(H)2	C(PC[6a]PdC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHP)(H)2	C(PC[6a]PdC)(CHHP)(H)2	H(CCHP)	109.5734	0.525	38	109.5734	0.275	38	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	109.5920	0.800	17	109.5920	0.641	17	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHP)(H)2	C(PPdOO)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pd)(CHHP)(H)2	C(PPdOO)(CHHP)(H)2	H(CCHP)	110.0045	0.006	2	110.0045	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	109.6914	2.887	386	109.6914	8.336	386	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHP)(H)2	C(PC[6a]PtC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHP)(H)2	C(PC[6a]PtC)(CHHP)(H)2	H(CCHP)	109.5862	0.372	12	109.5862	0.138	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	108.1287	0.267	4	108.1287	0.071	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Pt)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	109.8022	0.372	28	109.8022	0.138	28	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Re)(CHHP)(H)2	C(PC[6a]2Re)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Re)(CHHP)(H)2	C(PC[6a]2Re)(CHHP)(H)2	H(CCHP)	109.0989	0.703	67	109.0989	0.495	67	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHP)(H)2	C(PC[6a]2Rh)(CHHP)(H)2	H(CCHP)	109.8468	0.633	63	109.8468	0.401	63	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Rh)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	109.6175	0.009	2	109.6175	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHP)(H)2	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	109.6962	0.725	672	109.6962	0.526	672	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHP)(H)2	C(PC[6a]RuC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHP)(H)2	C(PC[6a]RuC)(CHHP)(H)2	H(CCHP)	110.1690	6.338	4	110.1690	40.164	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHP)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Ru)(CHHP)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	109.3755	0.260	25	109.3755	0.068	25	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	109.6650	0.000	1	109.6650	0.000	1	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	109.1080	0.062	2	109.1080	0.004	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Sb)(CHHP)(H)2	C(PC[6a]2Sb)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Sb)(CHHP)(H)2	C(PC[6a]2Sb)(CHHP)(H)2	H(CCHP)	109.2077	0.024	3	109.2077	0.001	3	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Se)(CHHP)(H)2	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Se)(CHHP)(H)2	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	109.1911	0.389	18	109.1911	0.151	18	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Sn)(CHHP)(H)2	C(PC[6a]2Sn)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Sn)(CHHP)(H)2	C(PC[6a]2Sn)(CHHP)(H)2	H(CCHP)	109.4130	0.017	2	109.4130	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2U)(CHHP)(H)2	C(PC[6a]2U)(CHHP)(H)2	H(CCHP)	C(PC[6a]2U)(CHHP)(H)2	C(PC[6a]2U)(CHHP)(H)2	H(CCHP)	108.1810	0.021	2	108.1810	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2W)(CHHP)(H)2	C(PC[6a]2W)(CHHP)(H)2	H(CCHP)	C(PC[6a]2W)(CHHP)(H)2	C(PC[6a]2W)(CHHP)(H)2	H(CCHP)	109.6858	0.884	209	109.6858	0.782	209	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]3)(CHHP)(H)2	C(PC[6a]3)(CHHP)(H)2	H(CCHP)	C(PC[6a]3)(CHHP)(H)2	C(PC[6a]3)(CHHP)(H)2	H(CCHP)	109.2210	0.279	4	109.2210	0.078	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]AgC)(CHHP)(H)2	C(PC[6a]2Ag)(CHHP)(H)2	H(CCHP)	C(PC[6a]AgC)(CHHP)(H)2	C(PC[6a]2Ag)(CHHP)(H)2	H(CCHP)	108.8876	0.385	7	108.8876	0.148	7	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]AgC)(CHHP)(H)2	C(PC[6a]AgC)(CHHP)(H)2	H(CCHP)	C(PC[6a]AgC)(CHHP)(H)2	C(PC[6a]AgC)(CHHP)(H)2	H(CCHP)	108.1523	0.858	7	108.1523	0.735	7	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	109.0931	0.466	27	109.0931	0.217	27	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CC)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]CC)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	108.9667	0.213	4	108.9667	0.045	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CO)(CHHP)(H)2	C(PC[6a]CO)(CHHP)(H)2	H(CCHP)	C(PC[6a]CO)(CHHP)(H)2	C(PC[6a]CO)(CHHP)(H)2	H(CCHP)	110.0185	0.023	2	110.0185	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]I)(CHHP)(H)2	C(PC[6a]C[6]I)(CHHP)(H)2	H(CCHP)	C(PC[6a]C[6]I)(CHHP)(H)2	C(PC[6a]C[6]I)(CHHP)(H)2	H(CCHP)	111.4980	1.000	2	111.4980	1.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]Mo)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]C[6]Mo)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	111.3882	3.807	4	111.3882	14.494	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]Os)(CHHP)(H)2	C(PC[6a]2Os)(CHHP)(H)2	H(CCHP)	C(PC[6a]C[6]Os)(CHHP)(H)2	C(PC[6a]2Os)(CHHP)(H)2	H(CCHP)	111.9435	2.067	2	111.9435	4.272	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CoC)(CHHP)(H)2	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	C(PC[6a]CoC)(CHHP)(H)2	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	110.0787	0.087	4	110.0787	0.008	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]CuC)(CHHP)(H)2	C(PC[6a]CuC)(CHHP)(H)2	H(CCHP)	C(PC[6a]CuC)(CHHP)(H)2	C(PC[6a]CuC)(CHHP)(H)2	H(CCHP)	109.3517	0.287	4	109.3517	0.083	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]Fe2)(CHHP)(H)2	C(PC[6a]Fe2)(CHHP)(H)2	H(CCHP)	C(PC[6a]Fe2)(CHHP)(H)2	C(PC[6a]Fe2)(CHHP)(H)2	H(CCHP)	110.4503	0.059	3	110.4503	0.003	3	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]FeC)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	C(PC[6a]FeC)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	109.8807	0.545	41	109.8807	0.297	41	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]FeC)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	C(PC[6a]FeC)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	H(CCHP)	109.9749	0.183	12	109.9749	0.033	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]HO)(CHHP)(H)2	C(PC[6a]HO)(CHHP)(H)2	H(CCHP)	C(PC[6a]HO)(CHHP)(H)2	C(PC[6a]HO)(CHHP)(H)2	H(CCHP)	109.4250	0.045	4	109.4250	0.002	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]IrC)(CHHP)(H)2	C(PC[6a]IrC)(CHHP)(H)2	H(CCHP)	C(PC[6a]IrC)(CHHP)(H)2	C(PC[6a]IrC)(CHHP)(H)2	H(CCHP)	109.2363	0.326	3	109.2363	0.106	3	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]MoC)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	C(PC[6a]MoC)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	H(CCHP)	109.9149	0.359	8	109.9149	0.129	8	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]MoC)(CHHP)(H)2	C(PMoCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]MoC)(CHHP)(H)2	C(PMoCC)(CHHP)(H)2	H(CCHP)	103.6725	0.350	4	103.6725	0.122	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	C(PC[6a]NiC)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	110.1548	0.578	61	110.1548	0.335	61	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(CHHP)(H)2	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	C(PC[6a]NiC)(CHHP)(H)2	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	109.5654	0.208	34	109.5654	0.043	34	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]NiC)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]NiC)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	109.7450	0.052	2	109.7450	0.003	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]OO)(CHHP)(H)2	C(PC[6a]OO)(CHHP)(H)2	H(CCHP)	C(PC[6a]OO)(CHHP)(H)2	C(PC[6a]OO)(CHHP)(H)2	H(CCHP)	109.2210	0.027	2	109.2210	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	C(PC[6a]PdC)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	109.5774	0.625	33	109.5774	0.391	33	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHP)(H)2	C(PC[6a]PdC)(CHHP)(H)2	H(CCHP)	C(PC[6a]PdC)(CHHP)(H)2	C(PC[6a]PdC)(CHHP)(H)2	H(CCHP)	109.3655	1.930	29	109.3655	3.724	29	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PtC)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	C(PC[6a]PtC)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	110.1640	0.365	12	110.1640	0.133	12	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PtC)(CHHP)(H)2	C(PC[6a]PtC)(CHHP)(H)2	H(CCHP)	C(PC[6a]PtC)(CHHP)(H)2	C(PC[6a]PtC)(CHHP)(H)2	H(CCHP)	109.7968	0.122	4	109.7968	0.015	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RhC)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	C(PC[6a]RhC)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	107.8665	0.005	2	107.8665	0.000	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RhC)(CHHP)(H)2	C(PC[6a]2Rh)(CHHP)(H)2	H(CCHP)	C(PC[6a]RhC)(CHHP)(H)2	C(PC[6a]2Rh)(CHHP)(H)2	H(CCHP)	109.8505	0.098	2	109.8505	0.010	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RhC)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	C(PC[6a]RhC)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	108.8855	0.042	2	108.8855	0.002	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RhC)(CHHP)(H)2	C(PRhCC)(CHHP)(H)2	H(CCHP)	C(PC[6a]RhC)(CHHP)(H)2	C(PRhCC)(CHHP)(H)2	H(CCHP)	109.8279	0.352	15	109.8279	0.124	15	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]RuC)(CHHP)(H)2	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	C(PC[6a]RuC)(CHHP)(H)2	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	108.8347	3.130	4	108.8347	9.794	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHP)(H)2	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHP)(H)2	C(PC[6a]2Co)(CHHP)(H)2	H(CCHP)	110.0424	0.130	13	110.0424	0.017	13	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PCoCC)(CHHP)(H)2	C(PCoCC)(CHHP)(H)2	H(CCHP)	C(PCoCC)(CHHP)(H)2	C(PCoCC)(CHHP)(H)2	H(CCHP)	109.9558	0.298	45	109.9558	0.089	45	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PCrCC)(CHHP)(H)2	C(PCrCC)(CHHP)(H)2	H(CCHP)	C(PCrCC)(CHHP)(H)2	C(PCrCC)(CHHP)(H)2	H(CCHP)	109.5679	0.353	13	109.5679	0.124	13	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PCuCC)(CHHP)(H)2	C(PCuCC)(CHHP)(H)2	H(CCHP)	C(PCuCC)(CHHP)(H)2	C(PCuCC)(CHHP)(H)2	H(CCHP)	108.3971	0.815	32	108.3971	0.664	32	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CHHP)(H)2	C(PC[6]2Fe)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CHHP)(H)2	C(PC[6]2Fe)(CHHP)(H)2	H(CCHP)	110.4299	0.186	14	110.4299	0.034	14	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	H(CCHP)	110.1993	0.467	11	110.1993	0.218	11	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PFeCC)(CHHP)(H)2	C(PFeCC)(CHHP)(H)2	H(CCHP)	C(PFeCC)(CHHP)(H)2	C(PFeCC)(CHHP)(H)2	H(CCHP)	110.0206	0.897	242	110.0206	0.805	242	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PGaCC)(CHHP)(H)2	C(PGaCC)(CHHP)(H)2	H(CCHP)	C(PGaCC)(CHHP)(H)2	C(PGaCC)(CHHP)(H)2	H(CCHP)	109.0340	0.024	4	109.0340	0.001	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PIrCC)(CHHP)(H)2	C(PIrCC)(CHHP)(H)2	H(CCHP)	C(PIrCC)(CHHP)(H)2	C(PIrCC)(CHHP)(H)2	H(CCHP)	109.2336	1.605	16	109.2336	2.577	16	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PMnCC)(CHHP)(H)2	C(PMnCC)(CHHP)(H)2	H(CCHP)	C(PMnCC)(CHHP)(H)2	C(PMnCC)(CHHP)(H)2	H(CCHP)	109.8550	0.337	71	109.8550	0.114	71	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PMoCC)(CHHP)(H)2	C(PC[6a]MoC)(CHHP)(H)2	H(CCHP)	C(PMoCC)(CHHP)(H)2	C(PC[6a]MoC)(CHHP)(H)2	H(CCHP)	101.3605	0.694	4	101.3605	0.481	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PMoCC)(CHHP)(H)2	C(PMoCC)(CHHP)(H)2	H(CCHP)	C(PMoCC)(CHHP)(H)2	C(PMoCC)(CHHP)(H)2	H(CCHP)	109.4938	1.308	73	109.4938	1.711	73	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PNb[5]CC)(CHHP)(H)2	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	C(PNb[5]CC)(CHHP)(H)2	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	108.7620	0.396	4	108.7620	0.157	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PNi2C)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	C(PNi2C)(CHHP)(H)2	C(PC[6a]2Ni)(CHHP)(H)2	H(CCHP)	109.7120	0.011	3	109.7120	0.000	3	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PNiCC)(CHHP)(H)2	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	C(PNiCC)(CHHP)(H)2	C(PC[6a]NiC)(CHHP)(H)2	H(CCHP)	109.7335	0.028	2	109.7335	0.001	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PNiCC)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	C(PNiCC)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	H(CCHP)	109.3214	0.487	419	109.3214	0.237	419	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	108.7260	0.139	3	108.7260	0.019	3	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	109.6738	0.695	18	109.6738	0.484	18	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	107.2870	0.297	4	107.2870	0.088	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	109.1699	0.537	139	109.1699	0.288	139	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PPdOO)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	C(PPdOO)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	H(CCHP)	110.2880	0.057	2	110.2880	0.003	2	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PPtCC)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	C(PPtCC)(CHHP)(H)2	C(PC[6a]2Pt)(CHHP)(H)2	H(CCHP)	109.6866	0.185	27	109.6866	0.034	27	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PPtCC)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	C(PPtCC)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	H(CCHP)	109.1763	0.392	334	109.1763	0.154	334	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PReCC)(CHHP)(H)2	C(PReCC)(CHHP)(H)2	H(CCHP)	C(PReCC)(CHHP)(H)2	C(PReCC)(CHHP)(H)2	H(CCHP)	109.4502	0.600	30	109.4502	0.359	30	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PRhCC)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	C(PRhCC)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	H(CCHP)	109.6036	0.287	16	109.6036	0.082	16	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PRhCC)(CHHP)(H)2	C(PRhCC)(CHHP)(H)2	H(CCHP)	C(PRhCC)(CHHP)(H)2	C(PRhCC)(CHHP)(H)2	H(CCHP)	109.4739	0.253	97	109.4739	0.064	97	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHP)(H)2	C(PC[5]RuC)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHP)(H)2	C(PC[5]RuC)(CHHP)(H)2	H(CCHP)	108.9836	0.181	14	108.9836	0.033	14	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHP)(H)2	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHP)(H)2	C(PC[6a]2Ru)(CHHP)(H)2	H(CCHP)	110.1148	0.561	25	110.1148	0.315	25	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PRuCC)(CHHP)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	C(PRuCC)(CHHP)(H)2	C(PRuCC)(CHHP)(H)2	H(CCHP)	109.5873	0.762	287	109.5873	0.581	287	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PSbCC)(CHHP)(H)2	C(PSbCC)(CHHP)(H)2	H(CCHP)	C(PSbCC)(CHHP)(H)2	C(PSbCC)(CHHP)(H)2	H(CCHP)	109.3160	0.128	4	109.3160	0.016	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PSeCC)(CHHP)(H)2	C(PSeCC)(CHHP)(H)2	H(CCHP)	C(PSeCC)(CHHP)(H)2	C(PSeCC)(CHHP)(H)2	H(CCHP)	108.4445	0.310	6	108.4445	0.096	6	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PSnCC)(CHHP)(H)2	C(PSnCC)(CHHP)(H)2	H(CCHP)	C(PSnCC)(CHHP)(H)2	C(PSnCC)(CHHP)(H)2	H(CCHP)	109.5023	0.108	4	109.5023	0.012	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PTaCC)(CHHP)(H)2	C(PTaCC)(CHHP)(H)2	H(CCHP)	C(PTaCC)(CHHP)(H)2	C(PTaCC)(CHHP)(H)2	H(CCHP)	109.6300	0.455	4	109.6300	0.207	4	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PTiCC)(CHHP)(H)2	C(PTiCC)(CHHP)(H)2	H(CCHP)	C(PTiCC)(CHHP)(H)2	C(PTiCC)(CHHP)(H)2	H(CCHP)	109.4841	0.217	9	109.4841	0.047	9	109.5987	1.204	6006	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CSiHH)(H)2	C(SiCCO)(CHHP)(H)2	H(CCHP)	C(PC[6a]2Cu)(CSiHH)(H)2	C(SiCCO)(CHHP)(H)2	H(CCHP)	109.1298	0.261	20	109.1298	0.068	20	109.1298	0.068	20	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[4]C[4]2B)(CCHH)(H)2	C(CC[6a]HH)(CP[4]HH)(H)2	H(CP[4]CH)	C(P[4]C[4]2B)(CCHH)(H)2	C(CC[6a]HH)(CP[4]HH)(H)2	H(CP[4]CH)	108.8630	0.283	4	108.8630	0.080	4	108.7678	0.070	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[4]C[4]2Ru)(CCHH)(H)2	C(CC[6]HH)(CP[4]HH)(H)2	H(CP[4]CH)	C(P[4]C[4]2Ru)(CCHH)(H)2	C(CC[6]HH)(CP[4]HH)(H)2	H(CP[4]CH)	108.6916	0.254	5	108.6916	0.065	5	108.7678	0.070	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[4]-4:C-4:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(P[4]N[4]2Ni)(CP[4]HH)(H)2	C(P[4]N[4]2Ni)(CP[4]HH)(H)2	H(CP[4]CH)	C(P[4]N[4]2Ni)(CP[4]HH)(H)2	C(P[4]N[4]2Ni)(CP[4]HH)(H)2	H(CP[4]CH)	109.2000	0.067	6	109.2000	0.004	6	109.1465	0.010	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[4]-4:C-4:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(P[4]N[4]2Rh)(CP[4]HH)(H)2	C(P[4]N[4]2Rh)(CP[4]HH)(H)2	H(CP[4]CH)	C(P[4]N[4]2Rh)(CP[4]HH)(H)2	C(P[4]N[4]2Rh)(CP[4]HH)(H)2	H(CP[4]CH)	109.0662	0.087	4	109.0662	0.008	4	109.1465	0.010	10	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	C(BC[6a]2O)(CP[5]HH)(H)2	H(CP[5]CH)	C(P[5]C[6a]B[5]C[5])(CBHH)(H)2	C(BC[6a]2O)(CP[5]HH)(H)2	H(CP[5]CH)	108.2954	0.721	9	108.2954	0.520	9	108.2954	0.520	9	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]B[5]C[5]C)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	H(CP[5]CH)	C(P[5]B[5]C[5]C)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	H(CP[5]CH)	108.3365	0.023	2	108.3365	0.001	2	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	108.7222	0.290	6	108.7222	0.084	6	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5,6a]2B)(CCHH)(H)2	C(CP[5]HH)(CCHN)(H)2	H(CP[5]CH)	C(P[5]C[5,6a]2B)(CCHH)(H)2	C(CP[5]HH)(CCHN)(H)2	H(CP[5]CH)	109.2770	0.383	2	109.2770	0.147	2	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5,6a]2O)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	C(P[5]C[5,6a]2O)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	108.8715	0.026	2	108.8715	0.001	2	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Au)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	C(P[5]C[5]2Au)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	109.0645	0.048	4	109.0645	0.002	4	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Pd)(CCHH)(H)2	C(CP[5]CH)(CP[5]HH)(H)2	H(CP[5]CH)	C(P[5]C[5]2Pd)(CCHH)(H)2	C(CP[5]CH)(CP[5]HH)(H)2	H(CP[5]CH)	108.9325	0.033	2	108.9325	0.001	2	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	108.4044	0.789	11	108.4044	0.622	11	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CP[5]HH)2(H)2	H(CP[5]CH)	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CP[5]HH)2(H)2	H(CP[5]CH)	108.4348	0.158	4	108.4348	0.025	4	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Rh)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	C(P[5]C[5]2Rh)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	111.2558	1.258	4	111.2558	1.583	4	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Rh)(CCHH)(H)2	C(CP[5]HH)2(H)2	H(CP[5]CH)	C(P[5]C[5]2Rh)(CCHH)(H)2	C(CP[5]HH)2(H)2	H(CP[5]CH)	109.3049	0.229	7	109.3049	0.053	7	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Se)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	C(P[5]C[5]2Se)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	108.5457	0.153	3	108.5457	0.023	3	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	H(CP[5]CH)	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	H(CP[5]CH)	108.2230	0.045	2	108.2230	0.002	2	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]P[5]2Sm)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	C(P[5]P[5]2Sm)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	H(CP[5]CH)	109.3220	0.031	2	109.3220	0.001	2	108.9509	0.833	51	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Pt)(CP[5]HH)(H)2	C(P[5]C[5]2Pt)(CP[5]HH)(H)2	H(CP[5]CH)	C(P[5]C[5]2Pt)(CP[5]HH)(H)2	C(P[5]C[5]2Pt)(CP[5]HH)(H)2	H(CP[5]CH)	109.8019	0.650	45	109.8019	0.422	45	109.8013	0.354	102	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Ru)(CP[5]HH)(H)2	C(P[5]C[5]2Ru)(CP[5]HH)(H)2	H(CP[5]CH)	C(P[5]C[5]2Ru)(CP[5]HH)(H)2	C(P[5]C[5]2Ru)(CP[5]HH)(H)2	H(CP[5]CH)	109.9578	0.551	33	109.9578	0.304	33	109.8013	0.354	102	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2W)(CP[5]HH)(H)2	C(P[5]C[5]2W)(CP[5]HH)(H)2	H(CP[5]CH)	C(P[5]C[5]2W)(CP[5]HH)(H)2	C(P[5]C[5]2W)(CP[5]HH)(H)2	H(CP[5]CH)	109.2975	0.374	14	109.2975	0.140	14	109.8013	0.354	102	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[5]-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:	C(P[5]N[5,5]O[5]Pd)(CP[5]HH)(H)2	C(P[5]N[5,5]O[5]Pd)(CP[5]HH)(H)2	H(CP[5]CH)	C(P[5]N[5,5]O[5]Pd)(CP[5]HH)(H)2	C(P[5]N[5,5]O[5]Pd)(CP[5]HH)(H)2	H(CP[5]CH)	109.9876	0.320	10	109.9876	0.103	10	109.8013	0.354	102	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	C(CP[6,6]HH)2(H)2	H(CP[6,6]CH)	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	C(CP[6,6]HH)2(H)2	H(CP[6,6]CH)	108.4625	0.095	4	108.4625	0.009	4	108.4717	0.211	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CP[6,6]CH)	108.0165	0.037	2	108.0165	0.001	2	108.4717	0.211	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CP[6,6]HH)(CHHN)(H)2	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CP[6,6]HH)(CHHN)(H)2	H(CP[6,6]CH)	107.8765	0.036	2	107.8765	0.001	2	108.4717	0.211	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6,6]C[6,6]2Pd)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Pd)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CP[6,6]CH)	108.9205	0.028	2	108.9205	0.001	2	108.4717	0.211	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	H(CP[6,6]CH)	109.0915	0.019	2	109.0915	0.000	2	108.4717	0.211	12	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6,6]-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(P[6,6]C[6,6]2Pd)(CP[6,6]HH)(H)2	C(P[6,6]C[6,6]2Pd)(CP[6,6]HH)(H)2	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Pd)(CP[6,6]HH)(H)2	C(P[6,6]C[6,6]2Pd)(CP[6,6]HH)(H)2	H(CP[6,6]CH)	110.2700	0.048	2	110.2700	0.002	2	110.2700	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6]C[6]2Mn)(CCHH)(H)2	C(CP[6]HH)(CCHH)(H)2	H(CP[6]CH)	C(P[6]C[6]2Mn)(CCHH)(H)2	C(CP[6]HH)(CCHH)(H)2	H(CP[6]CH)	108.3520	0.027	2	108.3520	0.001	2	108.3407	0.066	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6]C[6]2Pt)(CCHH)(H)2	C(CP[6]HH)2(H)2	H(CP[6]CH)	C(P[6]C[6]2Pt)(CCHH)(H)2	C(CP[6]HH)2(H)2	H(CP[6]CH)	108.5647	0.022	3	108.5647	0.000	3	108.3407	0.066	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	P[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[6]O[6]2O)(CCHH)(H)2	C(CP[6]HH)(CH3)(H)2	H(CP[6]CH)	C(P[6]O[6]2O)(CCHH)(H)2	C(CP[6]HH)(CH3)(H)2	H(CP[6]CH)	107.9935	0.047	2	107.9935	0.002	2	108.3407	0.066	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(Br)(H)	C(CBrHS)(CCHO)(H)2	H(CBrCS)	C(SC[6a]OO)(CCHH)(Br)(H)	C(CBrHS)(CCHO)(H)2	H(CBrCS)	107.7743	0.182	3	107.7743	0.033	3	107.7743	0.033	3	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[5a]OO)(CCHH)(H)2	C(CCCO)(CHHS)(H)2	H(CCHS)	C(SC[5a]OO)(CCHH)(H)2	C(CCCO)(CHHS)(H)2	H(CCHS)	108.8915	0.061	4	108.8915	0.004	4	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6,6]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[6,6]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	110.1640	0.008	2	110.1640	0.000	2	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	H(CCHS)	108.9273	0.626	8	108.9273	0.392	8	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(H)2	C(CCHO)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CCHH)(H)2	C(CCHO)(CHHS)(H)2	H(CCHS)	108.7910	0.066	4	108.7910	0.004	4	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(H)2	C(CCHS)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CCHH)(H)2	C(CCHS)(CHHS)(H)2	H(CCHS)	109.0505	0.009	2	109.0505	0.000	2	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	H(CCHS)	109.0490	0.006	2	109.0490	0.000	2	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]PtO)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SC[6a]PtO)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.7117	0.469	4	108.7117	0.220	4	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]RuO)(CCHH)(H)2	C(CC[5]HH)(CHHS)(H)2	H(CCHS)	C(SC[6a]RuO)(CCHH)(H)2	C(CC[5]HH)(CHHS)(H)2	H(CCHS)	109.0580	0.017	2	109.0580	0.000	2	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SFe2O)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SFe2O)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.5115	0.008	2	108.5115	0.000	2	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SMn2C)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	C(SMn2C)(CCHH)(H)2	C(CHHS)2(H)2	H(CCHS)	108.2960	0.083	4	108.2960	0.007	4	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SPtCO)(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	C(SPtCO)(CCHH)(H)2	C(CHHS)(CH3)(H)2	H(CCHS)	108.8505	0.477	4	108.8505	0.227	4	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SRhOO)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	C(SRhOO)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	H(CCHS)	108.8295	0.018	2	108.8295	0.000	2	108.8726	0.241	40	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(SFe2H)(CHHN)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	C(SFe2H)(CHHN)(H)2	C(CHHS)(NH3)(H)2	H(CCHS)	109.3170	0.415	4	109.3170	0.172	4	109.3170	0.172	4	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SC[5a]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	C(SC[5a]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	109.9350	0.016	2	109.9350	0.000	2	110.0035	1.422	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SN[3]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	C(SN[3]OO)(CSiHH)(H)2	C(CHHS)(SiC3)(H)2	H(CCHS)	110.0263	1.410	6	110.0263	1.988	6	110.0035	1.422	8	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CHHS)(H)2	H(CCHS)	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]C)(CHHS)(H)2	H(CCHS)	112.2790	0.522	2	112.2790	0.272	2	110.1993	2.912	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CHHS)(H)2	H(CCHS)	C(SC[5a]OO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CHHS)(H)2	H(CCHS)	108.9960	1.097	2	108.9960	1.204	2	110.1993	2.912	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CHHS)(H)2	H(CCHS)	109.3230	0.030	2	109.3230	0.001	2	110.1993	2.912	6	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(SC[5a]OO)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CHHS)(H)2	H(CCHS)	C(SC[5a]OO)(CC[6]HH)(H)2	C(C[6]C[6]O[6]H)(CHHS)(H)2	H(CCHS)	108.7490	0.025	2	108.7490	0.001	2	108.7431	0.375	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CHHS)(H)2	H(CCHS)	108.0835	0.006	2	108.0835	0.000	2	108.7431	0.375	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	H(CCHS)	108.4440	0.000	1	108.4440	0.000	1	108.7431	0.375	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]N[6]C)(CHHS)(H)2	H(CCHS)	C(SC[6a]OO)(CC[6]HH)(H)2	C(C[6]C[6]N[6]C)(CHHS)(H)2	H(CCHS)	109.5465	0.006	2	109.5465	0.000	2	108.7431	0.375	7	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]Ru2)(CHHN)(H)2	C(NRuCH)(CHHS)(H)2	H(CCHS)	C(SC[6a]Ru2)(CHHN)(H)2	C(NRuCH)(CHHS)(H)2	H(CCHS)	110.1890	0.035	2	110.1890	0.001	2	110.4241	1.157	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]RuO)(CHHN)(H)2	C(NC[6]RuC)(CHHS)(H)2	H(CCHS)	C(SC[6a]RuO)(CHHN)(H)2	C(NC[6]RuC)(CHHS)(H)2	H(CCHS)	109.5998	0.666	4	109.5998	0.443	4	110.4241	1.157	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SC[6a]RuO)(CHHN)(H)2	C(NRuCC)(CHHS)(H)2	H(CCHS)	C(SC[6a]RuO)(CHHN)(H)2	C(NRuCC)(CHHS)(H)2	H(CCHS)	110.9968	0.054	4	110.9968	0.003	4	110.4241	1.157	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(SNiOO)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	C(SNiOO)(CHHN)(H)2	C(NNiCC)(CHHS)(H)2	H(CCHS)	110.6086	1.410	8	110.6086	1.988	8	110.4241	1.157	18	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SC[5]RhO)(CHHS)(H)2	C(SC[5]RhO)(CHHS)(H)2	H(CCHS)	C(SC[5]RhO)(CHHS)(H)2	C(SC[5]RhO)(CHHS)(H)2	H(CCHS)	109.8170	0.327	4	109.8170	0.107	4	109.8489	0.549	45	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SC[6a]PtO)(CHHS)(H)2	C(SC[6a]PtO)(CHHS)(H)2	H(CCHS)	C(SC[6a]PtO)(CHHS)(H)2	C(SC[6a]PtO)(CHHS)(H)2	H(CCHS)	109.4640	2.546	2	109.4640	6.480	2	109.8489	0.549	45	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SC[6a]RuO)(CHHS)(H)2	C(SC[6a]RuO)(CHHS)(H)2	H(CCHS)	C(SC[6a]RuO)(CHHS)(H)2	C(SC[6a]RuO)(CHHS)(H)2	H(CCHS)	110.4357	0.025	4	110.4357	0.001	4	109.8489	0.549	45	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SIrCO)(CHHS)(H)2	C(SIrCO)(CHHS)(H)2	H(CCHS)	C(SIrCO)(CHHS)(H)2	C(SIrCO)(CHHS)(H)2	H(CCHS)	109.8435	0.556	15	109.8435	0.309	15	109.8489	0.549	45	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SPdOO)(CHHS)(H)2	C(SPdOO)(CHHS)(H)2	H(CCHS)	C(SPdOO)(CHHS)(H)2	C(SPdOO)(CHHS)(H)2	H(CCHS)	109.8455	1.023	4	109.8455	1.047	4	109.8489	0.549	45	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SPtCO)(CHHS)(H)2	C(SPtCO)(CHHS)(H)2	H(CCHS)	C(SPtCO)(CHHS)(H)2	C(SPtCO)(CHHS)(H)2	H(CCHS)	109.8565	1.360	4	109.8565	1.851	4	109.8489	0.549	45	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(SRhCO)(CHHS)(H)2	C(SRhCO)(CHHS)(H)2	H(CCHS)	C(SRhCO)(CHHS)(H)2	C(SRhCO)(CHHS)(H)2	H(CCHS)	109.7332	0.475	12	109.7332	0.225	12	109.8489	0.549	45	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	S[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(S[5]C[5]N[5]O)(CCHH)(H)2	C(CS[5]HH)(CCHN)(H)2	H(CS[5]CH)	C(S[5]C[5]N[5]O)(CCHH)(H)2	C(CS[5]HH)(CCHN)(H)2	H(CS[5]CH)	108.1790	0.508	2	108.1790	0.258	2	108.1790	0.258	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Se-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(SeC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	H(CSeCH)	C(SeC[6a]OO)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	H(CSeCH)	110.0600	0.328	16	110.0600	0.108	16	110.0600	0.108	16	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCCH)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	C(SiCCH)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	109.3970	0.004	2	109.3970	0.000	2	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	109.2197	1.244	6	109.2197	1.548	6	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	108.0552	0.435	13	108.0552	0.189	13	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	108.6967	0.053	3	108.6967	0.003	3	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	107.9345	0.093	4	107.9345	0.009	4	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.2258	0.599	4	108.2258	0.359	4	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	H(CSiCH)	108.7592	0.417	6	108.7592	0.174	6	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHS)(H)2	H(CSiCH)	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHS)(H)2	H(CSiCH)	108.9260	0.854	8	108.9260	0.729	8	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[5]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiC[5]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.7490	0.018	2	108.7490	0.000	2	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[5]MnH)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiC[5]MnH)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	107.8070	0.007	2	107.8070	0.000	2	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]2C)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	H(CSiCH)	C(SiC[6a]2C)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	H(CSiCH)	108.6470	0.017	2	108.6470	0.000	2	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]3)(CCHH)(H)2	C(CC[6a]HH)(CSiHH)(H)2	H(CSiCH)	C(SiC[6a]3)(CCHH)(H)2	C(CC[6a]HH)(CSiHH)(H)2	H(CSiCH)	109.5785	0.254	2	109.5785	0.064	2	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]3)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiC[6a]3)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	107.4600	0.004	2	107.4600	0.000	2	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.3694	0.381	20	108.3694	0.145	20	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	C(SiC[6a]CC)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	108.1415	0.007	4	108.1415	0.000	4	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCl2C)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiCl2C)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	111.0122	1.597	4	111.0122	2.551	4	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	107.9970	0.093	2	107.9970	0.009	2	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiHHN)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiHHN)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.8920	0.000	1	108.8920	0.000	1	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiIrCC)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	C(SiIrCC)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	107.3094	0.292	18	107.3094	0.085	18	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiIrCF)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	C(SiIrCF)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	H(CSiCH)	108.3340	0.000	1	108.3340	0.000	1	108.3660	0.913	106	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(SiCCO)(CHHS)(H)2	C(CSiHH)(SCOO)(H)2	H(CSiCH)	C(SiCCO)(CHHS)(H)2	C(CSiHH)(SCOO)(H)2	H(CSiCH)	108.7692	0.387	4	108.7692	0.150	4	108.9132	0.216	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(SiN[5]OO)(CHHS)(H)2	C(CSiHH)(SC3)(H)2	H(CSiCH)	C(SiN[5]OO)(CHHS)(H)2	C(CSiHH)(SC3)(H)2	H(CSiCH)	109.4890	0.000	1	109.4890	0.000	1	108.9132	0.216	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SiC[5]CO)(CSiHH)(H)2	C(CSiHH)(SiCCO)(H)2	H(CSiCH)	C(SiC[5]CO)(CSiHH)(H)2	C(CSiHH)(SiCCO)(H)2	H(CSiCH)	109.0713	0.145	7	109.0713	0.021	7	108.7948	0.717	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	C(CSiHH)(SiC3)(H)2	H(CSiCH)	C(SiC[5x3,5x5,20x6]CC)(CSiHH)(H)2	C(CSiHH)(SiC3)(H)2	H(CSiCH)	108.1765	0.047	2	108.1765	0.002	2	108.7948	0.717	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiCCN)(H)2	H(CSiCH)	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiCCN)(H)2	H(CSiCH)	108.8843	1.583	6	108.8843	2.505	6	108.7948	0.717	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiF3)(H)2	H(CSiCH)	C(SiC[6a]2C)(CSiHH)(H)2	C(CSiHH)(SiF3)(H)2	H(CSiCH)	108.5952	0.165	4	108.5952	0.027	4	108.7948	0.717	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(SiC[6a]CC)(CSiHH)(H)2	C(CSiHH)(SiCOO)(H)2	H(CSiCH)	C(SiC[6a]CC)(CSiHH)(H)2	C(CSiHH)(SiCOO)(H)2	H(CSiCH)	108.5755	0.042	2	108.5755	0.002	2	108.7948	0.717	21	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(SiCCO)(CHHP)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	H(CSiCH)	C(SiCCO)(CHHP)(H)2	C(PC[6a]2Cu)(CSiHH)(H)2	H(CSiCH)	108.6026	0.299	20	108.6026	0.089	20	108.6026	0.089	20	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiBrHH)(CSiHH)(H)2	C(SiBrHH)(CSiHH)(H)2	H(CSiCH)	C(SiBrHH)(CSiHH)(H)2	C(SiBrHH)(CSiHH)(H)2	H(CSiCH)	109.6605	1.435	2	109.6605	2.058	2	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiC[5]CC)(CSiHH)(H)2	C(SiC[5]CC)(CSiHH)(H)2	H(CSiCH)	C(SiC[5]CC)(CSiHH)(H)2	C(SiC[5]CC)(CSiHH)(H)2	H(CSiCH)	108.3084	1.684	35	108.3084	2.835	35	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiC[5a]CC)(CSiHH)(H)2	C(SiC[5a]CC)(CSiHH)(H)2	H(CSiCH)	C(SiC[5a]CC)(CSiHH)(H)2	C(SiC[5a]CC)(CSiHH)(H)2	H(CSiCH)	108.8475	0.215	4	108.8475	0.046	4	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiC[6]CC)(CSiHH)(H)2	C(SiC[6]CC)(CSiHH)(H)2	H(CSiCH)	C(SiC[6]CC)(CSiHH)(H)2	C(SiC[6]CC)(CSiHH)(H)2	H(CSiCH)	108.6660	0.167	4	108.6660	0.028	4	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]CC)(CSiHH)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	H(CSiCH)	C(SiC[6a]CC)(CSiHH)(H)2	C(SiC[6a]CC)(CSiHH)(H)2	H(CSiCH)	108.2275	0.295	12	108.2275	0.087	12	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiP[5]CC)(CSiHH)(H)2	C(SiP[5]CC)(CSiHH)(H)2	H(CSiCH)	C(SiP[5]CC)(CSiHH)(H)2	C(SiP[5]CC)(CSiHH)(H)2	H(CSiCH)	111.4510	2.485	4	111.4510	6.175	4	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiRuCC)(CSiHH)(H)2	C(SiRuCC)(CSiHH)(H)2	H(CSiCH)	C(SiRuCC)(CSiHH)(H)2	C(SiRuCC)(CSiHH)(H)2	H(CSiCH)	109.9698	1.290	4	109.9698	1.665	4	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(SiSi2O)(CSiHH)(H)2	C(SiSi2O)(CSiHH)(H)2	H(CSiCH)	C(SiSi2O)(CSiHH)(H)2	C(SiSi2O)(CSiHH)(H)2	H(CSiCH)	108.0778	0.663	9	108.0778	0.439	9	108.6119	2.415	74	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si[3]-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(Si[3]C[3]2N)(CSiHH)(H)2	C(CSi[3]HH)(SiSi3)(H)2	H(CSi[3]CH)	C(Si[3]C[3]2N)(CSiHH)(H)2	C(CSi[3]HH)(SiSi3)(H)2	H(CSi[3]CH)	108.7105	0.019	2	108.7105	0.000	2	108.7105	0.000	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CSi[5]CH)	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CSi[5]CH)	109.0420	0.000	1	109.0420	0.000	1	108.3770	0.187	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CSi[5]CH)	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	H(CSi[5]CH)	107.9910	0.011	2	107.9910	0.000	2	108.3770	0.187	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	C(CSi[5]HH)(CH3)(H)2	H(CSi[5]CH)	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	C(CSi[5]HH)(CH3)(H)2	H(CSi[5]CH)	108.4305	0.049	2	108.4305	0.002	2	108.3770	0.187	5	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:1:1:	4:	Si[5]-4:C-4:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	H(CSi[5]CH)	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	C(Si[5]C[5,6a]C[5]Cl)(CSi[5]HH)(H)2	H(CSi[5]CH)	109.2900	0.048	2	109.2900	0.002	2	109.2900	0.002	2	108.9170	1.388	179660	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)2(OH)(H)	H(CBrCC)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)2(OH)(H)	H(CBrCC)	108.8697	0.427	4	108.8697	0.183	4	107.6108	1.840	18	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	H(CBrCC)	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	H(CBrCC)	106.9481	1.259	9	106.9481	1.585	9	107.6108	1.840	18	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCFH)(OSi)(H)	H(CBrCC)	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCFH)(OSi)(H)	H(CBrCC)	108.9710	0.000	1	108.9710	0.000	1	107.6108	1.840	18	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	H(CBrCC)	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	H(CBrCC)	109.4180	0.000	1	109.4180	0.000	1	107.6108	1.840	18	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HN)(CCHO)(Br)(H)	C(CBrCH)(CHHS)(OH)(H)	H(CBrCC)	C(CC[6a]HN)(CCHO)(Br)(H)	C(CBrCH)(CHHS)(OH)(H)	H(CBrCC)	107.4390	0.000	1	107.4390	0.000	1	107.6108	1.840	18	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HN)(CCHO)(Br)(H)	C(CBrCH)(CHHS)(OSi)(H)	H(CBrCC)	C(CC[6a]HN)(CCHO)(Br)(H)	C(CBrCH)(CHHS)(OSi)(H)	H(CBrCC)	106.5770	0.693	2	106.5770	0.480	2	107.6108	1.840	18	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CC[6a]HH)(CClCH)(OH)(H)	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CC[6a]HH)(CClCH)(OH)(H)	H(CClCC)	107.3350	0.000	1	107.3350	0.000	1	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(OC)(H)	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(OC)(H)	H(CClCC)	107.1770	0.000	1	107.1770	0.000	1	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHN)(OH)(H)	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHN)(OH)(H)	H(CClCC)	106.6350	0.331	2	106.6350	0.110	2	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CHHO)(OH)(H)	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CHHO)(OH)(H)	H(CClCC)	107.9920	0.000	1	107.9920	0.000	1	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)2(OC)(H)	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)2(OC)(H)	H(CClCC)	108.4175	0.255	2	108.4175	0.065	2	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	107.8790	0.000	1	107.8790	0.000	1	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(Cl)(H)	C(CC[5]HO)(CClCH)(OH)(H)	H(CClCC)	C(CCHO)(CH3)(Cl)(H)	C(CC[5]HO)(CClCH)(OH)(H)	H(CClCC)	108.2330	0.000	1	108.2330	0.000	1	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(OH)(H)	H(CClCC)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(OH)(H)	H(CClCC)	108.3723	0.456	3	108.3723	0.208	3	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)2(OC)(H)	H(CClCC)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)2(OC)(H)	H(CClCC)	107.3475	0.104	2	107.3475	0.011	2	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	108.7870	0.000	1	108.7870	0.000	1	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	H(CClCC)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	H(CClCC)	109.7360	0.000	1	109.7360	0.000	1	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(OS)(H)	H(CClCC)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(OS)(H)	H(CClCC)	107.8053	0.249	4	107.8053	0.062	4	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)2(OH)(H)	H(CClCC)	108.4527	0.832	7	108.4527	0.692	7	108.0536	0.639	27	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHH)(OS)(H)	H(CCCF)	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHH)(OS)(H)	H(CCCF)	105.3840	0.000	1	105.3840	0.000	1	107.6974	1.475	8	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHN)(OH)(H)	H(CCCF)	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHN)(OH)(H)	H(CCCF)	108.1830	0.000	1	108.1830	0.000	1	107.6974	1.475	8	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CHHN)(OC)(H)	H(CCCF)	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CHHN)(OC)(H)	H(CCCF)	107.6075	0.854	4	107.6075	0.729	4	107.6974	1.475	8	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(F)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	H(CCCF)	C(CCHO)(CH3)(F)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	H(CCCF)	109.0430	0.000	1	109.0430	0.000	1	107.6974	1.475	8	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(F)(H)	C(CBrCH)(CCFH)(OSi)(H)	H(CCCF)	C(CC[6a]HO)(CCHO)(F)(H)	C(CBrCH)(CCFH)(OSi)(H)	H(CCCF)	108.5390	0.000	1	108.5390	0.000	1	107.6974	1.475	8	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:F-1:	C-4:	C(CCCF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(CC)(F)	H(CCCH)	C(CCCF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(CC)(F)	H(CCCH)	108.0995	0.037	2	108.0995	0.001	2	108.0995	0.001	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CC)(H)	H(CCCH)	109.1655	0.012	2	109.1655	0.000	2	108.6862	0.114	12	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CN)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CN)(H)	H(CCCH)	108.9345	0.009	2	108.9345	0.000	2	108.6862	0.114	12	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(CF3)(H)2	C(CCHH)2(CN)(H)	H(CCCH)	C(CCCH)(CF3)(H)2	C(CCHH)2(CN)(H)	H(CCCH)	108.3150	0.023	2	108.3150	0.001	2	108.6862	0.114	12	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CC)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CC)(H)	H(CCCH)	108.8900	0.020	2	108.8900	0.000	2	108.6862	0.114	12	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CH3)(CC)(H)	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CH3)(CC)(H)	H(CCCH)	108.4060	0.015	4	108.4060	0.000	4	108.6862	0.114	12	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NC)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NC)(H)	H(CCCH)	108.3040	0.040	2	108.3040	0.002	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NS)(H)	H(CCCH)	109.2085	0.384	2	109.2085	0.147	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NN)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NN)(H)	H(CCCH)	108.6770	0.119	2	108.6770	0.014	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NC)(H)	H(CCCH)	107.5845	0.049	2	107.5845	0.002	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NC)(H)	H(CCCH)	108.4585	0.009	2	108.4585	0.000	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NS)(H)	H(CCCH)	108.8325	0.097	2	108.8325	0.009	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CF3)(H)2	C(CC[6a]HH)(CCHH)(NN)(H)	H(CCCH)	C(CCHN)(CF3)(H)2	C(CC[6a]HH)(CCHH)(NN)(H)	H(CCCH)	108.4610	0.023	2	108.4610	0.001	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NC)(H)	H(CCCH)	108.0845	2.641	4	108.0845	6.972	4	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCCH)	108.5620	0.018	2	108.5620	0.000	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CClHH)(CCHH)(NC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CClHH)(CCHH)(NC)(H)	H(CCCH)	106.5198	3.830	4	106.5198	14.668	4	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(CHHS)(NS)(H)	H(CCCH)	108.6420	0.024	2	108.6420	0.001	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCCN)(CCHH)(NS)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCCN)(CCHH)(NS)(H)	H(CCCH)	109.3320	0.045	4	109.3320	0.002	4	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CSiCC)(CCHH)(NP)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CSiCC)(CCHH)(NP)(H)	H(CCCH)	109.0300	0.006	2	109.0300	0.000	2	108.3520	2.813	32	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CBrCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	C(CBrCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	108.7015	0.023	2	108.7015	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CBrHS)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CBrHS)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.4725	0.036	2	108.4725	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CBrHS)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	C(CBrHS)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	108.8643	0.052	3	108.8643	0.003	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.4633	0.313	4	108.4633	0.098	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	107.6126	0.402	14	107.6126	0.162	14	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	107.4571	0.341	9	107.4571	0.116	9	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	107.6157	0.858	3	107.6157	0.736	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	108.6161	1.097	8	108.6161	1.203	8	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	108.3100	0.673	14	108.3100	0.453	14	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCCH)	108.0220	0.006	2	108.0220	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	108.3535	0.174	13	108.3535	0.030	13	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	107.8940	0.049	2	107.8940	0.002	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	H(CCCH)	109.0360	0.016	2	109.0360	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	H(CCCH)	108.9613	0.287	3	108.9613	0.082	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCO)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	H(CCCH)	C(CCCO)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	H(CCCH)	108.7805	0.054	2	108.7805	0.003	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCFF)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	H(CCCH)	C(CCFF)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	H(CCCH)	108.5765	0.045	2	108.5765	0.002	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CBrCC)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CBrCC)(CCHH)(OC)(H)	H(CCCH)	109.2045	0.006	2	109.2045	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	108.4939	0.233	12	108.4939	0.054	12	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CBrHH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CBrHH)(CCHH)(OC)(H)	H(CCCH)	108.7315	0.032	2	108.7315	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.1733	0.493	25	108.1733	0.243	25	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	108.3072	0.603	39	108.3072	0.363	39	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	108.4245	0.008	2	108.4245	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	109.0289	1.153	9	109.0289	1.330	9	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	108.7320	0.546	29	108.7320	0.298	29	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCFH)(CCHH)(OS)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCFH)(CCHH)(OS)(H)	H(CCCH)	105.3720	0.270	2	105.3720	0.073	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	108.7795	0.039	2	108.7795	0.002	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	111.9060	0.788	4	111.9060	0.620	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHI)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHI)(OC)(H)	H(CCCH)	108.0320	0.024	2	108.0320	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OC)(H)	H(CCCH)	108.2117	0.118	4	108.2117	0.014	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	107.9133	0.066	4	107.9133	0.004	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	108.5037	0.280	20	108.5037	0.079	20	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	108.4527	0.531	38	108.4527	0.282	38	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OS)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OS)(H)	H(CCCH)	107.7050	0.919	2	107.7050	0.845	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CF3)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CF3)(OH)(H)	H(CCCH)	109.1035	0.066	2	109.1035	0.004	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.4830	0.452	60	108.4830	0.204	60	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.6046	1.293	29	108.6046	1.673	29	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OS)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OS)(H)	H(CCCH)	108.2370	0.011	3	108.2370	0.000	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	108.9947	2.389	12	108.9947	5.707	12	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(OSi)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(OSi)(H)	H(CCCH)	109.1860	0.000	1	109.1860	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	108.7179	0.687	66	108.7179	0.472	66	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.5343	0.685	53	108.5343	0.470	53	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OC)(H)	H(CCCH)	108.9225	0.052	2	108.9225	0.003	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	H(CCCH)	109.0742	0.077	6	109.0742	0.006	6	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(OC)(H)	H(CCCH)	108.0245	0.005	2	108.0245	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[5]HO)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[5]HO)(CCHH)(OC)(H)	H(CCCH)	108.2780	0.013	2	108.2780	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6]CH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6]CH)(CCHH)(OC)(H)	H(CCCH)	108.1160	0.034	2	108.1160	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OC)(H)	H(CCCH)	108.5965	0.015	2	108.5965	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	108.2085	0.015	2	108.2085	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6]HO)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6]HO)(CCHH)(OH)(H)	H(CCCH)	109.0450	0.186	3	109.0450	0.034	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6a]CC)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6a]CC)(CCHH)(OH)(H)	H(CCCH)	107.7850	0.979	4	107.7850	0.958	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	H(CCCH)	108.3755	0.009	2	108.3755	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6a]ClH)(CCHH)(OP)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6a]ClH)(CCHH)(OP)(H)	H(CCCH)	108.8065	0.022	2	108.8065	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	108.3830	0.006	2	108.3830	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	H(CCCH)	108.7570	0.071	8	108.7570	0.005	8	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	H(CCCH)	108.4937	0.425	3	108.4937	0.181	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CN[5a]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CN[5a]HH)(CCHH)(OH)(H)	H(CCCH)	108.8750	0.033	2	108.8750	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CPdCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CPdCH)(CCHH)(OC)(H)	H(CCCH)	108.6667	0.085	6	108.6667	0.007	6	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(H)2	C(CPtCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHH)(CCHO)(H)2	C(CPtCH)(CCHH)(OC)(H)	H(CCCH)	108.3925	0.177	2	108.3925	0.032	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	108.6617	0.311	4	108.6617	0.097	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	H(CCCH)	109.3585	0.006	2	109.3585	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	108.4926	0.378	11	108.4926	0.143	11	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	C(CCHO)(CC3)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	108.0305	0.018	2	108.0305	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(H)2	C(CSiHH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CC3)(H)2	C(CSiHH)(CCHH)(OC)(H)	H(CCCH)	107.6410	0.044	2	107.6410	0.002	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(H)2	C(CSiHH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CC3)(H)2	C(CSiHH)(CCHH)(OH)(H)	H(CCCH)	105.5572	0.808	4	105.5572	0.653	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCHP)(H)2	C(CC[6a]HO)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CCHP)(H)2	C(CC[6a]HO)(CCHH)(OH)(H)	H(CCCH)	109.2410	0.000	1	109.2410	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	108.6040	0.000	1	108.6040	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.8869	0.253	8	108.8869	0.064	8	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	108.7135	0.086	6	108.7135	0.007	6	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	109.0910	0.030	2	109.0910	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.4080	0.960	30	108.4080	0.921	30	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCCH)	108.9156	0.030	5	108.9156	0.001	5	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	108.9350	0.028	2	108.9350	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.6953	0.229	4	108.6953	0.052	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CC[4]CC)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CC[4]CC)(CCHH)(OC)(H)	H(CCCH)	107.5855	0.257	2	107.5855	0.066	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CC[6]CH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CC[6]CH)(CCHH)(OH)(H)	H(CCCH)	108.4110	0.629	2	108.4110	0.396	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CC[6]CN)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CC[6]CN)(CCHH)(OC)(H)	H(CCCH)	109.3160	0.018	2	109.3160	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CC[6]CO)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CC[6]CO)(CCHH)(OC)(H)	H(CCCH)	108.9900	0.008	2	108.9900	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	108.5785	0.129	4	108.5785	0.017	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	H(CCCH)	108.8185	0.030	2	108.8185	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.9385	0.059	2	108.9385	0.003	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	109.2650	0.020	2	109.2650	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OH)(H)	H(CCCH)	107.9580	0.014	2	107.9580	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OSi)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OSi)(H)	H(CCCH)	108.4135	0.066	2	108.4135	0.004	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OC)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OC)(H)	H(CCCH)	108.1035	0.018	2	108.1035	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OH)(H)	H(CCCH)	109.1980	0.000	1	109.1980	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	107.8780	0.045	2	107.8780	0.002	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	108.0470	0.000	1	108.0470	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OSi)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OSi)(H)	H(CCCH)	107.9430	0.000	1	107.9430	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.6992	0.253	10	108.6992	0.064	10	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.8698	1.569	4	108.8698	2.461	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OS)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OS)(H)	H(CCCH)	108.0475	0.008	2	108.0475	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.4955	0.022	2	108.4955	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CC[6]CC)(CCHH)(OSi)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CC[6]CC)(CCHH)(OSi)(H)	H(CCCH)	109.4930	0.412	4	109.4930	0.169	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	108.7278	0.222	4	108.7278	0.050	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(H)2	C(CClCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CHHO)(H)2	C(CClCH)(CCHH)(OC)(H)	H(CCCH)	109.3035	0.006	2	109.3035	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHS)(H)2	C(CCHH)(CCHO)(OSi)(H)	H(CCCH)	C(CCHO)(CHHS)(H)2	C(CCHH)(CCHO)(OSi)(H)	H(CCCH)	109.4703	0.097	4	109.4703	0.009	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHOO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)(CHOO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.7120	0.021	2	108.7120	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	109.0364	0.165	8	109.0364	0.027	8	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	108.1157	0.619	3	108.1157	0.383	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	110.1028	2.655	4	110.1028	7.051	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	108.6580	0.039	3	108.6580	0.002	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	107.3855	0.009	2	107.3855	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	108.2910	0.336	10	108.2910	0.113	10	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	108.1866	0.305	12	108.1866	0.093	12	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CF3)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CF3)(OH)(H)	H(CCCH)	108.9128	0.035	4	108.9128	0.001	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.3098	0.383	49	108.3098	0.147	49	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.4757	0.126	8	108.4757	0.016	8	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)(CH3)(OSi)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)(CH3)(OSi)(H)	H(CCCH)	108.2183	0.088	3	108.2183	0.008	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	H(CCCH)	108.4951	0.325	15	108.4951	0.105	15	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.5576	0.405	15	108.5576	0.164	15	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CCHH)2(OSi)(H)	H(CCCH)	C(CCHO)2(H)2	C(CCHH)2(OSi)(H)	H(CCCH)	108.2180	0.941	4	108.2180	0.885	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CC[5]CH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CC[5]CH)(CCHH)(OH)(H)	H(CCCH)	109.1595	0.035	2	109.1595	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	108.7993	0.337	12	108.7993	0.113	12	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CC[6]HO)(CCHH)(OH)(H)	H(CCCH)	C(CCHO)2(H)2	C(CC[6]HO)(CCHH)(OH)(H)	H(CCCH)	108.4520	0.083	2	108.4520	0.007	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(H)2	C(CPdCH)(CCHH)(OSi)(H)	H(CCCH)	C(CCHO)2(H)2	C(CPdCH)(CCHH)(OSi)(H)	H(CCCH)	108.2990	0.151	4	108.2990	0.023	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]HH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	C(CC[3]HH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	107.4123	0.052	4	107.4123	0.003	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CC[3]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	109.1220	0.007	2	109.1220	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[4,6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	C(CC[4,6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	108.8675	0.009	2	108.8675	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]CH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]CH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	108.0866	0.067	5	108.0866	0.004	5	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	108.3485	0.046	4	108.3485	0.002	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CC3)(OH)(H)	H(CCCH)	108.2750	0.103	3	108.2750	0.011	3	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.6200	0.127	4	108.6200	0.016	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	107.9718	2.043	4	107.9718	4.175	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CHHO)(OH)(H)	H(CCCH)	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CHHO)(OH)(H)	H(CCCH)	108.8395	0.016	2	108.8395	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	105.8410	0.000	1	105.8410	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.8140	0.024	2	108.8140	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CC[5]HO)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	107.7990	0.031	2	107.7990	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5a]HH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CC[5a]HH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.2125	0.006	2	108.2125	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5a]HN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	C(CC[5a]HN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	108.7413	0.166	4	108.7413	0.027	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	C(CC[5a]HO)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	108.9387	0.170	4	108.9387	0.029	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]CH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CC[6]CH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	108.5265	0.005	2	108.5265	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	H(CCCH)	107.8014	3.193	5	107.8014	10.197	5	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	H(CCCH)	108.3085	0.273	11	108.3085	0.075	11	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	H(CCCH)	107.8780	0.017	2	107.8780	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	H(CCCH)	107.6472	0.295	4	107.6472	0.087	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	101.8561	7.764	2	101.8561	60.279	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)2(OC)(H)	H(CCCH)	108.5215	0.026	2	108.5215	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.7900	0.261	6	108.7900	0.068	6	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CCCH)	108.3555	0.016	2	108.3555	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]2H)(CCHO)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCCH)	C(CC[6a]2H)(CCHO)(H)2	C(CCHH)(CHHO)(OC)(H)	H(CCCH)	107.6635	1.453	4	107.6635	2.110	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]2O)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]2O)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	108.3865	0.012	2	108.3865	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]CH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CC[6a]CH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.8310	0.010	2	108.8310	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.4665	0.062	2	108.4665	0.004	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	109.0294	0.189	7	109.0294	0.036	7	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CC3)(OSi)(H)	H(CCCH)	108.5885	0.042	2	108.5885	0.002	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	107.7892	2.187	4	107.7892	4.784	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.7015	0.568	2	108.7015	0.322	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CHHS)(OH)(H)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CHHS)(OH)(H)	H(CCCH)	108.9715	0.652	4	108.9715	0.425	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)2(OH)(H)	H(CCCH)	108.4627	0.467	4	108.4627	0.218	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HN)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	C(CC[6a]HN)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	H(CCCH)	108.8860	0.017	2	108.8860	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	H(CCCH)	108.3217	0.609	6	108.3217	0.370	6	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]SiH)(CCHO)(H)2	C(CClHH)(CCHH)(OC)(H)	H(CCCH)	C(CC[6a]SiH)(CCHO)(H)2	C(CClHH)(CCHH)(OC)(H)	H(CCCH)	108.6105	0.025	2	108.6105	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]SiO)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CC[6a]SiO)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	107.8250	0.027	2	107.8250	0.001	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCC)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	C(CClCC)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	H(CCCH)	107.9685	0.062	2	107.9685	0.004	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	C(CClCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	H(CCCH)	107.1205	0.013	2	107.1205	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	H(CCCH)	108.1075	0.009	2	108.1075	0.000	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	C(CClCH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	H(CCCH)	108.6150	0.000	1	108.6150	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(H)2	C(CClCH)(CCHH)(OH)(H)	H(CCCH)	C(CClCH)(CCHO)(H)2	C(CClCH)(CCHH)(OH)(H)	H(CCCH)	108.8177	0.142	6	108.8177	0.020	6	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	C(CN[5]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	H(CCCH)	108.6370	1.775	2	108.6370	3.150	2	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5a]CH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	C(CN[5a]CH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	H(CCCH)	107.9030	0.000	1	107.9030	0.000	1	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[5a]HH)(CCHO)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCCH)	C(CN[5a]HH)(CCHO)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCCH)	106.4920	1.469	4	106.4920	2.159	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CRhCH)(CCHO)(H)2	C(CRhCH)(CCHH)(OH)(H)	H(CCCH)	C(CRhCH)(CCHO)(H)2	C(CRhCH)(CCHH)(OH)(H)	H(CCCH)	114.4172	2.265	4	114.4172	5.132	4	108.4889	0.971	1018	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SC)(H)	H(CCCH)	107.9750	0.491	2	107.9750	0.241	2	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)2(SC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)2(SC)(H)	H(CCCH)	108.3210	0.544	2	108.3210	0.296	2	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(CF3)(H)2	C(CCHH)2(SC)(H)	H(CCCH)	C(CCHS)(CF3)(H)2	C(CCHH)2(SC)(H)	H(CCCH)	108.1690	0.027	2	108.1690	0.001	2	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(CCHN)(SS)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(CCHN)(SS)(H)	H(CCCH)	108.6587	0.127	6	108.6587	0.016	6	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(CH3)(SZn)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(CH3)(SZn)(H)	H(CCCH)	105.8585	0.066	2	105.8585	0.004	2	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd)(H)	H(CCCH)	108.4897	0.274	9	108.4897	0.075	9	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPt)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPt)(H)	H(CCCH)	108.9975	0.053	2	108.9975	0.003	2	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CC[6a]CF)(CCHH)(SC)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CC[6a]CF)(CCHH)(SC)(H)	H(CCCH)	108.6465	0.098	2	108.6465	0.010	2	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHS)2(H)2	C(CCHH)(CH3)(SC)(H)	H(CCCH)	C(CCHS)2(H)2	C(CCHH)(CH3)(SC)(H)	H(CCCH)	107.9327	0.053	10	107.9327	0.003	10	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CReHH)(CCHS)(H)2	C(CCHH)(CH3)(SRe)(H)	H(CCCH)	C(CReHH)(CCHS)(H)2	C(CCHH)(CH3)(SRe)(H)	H(CCCH)	109.6350	0.068	2	109.6350	0.005	2	108.2793	0.543	39	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Se-2:H-1:	C-4:	C(CSeCH)(CF3)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	H(CCCH)	C(CSeCH)(CF3)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	H(CCCH)	108.7950	0.361	4	108.7950	0.130	4	108.7950	0.130	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:O-2:H-1:	C-4:	C(CN[5]HH)(CSiHO)(H)2	C(CCHH)(SiC3)(OH)(H)	H(CCCH)	C(CN[5]HH)(CSiHO)(H)2	C(CCHH)(SiC3)(OH)(H)	H(CCCH)	110.0485	5.617	2	110.0485	31.546	2	110.0485	31.546	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3,5,6]-4:C-4:O-2:H-1:	C-4:	C(CC[3,5,6]HO)(CH3)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	H(CCCH)	C(CC[3,5,6]HO)(CH3)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	H(CCCH)	109.1465	0.011	2	109.1465	0.000	2	109.1465	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3,6]-4:C-4:O-2:H-1:	C-4:	C(CC[3,6]HO)(CH3)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	H(CCCH)	C(CC[3,6]HO)(CH3)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	H(CCCH)	108.2550	0.021	2	108.2550	0.000	2	108.2550	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	H(CCCH)	108.5720	0.083	2	108.5720	0.007	2	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(OH)(H)	H(CCCH)	108.0305	0.022	2	108.0305	0.000	2	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(CCCH)	108.6685	0.202	2	108.6685	0.041	2	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(CCCH)	108.0740	0.044	2	108.0740	0.002	2	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CC[5]CH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[3]HO)(CC[5]CH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(CCCH)	108.5302	0.128	4	108.5302	0.016	4	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(CCCH)	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(CCCH)	108.5497	0.087	6	108.5497	0.008	6	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OP)(H)	H(CCCH)	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OP)(H)	H(CCCH)	108.7410	0.014	2	108.7410	0.000	2	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(CCCH)	107.2570	0.020	2	107.2570	0.000	2	108.3684	0.183	22	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[4,5]-4:C-4:O-2:H-1:	C-4:	C(CC[4,5]HO)(CC[5]CO)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	H(CCCH)	C(CC[4,5]HO)(CC[5]CO)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	H(CCCH)	107.2145	0.029	2	107.2145	0.001	2	107.2145	0.001	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(OH)(H)	H(CCCH)	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(OH)(H)	H(CCCH)	108.7580	0.018	2	108.7580	0.000	2	108.4529	0.187	10	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	H(CCCH)	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	H(CCCH)	108.1868	0.101	4	108.1868	0.010	4	108.4529	0.187	10	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CC[6]HH)(H)2	C(C[4]C[4]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[4]HO)(CC[6]HH)(H)2	C(C[4]C[4]2H)(CCHH)(OH)(H)	H(CCCH)	108.0340	0.021	2	108.0340	0.000	2	108.4529	0.187	10	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CH3)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[4]HO)(CH3)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	H(CCCH)	109.0990	0.007	2	109.0990	0.000	2	108.4529	0.187	10	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:S-2:H-1:	C-4:	C(CC[4]HS)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(SC)(H)	H(CCCH)	C(CC[4]HS)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(SC)(H)	H(CCCH)	108.8440	0.051	2	108.8440	0.003	2	108.8440	0.003	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6,6]HO)(CHHN)(H)2	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	H(CCCH)	C(CC[5,6,6]HO)(CHHN)(H)2	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	H(CCCH)	108.2595	0.148	6	108.2595	0.022	6	108.1299	0.136	7	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:	C(CC[5,6,6]HO)(CN[6]HH)(H)2	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	H(CCCH)	C(CC[5,6,6]HO)(CN[6]HH)(H)2	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	H(CCCH)	107.3520	0.000	1	107.3520	0.000	1	108.1299	0.136	7	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-2:H-1:	C-4:	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	H(CCCH)	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	H(CCCH)	108.5050	0.021	2	108.5050	0.000	2	108.5050	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	H(CCCH)	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	H(CCCH)	108.8464	0.352	7	108.8464	0.124	7	108.8464	0.124	7	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]CO)(CC[5]HO)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]CO)(CC[5]HO)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	H(CCCH)	108.0410	0.000	1	108.0410	0.000	1	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	H(CCCH)	108.3710	0.090	3	108.3710	0.008	3	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	H(CCCH)	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	H(CCCH)	108.2540	0.031	2	108.2540	0.001	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	108.3205	0.885	2	108.3205	0.783	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	H(CCCH)	108.3305	0.061	8	108.3305	0.004	8	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	H(CCCH)	108.3800	0.000	1	108.3800	0.000	1	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]2O)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]2O)(CCHH)(OC)(H)	H(CCCH)	106.8200	0.051	2	106.8200	0.003	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	H(CCCH)	108.4940	0.037	2	108.4940	0.001	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	H(CCCH)	107.0420	0.233	2	107.0420	0.054	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	H(CCCH)	109.0830	0.018	2	109.0830	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	H(CCCH)	108.5395	0.050	2	108.5395	0.003	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	H(CCCH)	108.3070	0.000	1	108.3070	0.000	1	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(OH)(H)	H(CCCH)	109.1078	0.242	4	109.1078	0.059	4	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	H(CCCH)	108.4605	0.021	2	108.4605	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	H(CCCH)	108.6965	0.011	2	108.6965	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	H(CCCH)	109.0127	0.157	6	109.0127	0.025	6	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(CCCH)	108.7990	0.216	5	108.7990	0.047	5	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	108.5330	0.751	10	108.5330	0.564	10	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	H(CCCH)	108.7825	0.005	2	108.7825	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(H)2	C(C[5]O[5]2C)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHH)(H)2	C(C[5]O[5]2C)(CCHH)(OH)(H)	H(CCCH)	109.0470	0.014	2	109.0470	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(CCCH)	107.8135	0.037	2	107.8135	0.001	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	106.9765	2.719	2	106.9765	7.392	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CCHO)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	H(CCCH)	108.8855	0.026	2	108.8855	0.001	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	H(CCCH)	108.7670	0.007	2	108.7670	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	H(CCCH)	108.9305	0.125	4	108.9305	0.016	4	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	H(CCCH)	109.2590	0.131	4	109.2590	0.017	4	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	H(CCCH)	109.1950	0.013	2	109.1950	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	H(CCCH)	108.7135	0.037	2	108.7135	0.001	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	H(CCCH)	109.0670	0.035	2	109.0670	0.001	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHN)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HO)(CHHN)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(CCCH)	108.1940	0.000	1	108.1940	0.000	1	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	H(CCCH)	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	H(CCCH)	108.4750	0.000	1	108.4750	0.000	1	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	H(CCCH)	109.0640	0.028	2	109.0640	0.001	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[6a]CH)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]CH)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	H(CCCH)	107.1525	0.013	2	107.1525	0.000	2	108.5404	0.507	89	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:S-2:H-1:	C-4:	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	H(CCCH)	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	H(CCCH)	108.7390	0.018	2	108.7390	0.000	2	108.7917	0.008	3	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:S-2:H-1:	C-4:	C(CC[5]HS)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	H(CCCH)	C(CC[5]HS)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	H(CCCH)	108.8970	0.000	1	108.8970	0.000	1	108.7917	0.008	3	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	H(CCCH)	106.9495	0.057	2	106.9495	0.003	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	H(CCCH)	108.6225	0.029	2	108.6225	0.001	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	H(CCCH)	107.4283	0.295	11	107.4283	0.087	11	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	H(CCCH)	108.8438	3.240	8	108.8438	10.498	8	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	H(CCCH)	108.2690	0.000	1	108.2690	0.000	1	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	108.4453	0.394	6	108.4453	0.155	6	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	H(CCCH)	108.3570	0.011	2	108.3570	0.000	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(CCCH)	105.0250	2.017	2	105.0250	4.067	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	H(CCCH)	108.5610	0.043	3	108.5610	0.002	3	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(OC)(H)	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(OC)(H)	H(CCCH)	109.5940	0.024	2	109.5940	0.001	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	107.8560	0.014	2	107.8560	0.000	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	H(CCCH)	108.9527	0.141	3	108.9527	0.020	3	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHN)(H)2	C(C[6]C[6]2H)(CCHH)(OSi)(H)	H(CCCH)	C(CC[6]HO)(CCHN)(H)2	C(C[6]C[6]2H)(CCHH)(OSi)(H)	H(CCCH)	109.0750	0.023	2	109.0750	0.001	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	109.0160	0.023	2	109.0160	0.001	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	H(CCCH)	106.9570	1.148	2	106.9570	1.319	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	H(CCCH)	108.7915	0.013	2	108.7915	0.000	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	H(CCCH)	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	H(CCCH)	108.9815	0.090	2	108.9815	0.008	2	108.1925	2.426	54	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:S-2:H-1:	C-4:	C(CC[6]HH)(CC[6]HS)(H)2	C(C[6]C[6]2H)(CCHH)(SC)(H)	H(CCCH)	C(CC[6]HH)(CC[6]HS)(H)2	C(C[6]C[6]2H)(CCHH)(SC)(H)	H(CCCH)	108.4770	0.011	2	108.4770	0.000	2	108.4770	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-2:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CC)(H)	H(CCCH)	108.7215	1.129	2	108.7215	1.275	2	108.7215	1.275	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CHOP)(H)2	C(PC[6a]OO)(CCHH)(OP)(H)	H(CCCH)	C(CCCH)(CHOP)(H)2	C(PC[6a]OO)(CCHH)(OP)(H)	H(CCCH)	108.4025	0.021	2	108.4025	0.000	2	108.3643	1.290	6	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CHOP)(H)2	C(PC[6a]2O)(CCHH)(OH)(H)	H(CCCH)	C(CCHH)(CHOP)(H)2	C(PC[6a]2O)(CCHH)(OH)(H)	H(CCCH)	108.6160	2.481	2	108.6160	6.153	2	108.3643	1.290	6	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:O-2:H-1:	C-4:	C(CHHP)(CHOP)(H)2	C(PC[6a]2Pd)(CCHH)(OH)(H)	H(CCCH)	C(CHHP)(CHOP)(H)2	C(PC[6a]2Pd)(CCHH)(OH)(H)	H(CCCH)	108.0745	0.029	2	108.0745	0.001	2	108.3643	1.290	6	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:O-2:H-1:	C-4:	C(CP[5]HO)(CCCH)(H)2	C(P[5]N[5]2O)(CCHH)(OC)(H)	H(CCCH)	C(CP[5]HO)(CCCH)(H)2	C(P[5]N[5]2O)(CCHH)(OC)(H)	H(CCCH)	108.3675	0.189	2	108.3675	0.036	2	108.3675	0.036	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHI)(OC)(H)	H(CCCI)	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHI)(OC)(H)	H(CCCI)	104.9800	0.000	1	104.9800	0.000	1	104.9800	0.000	1	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OC)(H)	H(CCHN)	107.6020	0.153	4	107.6020	0.023	4	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCHN)	109.2024	1.432	16	109.2024	2.050	16	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OP)(H)	H(CCHN)	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OP)(H)	H(CCHN)	108.7140	0.011	2	108.7140	0.000	2	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC3)(H)2	C(CClHH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NC3)(H)2	C(CClHH)(CHHN)(OH)(H)	H(CCHN)	107.7265	0.083	2	107.7265	0.007	2	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC3)(H)2	C(CHHN)(CH3)(OC)(H)	H(CCHN)	C(CCHO)(NC3)(H)2	C(CHHN)(CH3)(OC)(H)	H(CCHN)	107.8930	0.057	2	107.8930	0.003	2	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NC3)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	C(CCHO)(NC3)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	107.9055	0.030	2	107.9055	0.001	2	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCCH)(H)2	C(CFHH)(CHHN)(OC)(H)	H(CCHN)	C(CCHO)(NCCH)(H)2	C(CFHH)(CHHN)(OC)(H)	H(CCHN)	108.3025	1.546	2	108.3025	2.391	2	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCCH)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	C(CCHO)(NCCH)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	109.1418	0.096	4	109.1418	0.009	4	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCCH)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NCCH)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.2315	0.030	2	109.2315	0.001	2	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCHH)(H)2	C(CCHO)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NCHH)(H)2	C(CCHO)(CHHN)(OH)(H)	H(CCHN)	109.8310	0.020	2	109.8310	0.000	2	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	109.0560	0.000	1	109.0560	0.000	1	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OH)(H)	H(CCHN)	109.2526	0.505	14	109.2526	0.255	14	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCHH)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NCHH)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.1925	0.411	6	109.1925	0.169	6	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCHN)	C(CCHO)(NH3)(H)2	C(CCHH)(CHHN)(OH)(H)	H(CCHN)	110.4696	1.635	12	110.4696	2.674	12	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	C(CCHO)(NH3)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	109.4253	0.045	4	109.4253	0.002	4	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	C(CCHO)(NH3)(H)2	C(CHHN)(CHHO)(OC)(H)	H(CCHN)	109.2410	0.000	1	109.2410	0.000	1	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(CCHO)(NH3)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.0053	0.407	4	109.0053	0.165	4	109.1971	1.409	80	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	H(CCHN)	C(CC[6]HO)(NCHH)(H)2	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	H(CCHN)	109.2659	1.037	9	109.2659	1.074	9	109.2659	1.074	9	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(PCCS)(H)2	C(CHHP)(CC3)(OH)(H)	H(CCHP)	C(CCHO)(PCCS)(H)2	C(CHHP)(CC3)(OH)(H)	H(CCHP)	108.7622	0.082	4	108.7622	0.007	4	108.7622	0.007	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SCOO)(H)2	C(CHHS)(CC3)(OC)(H)	H(CCHS)	C(CCHO)(SCOO)(H)2	C(CHHS)(CC3)(OC)(H)	H(CCHS)	108.6320	0.018	2	108.6320	0.000	2	108.7728	0.027	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(SO3)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	H(CCHS)	C(CCHO)(SO3)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	H(CCHS)	108.9135	0.052	2	108.9135	0.003	2	108.7728	0.027	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	H(CC[3,5]CH)	108.7625	0.025	2	108.7625	0.001	2	108.7625	0.001	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CCHO)(H)2	C(CC[3]HH)(CCHO)(OC)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CCHO)(H)2	C(CC[3]HH)(CCHO)(OC)(H)	H(CC[3]CH)	109.2650	0.096	4	109.2650	0.009	4	109.0527	0.340	13	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CCHO)(H)2	C(CC[3]HH)(CH3)(OC)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CCHO)(H)2	C(CC[3]HH)(CH3)(OC)(H)	H(CC[3]CH)	108.7930	0.000	1	108.7930	0.000	1	109.0527	0.340	13	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CC[3]HH)(CCCH)(OC)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CC[3]HH)(CCCH)(OC)(H)	H(CC[3]CH)	108.9460	0.379	2	108.9460	0.144	2	109.0527	0.340	13	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CCCH)(OH)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CCCH)(OH)(H)	H(CC[3]CH)	109.1560	0.013	2	109.1560	0.000	2	109.0527	0.340	13	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CCHO)(OH)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CCHO)(OH)(H)	H(CC[3]CH)	109.8465	0.033	2	109.8465	0.001	2	109.0527	0.340	13	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CH3)(OC)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CC[3]HH)(CH3)(OC)(H)	H(CC[3]CH)	107.9675	0.015	2	107.9675	0.000	2	109.0527	0.340	13	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	H(CC[3]CH)	107.5028	0.242	4	107.5028	0.059	4	107.5028	0.059	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[3x5]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	H(CC[3x5]CH)	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	H(CC[3x5]CH)	107.6983	0.006	3	107.6983	0.000	3	107.6983	0.000	3	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[4]C[4]2O)(CCHO)(H)2	C(CC[4]HH)(CH3)(ON)(H)	H(CC[4]CH)	C(C[4]C[4]2O)(CCHO)(H)2	C(CC[4]HH)(CH3)(ON)(H)	H(CC[4]CH)	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[4]-4:C-4:H-1:H-1:	C[3,5]-4:C-4:O-2:H-1:	C-4:	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	H(CC[4]CH)	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	H(CC[4]CH)	108.8210	0.042	2	108.8210	0.002	2	108.8210	0.002	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[4]-4:C-4:H-1:H-1:	C[3x6]-4:C-4:N-2:H-1:	C-4:	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	H(CC[4]CH)	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	H(CC[4]CH)	108.8605	0.049	2	108.8605	0.002	2	108.8605	0.002	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[4]C[4]2C)(CC[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	H(CC[4]CH)	C(C[4]C[4]2C)(CC[6]HO)(H)2	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	H(CC[4]CH)	108.2650	0.000	1	108.2650	0.000	1	108.6747	0.127	3	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[4]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[4]C[4]O[4]H)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	H(CC[4]CH)	C(C[4]C[4]O[4]H)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	H(CC[4]CH)	108.8795	0.039	2	108.8795	0.002	2	108.6747	0.127	3	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	C(CC[5,5]HH)(CCCH)(OC)(H)	H(CC[5,5]CH)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	C(CC[5,5]HH)(CCCH)(OC)(H)	H(CC[5,5]CH)	108.0005	2.552	2	108.0005	6.512	2	108.0005	6.512	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	H(CC[5,5]CH)	107.9010	0.024	2	107.9010	0.001	2	107.9010	0.001	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C(CC[5,6,6]HH)(CHHN)(OH)(H)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C(CC[5,6,6]HH)(CHHN)(OH)(H)	H(CC[5,6,6]CH)	106.3020	0.010	2	106.3020	0.000	2	106.3020	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C[5]-4:O-2:H-1:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	H(CC[5,6,6]CH)	107.2200	0.027	2	107.2200	0.001	2	107.7482	0.375	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C[5]-4:O-2:H-1:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	H(CC[5,6,6]CH)	108.2765	0.090	2	108.2765	0.008	2	107.7482	0.375	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[4,5]-4:C-4:O-2:H-1:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	H(CC[5,6]CH)	107.5577	0.042	3	107.5577	0.002	3	107.5577	0.002	3	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	H(CC[5,6]CH)	107.4014	0.508	8	107.4014	0.258	8	107.4888	0.161	40	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	H(CC[5,6]CH)	107.5107	0.377	32	107.5107	0.142	32	107.4888	0.161	40	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	C(CC[5]BrH)(CH3)(OC)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	C(CC[5]BrH)(CH3)(OC)(H)	H(CC[5]BrC)	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[5]O[5]2H)(CCCH)(H)2	C(CC[5]HH)(CCHN)(CN)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CCCH)(H)2	C(CC[5]HH)(CCHN)(CN)(H)	H(CC[5]CH)	109.1110	0.020	2	109.1110	0.000	2	109.1110	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CC[5]HH)(CCHH)(OC)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CC[5]HH)(CCHH)(OC)(H)	H(CC[5]CH)	108.4025	0.021	2	108.4025	0.000	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	C(CC[5]HH)(CHHN)(OC)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	C(CC[5]HH)(CHHN)(OC)(H)	H(CC[5]CH)	107.3005	0.054	2	107.3005	0.003	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	H(CC[5]CH)	107.9065	0.025	2	107.9065	0.001	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]CO)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]CO)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.3585	0.009	2	108.3585	0.000	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2O)(CCHO)(H)2	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHO)(H)2	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CH)	107.8752	0.129	6	107.8752	0.017	6	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2S)(CCHO)(H)2	C(CC[5]HH)(CClHH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2S)(CCHO)(H)2	C(CC[5]HH)(CClHH)(OH)(H)	H(CC[5]CH)	106.7085	0.402	2	106.7085	0.162	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	H(CC[5]CH)	108.5715	0.589	4	108.5715	0.347	4	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CCHO)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CCHO)(OC)(H)	H(CC[5]CH)	108.5415	0.261	6	108.5415	0.068	6	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CCHO)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CCHO)(OH)(H)	H(CC[5]CH)	107.8822	0.276	4	107.8822	0.076	4	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CH3)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CH3)(OC)(H)	H(CC[5]CH)	108.4481	0.116	7	108.4481	0.014	7	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CHHO)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)(CHHO)(OH)(H)	H(CC[5]CH)	108.7965	0.035	2	108.7965	0.001	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	H(CC[5]CH)	108.7540	0.069	2	108.7540	0.005	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C(CC[5]HH)(CH3)(OC)(H)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C(CC[5]HH)(CH3)(OC)(H)	H(CC[5]CH)	108.1440	0.000	1	108.1440	0.000	1	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]O[5]2C)(CCHO)(H)2	C(CC[5]HH)(CCCH)(OH)(H)	H(CC[5]CH)	C(C[5]O[5]2C)(CCHO)(H)2	C(CC[5]HH)(CCCH)(OH)(H)	H(CC[5]CH)	108.4020	0.006	2	108.4020	0.000	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]O[5]2H)(CCHO)(H)2	C(CC[6a]CH)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CCHO)(H)2	C(CC[6a]CH)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.6320	0.440	2	108.6320	0.193	2	108.2200	0.289	46	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.0550	0.000	1	108.0550	0.000	1	108.2222	1.011	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HO)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HO)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	H(CC[5]CH)	108.3320	0.000	1	108.3320	0.000	1	108.2222	1.011	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HO)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HO)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.5464	0.291	16	108.5464	0.085	16	108.2222	1.011	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(C[5]O[5]2C)(CC[3]HO)(H)2	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[3]HO)(H)2	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	H(CC[5]CH)	105.6570	1.747	2	105.6570	3.050	2	108.2222	1.011	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	H(CC[5]CH)	107.6220	0.024	2	107.6220	0.001	2	107.6220	0.001	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	109.2135	0.008	2	109.2135	0.000	2	108.0348	2.162	5	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2C)(CC[5]HO)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[5]HO)(H)2	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	H(CC[5]CH)	106.4320	0.105	2	106.4320	0.011	2	108.0348	2.162	5	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.8830	0.000	1	108.8830	0.000	1	108.0348	2.162	5	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	108.5403	0.037	3	108.5403	0.001	3	108.0349	0.224	8	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	H(CC[5]CH)	107.7316	0.291	5	107.7316	0.085	5	108.0349	0.224	8	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	107.6784	0.258	8	107.6784	0.067	8	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHN)(OC)(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHN)(OC)(H)	H(CC[6]CH)	107.6985	2.401	2	107.6985	5.763	2	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C(CC[6]HH)(CH3)(OC)(H)	H(CC[6]CH)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C(CC[6]HH)(CH3)(OC)(H)	H(CC[6]CH)	108.1560	0.028	2	108.1560	0.001	2	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CCHO)(H)2	C(CC[6]HH)(CCCO)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CCHO)(H)2	C(CC[6]HH)(CCCO)(OH)(H)	H(CC[6]CH)	107.2185	0.006	2	107.2185	0.000	2	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CCHO)(H)2	C(CC[6]HH)(CH3)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHO)(H)2	C(CC[6]HH)(CH3)(OH)(H)	H(CC[6]CH)	108.3030	0.172	4	108.3030	0.029	4	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OC)(H)	H(CC[6]CH)	109.0190	0.048	2	109.0190	0.002	2	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	108.8383	0.024	4	108.8383	0.001	4	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHO)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHO)(OH)(H)	H(CC[6]CH)	107.8758	0.327	4	107.8758	0.107	4	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6a]HH)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6a]HH)(CC[6]HH)(OH)(H)	H(CC[6]CH)	108.7385	0.068	4	108.7385	0.005	4	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CN[6a]HH)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CN[6a]HH)(CC[6]HH)(OH)(H)	H(CC[6]CH)	108.8980	0.023	2	108.8980	0.001	2	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	108.6782	0.287	13	108.6782	0.082	13	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]O)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	H(CC[6]CH)	109.5300	0.600	3	109.5300	0.360	3	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]S[6]2C)(CCHO)(H)2	C(CC[5]HO)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]S[6]2C)(CCHO)(H)2	C(CC[5]HO)(CC[6]HH)(OH)(H)	H(CC[6]CH)	107.8580	0.027	2	107.8580	0.001	2	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]S[6]2H)(CCHO)(H)2	C(CC[6]HH)(CCHO)(OC)(H)	H(CC[6]CH)	C(C[6]S[6]2H)(CCHO)(H)2	C(CC[6]HH)(CCHO)(OC)(H)	H(CC[6]CH)	108.2070	0.000	1	108.2070	0.000	1	108.3728	0.490	53	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	H(CC[6]CH)	108.3432	0.271	4	108.3432	0.073	4	108.3432	0.073	4	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5,5]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	H(CC[6]CH)	108.1560	0.047	2	108.1560	0.002	2	108.1560	0.002	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	H(CC[6]CH)	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	H(CC[6]CH)	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	H(CC[6]CH)	105.5995	0.036	4	105.5995	0.001	4	106.8922	4.011	6	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	H(CC[6]CH)	109.4775	0.013	2	109.4775	0.000	2	106.8922	4.011	6	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCoCC)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NCoCC)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	111.7865	4.598	4	111.7865	21.141	4	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCoCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NCoCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.2322	0.528	25	109.2322	0.279	25	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCuCC)(CCHO)(H)2	C(CHHN)(CC3)(OH)(H)	H(CCHN)	C(NCuCC)(CCHO)(H)2	C(CHHN)(CC3)(OH)(H)	H(CCHN)	107.8900	0.189	4	107.8900	0.036	4	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCuCH)(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	C(NCuCH)(CCHO)(H)2	C(CHHN)(CH3)(OH)(H)	H(CCHN)	108.6750	0.042	2	108.6750	0.002	2	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCuCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NCuCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.1300	0.134	4	109.1300	0.018	4	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NNiCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NNiCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.0820	0.118	4	109.0820	0.014	4	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NPdHH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NPdHH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	109.0798	0.085	4	109.0798	0.007	4	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NZnCC)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NZnCC)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	108.6495	0.039	2	108.6495	0.002	2	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NZnCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	C(NZnCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	H(CCHN)	108.8230	0.040	2	108.8230	0.002	2	109.2347	2.110	51	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(NNiCC)(CCHS)(H)2	C(CHHN)(CH3)(SNi)(H)	H(CCHN)	C(NNiCC)(CCHS)(H)2	C(CHHN)(CH3)(SNi)(H)	H(CCHN)	109.2210	0.087	5	109.2210	0.008	5	109.2210	0.008	5	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:O-2:H-1:	C-4:	C(NCoHH)(CHNO)(H)2	C(NCoCH)(CHHN)(OH)(H)	H(CCHN)	C(NCoHH)(CHNO)(H)2	C(NCoCH)(CHHN)(OH)(H)	H(CCHN)	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2H)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	H(CN[5]CH)	C(N[5]C[5]2H)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	H(CN[5]CH)	109.1380	0.044	2	109.1380	0.002	2	109.1380	0.002	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OH)(H)	H(CN[6]CH)	108.3250	0.191	4	108.3250	0.037	4	108.6922	0.849	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CN[6]CH)	108.7116	0.166	12	108.7116	0.028	12	108.6922	0.849	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	H(CN[6]CH)	109.3280	0.055	2	109.3280	0.003	2	108.6922	0.849	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(N[6]C[6]2O)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CN[6]CH)	C(N[6]C[6]2O)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	H(CN[6]CH)	108.6745	3.789	2	108.6745	14.359	2	108.6922	0.849	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(PPdCC)(CCCH)(H)2	C(CHHP)(CH3)(CN)(H)	H(CCHP)	C(PPdCC)(CCCH)(H)2	C(CHHP)(CH3)(CN)(H)	H(CCHP)	106.9920	0.017	2	106.9920	0.000	2	106.9920	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(PC[6a]2O)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	H(CCHP)	C(PC[6a]2O)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	H(CCHP)	107.9670	0.059	2	107.9670	0.004	2	107.9670	0.004	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHH)(CHHP)(SPd)(H)	H(CCHP)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHH)(CHHP)(SPd)(H)	H(CCHP)	109.4293	0.461	10	109.4293	0.213	10	109.5397	0.241	12	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(PC[6a]2Pt)(CCHS)(H)2	C(CCHH)(CHHP)(SPt)(H)	H(CCHP)	C(PC[6a]2Pt)(CCHS)(H)2	C(CCHH)(CHHP)(SPt)(H)	H(CCHP)	110.0915	0.032	2	110.0915	0.001	2	109.5397	0.241	12	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CC3)(OC)(H)	H(CCHS)	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CC3)(OC)(H)	H(CCHS)	109.0154	0.165	9	109.0154	0.027	9	109.2976	1.566	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CH3)(OC)(H)	H(CCHS)	C(SC[6]OO)(CCHO)(H)2	C(CHHS)(CH3)(OC)(H)	H(CCHS)	110.5700	2.107	5	110.5700	4.438	5	109.2976	1.566	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]OO)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	H(CCHS)	C(SC[6a]OO)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	H(CCHS)	109.0715	0.023	2	109.0715	0.001	2	109.2976	1.566	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SC[6a]OO)(CCHO)(H)2	C(CCHH)(CHHS)(OH)(H)	H(CCHS)	C(SC[6a]OO)(CCHO)(H)2	C(CCHH)(CHHS)(OH)(H)	H(CCHS)	108.4550	0.088	4	108.4550	0.008	4	109.2976	1.566	20	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NS)(H)	H(CSiCH)	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NS)(H)	H(CSiCH)	107.0770	0.017	2	107.0770	0.000	2	107.0770	0.000	2	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OC)(H)	H(CSiCH)	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OC)(H)	H(CSiCH)	108.2950	0.000	1	108.2950	0.000	1	108.0018	0.147	5	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OH)(H)	H(CSiCH)	C(SiCCO)(CCHO)(H)2	C(CSiHH)(CCHH)(OH)(H)	H(CSiCH)	107.9285	0.400	4	107.9285	0.160	4	108.0018	0.147	5	108.4795	1.107	1830	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CCCH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	H(CCCH)	C(CCCH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	H(CCCH)	108.2470	0.072	6	108.2470	0.005	6	108.2213	0.086	10	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(CCHH)2(CN)2	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(CCHH)2(CN)2	H(CCCH)	108.1827	0.495	4	108.1827	0.245	4	108.2213	0.086	10	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CC)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CC)(OH)	H(CCCH)	108.6937	0.756	4	108.6937	0.571	4	108.7221	0.288	7	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCO)(CH3)(H)2	C(CCHH)(CCHN)(CC)(OH)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CCHH)(CCHN)(CC)(OH)	H(CCCH)	108.7600	0.064	3	108.7600	0.004	3	108.7221	0.288	7	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-2:H-2:	C-4:	C(CCHH)2(H)2	C(CCHH)(CH3)(HNa)2	H(CCCH)	C(CCHH)2(H)2	C(CCHH)(CH3)(HNa)2	H(CCCH)	109.3853	0.064	3	109.3853	0.004	3	109.3853	0.004	3	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:C-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(OSi)(CC)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(OSi)(CC)	H(CCCH)	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCHH)(CCOO)(H)2	C(CCHH)2(OO)2	H(CCCH)	C(CCHH)(CCOO)(H)2	C(CCHH)2(OO)2	H(CCCH)	108.0148	1.393	28	108.0148	1.942	28	108.3161	1.423	44	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)(CH3)(H)2	C(CCHH)2(OO)2	H(CCCH)	C(CCOO)(CH3)(H)2	C(CCHH)2(OO)2	H(CCCH)	108.8260	0.080	14	108.8260	0.006	14	108.3161	1.423	44	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:	C(CCOO)2(H)2	C(CCHH)(CF3)(OC)(OH)	H(CCCH)	C(CCOO)2(H)2	C(CCHH)(CF3)(OC)(OH)	H(CCCH)	108.9665	1.286	2	108.9665	1.654	2	108.3161	1.423	44	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:2:2:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:O-2:	C-4:	C(CC[6]OO)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	H(CCCH)	C(CC[6]OO)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	H(CCCH)	108.2565	0.006	2	108.2565	0.000	2	108.2565	0.000	2	108.3972	1.032	67	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CH3)(NHS)(H)	H(CClCC)	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CH3)(NHS)(H)	H(CClCC)	107.3740	0.000	1	107.3740	0.000	1	108.4027	0.717	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(NCH)(H)	H(CClCC)	C(CCHN)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(NCH)(H)	H(CClCC)	108.7457	0.608	3	108.7457	0.370	3	108.4027	0.717	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CCHH)(NCS)(H)	H(CCCF)	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CCHH)(NCS)(H)	H(CCCF)	110.3740	0.000	1	110.3740	0.000	1	108.8124	1.391	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CH3)(NSS)(H)	H(CCCF)	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CH3)(NSS)(H)	H(CCCF)	107.0710	0.000	1	107.0710	0.000	1	108.8124	1.391	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CHHO)(NHH)(H)	H(CCCF)	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CHHO)(NHH)(H)	H(CCCF)	109.1060	0.000	1	109.1060	0.000	1	108.8124	1.391	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(F)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	H(CCCF)	C(CCHN)(CH3)(F)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	H(CCCF)	108.7555	0.008	2	108.7555	0.000	2	108.8124	1.391	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:C-3:H-1:	C-4:	C(CBCH)(CH3)(H)2	C(BC[5]FF)(CCHH)(COO)(H)	H(CCCH)	C(CBCH)(CH3)(H)2	C(BC[5]FF)(CCHH)(COO)(H)	H(CCCH)	108.8900	0.010	2	108.8900	0.000	2	108.7658	0.014	6	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	B-4:C-4:C-3:H-1:	C-4:	C(CBCH)(CH3)(H)2	C(BC[5]HH)(CCHH)(COO)(H)	H(CCCH)	C(CBCH)(CH3)(H)2	C(BC[5]HH)(CCHH)(COO)(H)	H(CCCH)	108.7037	0.092	4	108.7037	0.008	4	108.7658	0.014	6	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:B-3:H-1:	C-4:	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCN)(H)	H(CCCH)	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCN)(H)	H(CCCH)	107.9113	0.189	6	107.9113	0.036	6	108.1170	0.093	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:B-3:H-1:	C-4:	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCO)(H)	H(CCCH)	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCO)(H)	H(CCCH)	108.4255	0.092	4	108.4255	0.009	4	108.1170	0.093	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:F-1:	C-4:	C(CCCF)(CCHN)(H)2	C(CCHH)(CCSS)(COO)(F)	H(CCCH)	C(CCCF)(CCHN)(H)2	C(CCHH)(CCSS)(COO)(F)	H(CCCH)	108.3330	0.007	2	108.3330	0.000	2	108.3330	0.000	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CC3)(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	C(CCCH)(CC3)(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	107.4450	0.024	3	107.4450	0.001	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.2467	0.028	3	108.2467	0.001	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCC)(H)	H(CCCH)	108.5613	0.106	4	108.5613	0.011	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCH)(H)	H(CCCH)	108.7595	0.013	2	108.7595	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCO)(H)	H(CCCH)	107.6570	3.209	2	107.6570	10.297	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(COO)(H)	H(CCCH)	107.5255	0.030	2	107.5255	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CCC)(H)	H(CCCH)	107.9537	1.268	4	107.9537	1.607	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CNO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CNO)(H)	H(CCCH)	108.6110	0.024	2	108.6110	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(COO)(H)	H(CCCH)	107.6243	0.215	4	107.6243	0.046	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCH)(H)	H(CCCH)	108.8297	0.190	3	108.8297	0.036	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCO)(H)	H(CCCH)	108.4175	0.030	2	108.4175	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CNO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CNO)(H)	H(CCCH)	107.9550	1.302	6	107.9550	1.695	6	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(H)	H(CCCH)	108.6316	0.123	5	108.6316	0.015	5	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(CCH)(H)	H(CCCH)	108.6385	0.006	2	108.6385	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(COO)(H)	H(CCCH)	109.1560	0.014	2	109.1560	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCC)(H)	H(CCCH)	108.6387	0.050	3	108.6387	0.002	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.9600	0.328	3	108.9600	0.107	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.5875	0.285	26	108.5875	0.081	26	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCS)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCS)(H)	H(CCCH)	108.1673	0.036	3	108.1673	0.001	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	107.9747	0.223	6	107.9747	0.050	6	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	108.3803	0.985	10	108.3803	0.971	10	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CCH)(H)	H(CCCH)	108.4540	0.369	6	108.4540	0.136	6	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	108.9031	1.088	10	108.9031	1.185	10	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	108.4417	0.064	4	108.4417	0.004	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHN)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHN)(H)	H(CCCH)	108.9790	0.006	2	108.9790	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	108.1901	1.220	16	108.1901	1.489	16	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(COO)(H)	H(CCCH)	105.0010	1.616	4	105.0010	2.610	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(CCC)(H)	H(CCCH)	108.2890	0.166	6	108.2890	0.028	6	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[3]HO)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[3]HO)(CCHH)(CCC)(H)	H(CCCH)	108.4075	0.013	2	108.4075	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	H(CCCH)	108.7125	0.192	11	108.7125	0.037	11	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	H(CCCH)	108.9580	0.407	8	108.9580	0.166	8	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	H(CCCH)	108.7043	0.135	4	108.7043	0.018	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]ClH)(CCHH)(CCO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]ClH)(CCHH)(CCO)(H)	H(CCCH)	108.1120	1.922	2	108.1120	3.694	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	H(CCCH)	108.5540	0.017	2	108.5540	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(CCO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(CCO)(H)	H(CCCH)	108.2775	0.049	2	108.2775	0.002	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	H(CCCH)	107.6483	1.227	6	107.6483	1.506	6	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CCCH)	108.2507	0.021	3	108.2507	0.000	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	H(CCCH)	108.7694	0.174	10	108.7694	0.030	10	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CIrCH)(CCHH)(CCC)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CIrCH)(CCHH)(CCC)(H)	H(CCCH)	108.6970	0.027	4	108.6970	0.001	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(CCH)(H)	H(CCCH)	108.9797	0.074	4	108.9797	0.006	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	H(CCCH)	107.3490	0.042	2	107.3490	0.002	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHI)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	C(CCCH)(CCHI)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	107.9845	0.008	2	107.9845	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.5550	0.000	1	108.5550	0.000	1	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	107.7917	0.229	3	107.7917	0.052	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(COO)(H)	H(CCCH)	108.3330	0.000	1	108.3330	0.000	1	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	108.2800	0.000	1	108.2800	0.000	1	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCC)(H)	H(CCCH)	109.0665	0.018	2	109.0665	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCI)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCI)(H)	H(CCCH)	108.4492	0.140	8	108.4492	0.020	8	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCS)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCS)(H)	H(CCCH)	107.4845	0.348	10	107.4845	0.121	10	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	108.9230	0.363	4	108.9230	0.132	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	108.1571	0.146	9	108.1571	0.021	9	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CHH)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CHH)(H)	H(CCCH)	106.8790	0.325	2	106.8790	0.106	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCl3)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	C(CCCH)(CCl3)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	108.0290	0.023	2	108.0290	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCH)(H)	H(CCCH)	108.7927	0.111	4	108.7927	0.012	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(COO)(H)	H(CCCH)	108.9190	0.034	2	108.9190	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(COO)(H)	H(CCCH)	108.9275	0.022	2	108.9275	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CNO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CNO)(H)	H(CCCH)	109.1935	0.008	2	109.1935	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CNO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CNO)(H)	H(CCCH)	109.2745	0.019	2	109.2745	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.7314	0.157	8	108.7314	0.025	8	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.7692	0.171	5	108.7692	0.029	5	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	108.7610	0.018	2	108.7610	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	109.0839	0.431	34	109.0839	0.185	34	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CSS)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CSS)(H)	H(CCCH)	109.2060	0.008	2	109.2060	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CHHN)(CCN)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CHHN)(CCN)(H)	H(CCCH)	108.9640	0.014	2	108.9640	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	108.9889	1.000	7	108.9889	1.000	7	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHN)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CHN)(H)	H(CCCH)	109.1560	0.021	2	109.1560	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	108.7570	0.013	2	108.7570	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(COO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(COO)(H)	H(CCCH)	104.3965	0.008	2	104.3965	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CHO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CHO)(H)	H(CCCH)	108.8400	0.000	1	108.8400	0.000	1	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CNO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CNO)(H)	H(CCCH)	108.8075	0.050	2	108.8075	0.003	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.5960	0.157	3	108.5960	0.025	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCCH)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCCH)(CCHH)(CCH)(H)	H(CCCH)	108.7597	0.062	4	108.7597	0.004	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CNO)(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CNO)(H)	H(CCCH)	108.5840	0.055	2	108.5840	0.003	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.7385	0.037	4	108.7385	0.001	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.5755	0.069	4	108.5755	0.005	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CH3)(COO)(H)	H(CCCH)	108.8890	0.010	2	108.8890	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	109.8950	1.871	2	109.8950	3.501	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)2(CCO)(H)	H(CCCH)	108.3845	0.010	4	108.3845	0.000	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)2(CNO)(H)	H(CCCH)	108.2500	0.060	7	108.2500	0.004	7	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)2(COO)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)2(COO)(H)	H(CCCH)	107.4070	1.484	2	107.4070	2.201	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CCH)(H)	H(CCCH)	109.4485	1.138	2	109.4485	1.294	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CCCH)	C(CCCH)2(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	H(CCCH)	109.5185	0.026	2	109.5185	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[3,5]HH)(CCCH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CC[3,5]HH)(CCCH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	108.6320	0.000	1	108.6320	0.000	1	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[3,5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CC[3,5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CCCH)	108.7680	0.014	2	108.7680	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5,5]HH)(CCCH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CCCH)	C(CC[5,5]HH)(CCCH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CCCH)	108.3490	0.010	2	108.3490	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	108.4905	0.067	2	108.4905	0.005	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCH)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCH)(H)	H(CCCH)	108.4045	0.016	2	108.4045	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCO)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCO)(H)	H(CCCH)	107.9620	0.024	2	107.9620	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CCHH)(CH3)(CCO)(H)	H(CCCH)	107.9300	0.016	2	107.9300	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	108.8995	0.012	2	108.8995	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CC[5]HO)(CCHH)(CCC)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CC[5]HO)(CCHH)(CCC)(H)	H(CCCH)	108.7680	0.000	1	108.7680	0.000	1	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CCCH)	109.3095	0.030	2	109.3095	0.001	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(CCHH)2(CCC)(H)	H(CCCH)	108.4520	0.000	1	108.4520	0.000	1	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	H(CCCH)	108.2068	0.133	5	108.2068	0.018	5	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	H(CCCH)	108.3007	0.158	7	108.3007	0.025	7	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5a]HN)(CCCH)(H)2	C(CCHH)(CH3)(CCC)(H)	H(CCCH)	C(CC[5a]HN)(CCCH)(H)2	C(CCHH)(CH3)(CCC)(H)	H(CCCH)	108.2135	0.149	2	108.2135	0.022	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5a]HN)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CC[5a]HN)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.0435	0.004	2	108.0435	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.5830	0.177	7	108.5830	0.031	7	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6]HO)(CCCH)(H)2	C(CC[5,6]CH)(CCHH)(CCC)(H)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	C(CC[5,6]CH)(CCHH)(CCC)(H)	H(CCCH)	108.2375	0.013	2	108.2375	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]CC)(CCCH)(H)2	C(CCHH)(CH3)(CHO)(H)	H(CCCH)	C(CC[6a]CC)(CCCH)(H)2	C(CCHH)(CH3)(CHO)(H)	H(CCCH)	108.3515	0.018	2	108.3515	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]CC)(CCCH)(H)2	C(CMoCN)(CCHH)(CCN)(H)	H(CCCH)	C(CC[6a]CC)(CCCH)(H)2	C(CMoCN)(CCHH)(CCN)(H)	H(CCCH)	107.8105	0.140	4	107.8105	0.020	4	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CCCN)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CCCN)(CCHH)(CCH)(H)	H(CCCH)	108.6325	0.009	2	108.6325	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CH3)(CNO)(H)	H(CCCH)	104.9507	3.562	3	104.9507	12.689	3	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HO)(CCHH)(CCF)(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HO)(CCHH)(CCF)(H)	H(CCCH)	108.7755	0.016	2	108.7755	0.000	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HN)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	C(CC[6a]HN)(CCCH)(H)2	C(CCHH)(CH3)(CCH)(H)	H(CCCH)	108.4975	0.047	2	108.4975	0.002	2	108.4387	0.816	428	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-1:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(O)	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(O)	H(CCCH)	105.7845	0.299	2	105.7845	0.089	2	105.7845	0.089	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	H(CCCH)	107.6685	0.032	2	107.6685	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CC3)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CC3)(NCH)(H)	H(CCCH)	108.4770	0.115	4	108.4770	0.013	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(NCH)(H)	H(CCCH)	108.5300	0.031	2	108.5300	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	H(CCCH)	108.1140	0.000	1	108.1140	0.000	1	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	H(CCCH)	108.3508	0.177	4	108.3508	0.031	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NCH)(H)	H(CCCH)	108.3959	0.258	20	108.3959	0.066	20	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	H(CCCH)	106.5807	2.553	4	106.5807	6.520	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCCH)	108.4659	0.293	16	108.4659	0.086	16	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	107.9968	0.532	4	107.9968	0.283	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	109.3344	5.036	8	109.3344	25.357	8	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)2(NCO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)2(NCO)(H)	H(CCCH)	107.5980	0.105	2	107.5980	0.011	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NCH)(H)	H(CCCH)	108.5450	0.231	6	108.5450	0.053	6	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	H(CCCH)	108.3515	0.011	2	108.3515	0.000	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NHS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NHS)(H)	H(CCCH)	108.0135	0.059	2	108.0135	0.003	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CN[5]CH)(CCHH)(NCH)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CN[5]CH)(CCHH)(NCH)(H)	H(CCCH)	108.5625	0.119	4	108.5625	0.014	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NHS)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NHS)(H)	H(CCCH)	108.4670	0.031	2	108.4670	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	107.8477	0.289	4	107.8477	0.083	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	107.5300	1.402	28	107.5300	1.967	28	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NHN)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NHN)(H)	H(CCCH)	108.0985	0.120	4	108.0985	0.014	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCC)(H)	H(CCCH)	107.9735	1.257	4	107.9735	1.579	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	H(CCCH)	109.1491	1.138	36	109.1491	1.295	36	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	H(CCCH)	108.5945	0.091	2	108.5945	0.008	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	H(CCCH)	108.0255	0.018	2	108.0255	0.000	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NOO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NOO)(H)	H(CCCH)	108.3810	0.000	1	108.3810	0.000	1	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	H(CCCH)	107.9438	1.178	6	107.9438	1.388	6	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	H(CCCH)	109.0555	0.574	6	109.0555	0.329	6	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	108.2280	0.033	2	108.2280	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	108.8140	0.739	21	108.8140	0.546	21	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	109.2157	0.057	3	109.2157	0.003	3	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCC)(H)	H(CCCH)	108.7813	0.226	6	108.7813	0.051	6	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	108.5016	1.194	14	108.5016	1.425	14	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCO)(H)	H(CCCH)	107.8260	0.025	2	107.8260	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCuC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCuC)(H)	H(CCCH)	108.5921	0.253	10	108.5921	0.064	10	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NFeC)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NFeC)(H)	H(CCCH)	108.8582	0.310	4	108.8582	0.096	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHP)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHP)(H)	H(CCCH)	108.3970	0.860	4	108.3970	0.740	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	108.4214	0.135	8	108.4214	0.018	8	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[5]HH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[5]HH)(CCHH)(NCH)(H)	H(CCCH)	108.1910	0.013	2	108.1910	0.000	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NOO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NOO)(H)	H(CCCH)	108.8165	0.028	2	108.8165	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]CF)(CCHH)(NHS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]CF)(CCHH)(NHS)(H)	H(CCCH)	108.9277	0.262	3	108.9277	0.068	3	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CCCH)	107.6605	0.572	4	107.6605	0.328	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	H(CCCH)	108.7930	0.000	1	108.7930	0.000	1	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CCCH)	108.8472	0.365	30	108.8472	0.133	30	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CClCH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CClCH)(CCHH)(NCH)(H)	H(CCCH)	108.8358	0.216	5	108.8358	0.047	5	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	108.4815	0.045	2	108.4815	0.002	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	H(CCCH)	108.6737	0.243	4	108.6737	0.059	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHP)(H)2	C(CCHH)(CH3)(NCP)(H)	H(CCCH)	C(CCHN)(CCHP)(H)2	C(CCHH)(CH3)(NCP)(H)	H(CCCH)	108.7125	0.028	2	108.7125	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCCH)(CCHH)(NOO)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCCH)(CCHH)(NOO)(H)	H(CCCH)	108.6813	0.038	4	108.6813	0.001	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCFF)(CCHH)(NHS)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCFF)(CCHH)(NHS)(H)	H(CCCH)	108.8690	0.030	2	108.8690	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CCHN)(NCC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CCHN)(NCC)(H)	H(CCCH)	108.1735	0.842	2	108.1735	0.709	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CCHS)(NHS)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CCHS)(NHS)(H)	H(CCCH)	108.6700	0.177	7	108.6700	0.031	7	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	108.7171	0.149	11	108.7171	0.022	11	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCH)(H)	H(CCCH)	108.8990	0.024	4	108.8990	0.001	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHH)(H)	H(CCCH)	108.7375	1.211	16	108.7375	1.468	16	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHP)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHP)(H)	H(CCCH)	109.1450	0.779	4	109.1450	0.608	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCC)(H)	H(CCCH)	108.7180	0.239	6	108.7180	0.057	6	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCH)(H)	H(CCCH)	108.6693	0.285	19	108.6693	0.081	19	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHH)(H)	H(CCCH)	109.5850	0.049	2	109.5850	0.002	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHS)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHS)(H)	H(CCCH)	108.7840	0.011	2	108.7840	0.000	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NMnC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NMnC)(H)	H(CCCH)	108.8650	0.058	4	108.8650	0.003	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NSnC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NSnC)(H)	H(CCCH)	107.6625	2.013	2	107.6625	4.053	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)2(NCC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)2(NCC)(H)	H(CCCH)	108.8064	0.136	8	108.8064	0.018	8	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)2(NCuC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)2(NCuC)(H)	H(CCCH)	107.3803	1.952	4	107.3803	3.810	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)2(NZnC)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)2(NZnC)(H)	H(CCCH)	108.8567	0.051	7	108.8567	0.003	7	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CC[6a]CH)(CCHH)(NCH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CC[6a]CH)(CCHH)(NCH)(H)	H(CCCH)	109.0520	0.305	3	109.0520	0.093	3	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	H(CCCH)	108.6058	0.046	6	108.6058	0.002	6	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	109.2735	0.030	2	109.2735	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)2(NCuC)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)2(NCuC)(H)	H(CCCH)	107.7747	1.050	4	107.7747	1.103	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCFH)(CCHH)(NCC)(H)	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCFH)(CCHH)(NCC)(H)	H(CCCH)	109.1060	0.013	2	109.1060	0.000	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(CC3)(NHS)(H)	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(CC3)(NHS)(H)	H(CCCH)	108.6775	0.011	2	108.6775	0.000	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	108.5195	0.062	4	108.5195	0.004	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[5]HH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	H(CCCH)	C(CC[5]HH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	H(CCCH)	108.7895	0.378	2	108.7895	0.143	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6]HH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	C(CC[6]HH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	H(CCCH)	108.0520	0.566	4	108.0520	0.320	4	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6]HO)(CCHN)(H)2	C(CCHH)(CHOO)(NCC)(H)	H(CCCH)	C(CC[6]HO)(CCHN)(H)2	C(CCHH)(CHOO)(NCC)(H)	H(CCCH)	109.0795	0.023	2	109.0795	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]2C)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	C(CC[6a]2C)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	108.5250	0.047	2	108.5250	0.002	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]CH)(CCHN)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	C(CC[6a]CH)(CCHN)(H)2	C(CCHH)2(NHS)(H)	H(CCCH)	107.8445	0.078	2	107.8445	0.006	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCCN)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCCN)(CCHH)(NHS)(H)	H(CCCH)	109.3730	0.037	3	109.3730	0.001	3	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	H(CCCH)	108.6855	0.006	2	108.6855	0.000	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	H(CCCH)	108.7720	0.023	2	108.7720	0.001	2	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CSiCC)(CCHH)(NHP)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CSiCC)(CCHH)(NHP)(H)	H(CCCH)	109.1590	0.000	1	109.1590	0.000	1	108.5546	1.136	452	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(CH3)(H)2	C(CCHH)(CHHO)(OAl2)(H)	H(CCCH)	C(CCHO)(CH3)(H)2	C(CCHH)(CHHO)(OAl2)(H)	H(CCCH)	109.2990	0.025	3	109.2990	0.001	3	108.5780	0.349	36	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)(CHHN)(OCu2)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)(CHHN)(OCu2)(H)	H(CCCH)	108.0160	0.016	2	108.0160	0.000	2	108.5780	0.349	36	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)2(OCu2)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)2(OCu2)(H)	H(CCCH)	108.6663	0.387	7	108.6663	0.150	7	108.5780	0.349	36	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)2(OFe2)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)2(OFe2)(H)	H(CCCH)	107.9606	0.636	8	107.9606	0.404	8	108.5780	0.349	36	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(CHHN)(H)2	C(CCHH)2(OMn2)(H)	H(CCCH)	C(CCHO)(CHHN)(H)2	C(CCHH)2(OMn2)(H)	H(CCCH)	108.7831	0.409	16	108.7831	0.167	16	108.5780	0.349	36	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SAlC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SAlC)(H)	H(CCCH)	108.3660	0.596	8	108.3660	0.355	8	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(STiC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(STiC)(H)	H(CCCH)	108.1870	0.351	4	108.1870	0.123	4	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SZnC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SZnC)(H)	H(CCCH)	107.7115	0.005	2	107.7115	0.000	2	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)2(SCuC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)2(SCuC)(H)	H(CCCH)	108.3707	0.430	10	108.3707	0.185	10	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CCHH)2(SRhC)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CCHH)2(SRhC)(H)	H(CCCH)	109.3730	0.065	2	109.3730	0.004	2	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd2)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd2)(H)	H(CCCH)	109.0535	0.096	4	109.0535	0.009	4	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPdC)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPdC)(H)	H(CCCH)	108.3242	0.061	6	108.3242	0.004	6	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHS)(SFe2)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(CCHH)(CHHS)(SFe2)(H)	H(CCCH)	108.9550	0.046	3	108.9550	0.002	3	108.4763	0.265	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(CCCH)	108.5270	0.034	2	108.5270	0.001	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	108.2525	0.071	4	108.2525	0.005	4	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	108.4865	0.285	31	108.4865	0.081	31	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.1721	0.721	99	108.1721	0.520	99	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCFH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCFH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.6953	0.680	4	108.6953	0.462	4	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	H(CCCH)	108.3570	1.421	2	108.3570	2.020	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	108.8078	0.387	6	108.8078	0.150	6	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	108.5827	0.560	16	108.5827	0.313	16	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.6769	1.318	191	108.6769	1.736	191	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CCHP)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHN)(CCHP)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	107.5685	3.440	2	107.5685	11.834	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.7562	0.169	37	108.7562	0.029	37	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	H(CCCH)	108.7665	0.735	4	108.7665	0.540	4	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CHHO)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHN)(CHHO)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	107.0327	0.669	3	107.0327	0.448	3	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	109.5505	0.006	2	109.5505	0.000	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.6055	0.536	60	108.6055	0.287	60	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(CCCH)	109.5755	0.049	2	109.5755	0.002	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	H(CCCH)	109.2175	0.033	2	109.2175	0.001	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	H(CCCH)	108.6840	0.074	6	108.6840	0.005	6	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	108.7825	0.021	2	108.7825	0.000	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CS[5]HH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CS[5]HH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	110.8600	0.898	2	110.8600	0.806	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CSeHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	C(CSeHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	H(CCCH)	109.5260	0.880	2	109.5260	0.774	2	108.5592	0.989	479	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:N-3:H-1:	C-4:	C(CCCH)(CHNP)(H)2	C(CCHH)(PCOO)(NCH)(H)	H(CCCH)	C(CCCH)(CHNP)(H)2	C(CCHH)(PCOO)(NCH)(H)	H(CCCH)	108.7710	0.008	2	108.7710	0.000	2	109.0012	0.073	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CHNP)(H)2	C(CCHH)(PO3)(NCH)(H)	H(CCCH)	C(CC[6a]HH)(CHNP)(H)2	C(CCHH)(PO3)(NCH)(H)	H(CCCH)	109.2315	0.080	2	109.2315	0.006	2	109.0012	0.073	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:	C(CC[3]HN)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	H(CCCH)	C(CC[3]HN)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	H(CCCH)	108.2027	0.695	6	108.2027	0.483	6	108.2027	0.483	6	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:N-3:H-1:	C-4:	C(CC[5,6]HN)(CC[6a]HH)(H)2	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	H(CCCH)	C(CC[5,6]HN)(CC[6a]HH)(H)2	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	H(CCCH)	108.2292	0.172	4	108.2292	0.030	4	108.2292	0.030	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	H(CCCH)	108.6971	0.096	7	108.6971	0.009	7	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CCO)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CCO)(H)	H(CCCH)	108.7805	0.026	2	108.7805	0.001	2	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	H(CCCH)	108.8828	0.193	4	108.8828	0.037	4	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	H(CCCH)	108.9115	0.033	2	108.9115	0.001	2	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	H(CCCH)	108.8877	0.038	4	108.8877	0.001	4	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	H(CCCH)	108.8370	0.010	2	108.8370	0.000	2	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	H(CCCH)	109.0015	0.186	4	109.0015	0.035	4	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(COO)(H)	H(CCCH)	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(COO)(H)	H(CCCH)	108.5412	0.388	12	108.5412	0.150	12	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	H(CCCH)	108.6190	0.089	2	108.6190	0.008	2	108.7374	0.078	39	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	H(CCCH)	108.2514	0.281	24	108.2514	0.079	24	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	H(CCCH)	108.4565	0.005	2	108.4565	0.000	2	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	H(CCCH)	C(CC[5]HN)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	H(CCCH)	108.5615	0.035	2	108.5615	0.001	2	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	H(CCCH)	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	H(CCCH)	108.8075	0.089	4	108.8075	0.008	4	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	H(CCCH)	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	H(CCCH)	108.7390	0.018	3	108.7390	0.000	3	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	H(CCCH)	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	H(CCCH)	108.7765	0.011	2	108.7765	0.000	2	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(NOO)(H)	H(CCCH)	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(NOO)(H)	H(CCCH)	108.5140	0.044	2	108.5140	0.002	2	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	H(CCCH)	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	H(CCCH)	108.8870	0.007	2	108.8870	0.000	2	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CC[5]HN)(H)2	C(C[5]C[5]2C)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6a]HH)(CC[5]HN)(H)2	C(C[5]C[5]2C)(CCHH)(NCH)(H)	H(CCCH)	108.5780	0.250	2	108.5780	0.063	2	108.4425	0.102	43	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	H(CCCH)	108.6480	0.055	2	108.6480	0.003	2	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	H(CCCH)	108.4126	0.123	5	108.4126	0.015	5	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	H(CCCH)	108.7360	0.000	1	108.7360	0.000	1	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	H(CCCH)	108.9980	0.016	2	108.9980	0.000	2	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CNO)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CNO)(H)	H(CCCH)	109.0367	0.144	7	109.0367	0.021	7	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(COO)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(COO)(H)	H(CCCH)	109.0530	0.257	4	109.0530	0.066	4	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	H(CCCH)	108.6778	0.231	4	108.6778	0.053	4	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	H(CCCH)	108.5875	0.043	2	108.5875	0.002	2	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	H(CCCH)	109.0560	0.064	2	109.0560	0.004	2	108.8123	0.084	29	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6]HN)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	H(CCCH)	108.4965	0.050	2	108.4965	0.003	2	108.7875	0.101	13	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	H(CCCH)	C(CC[6]HN)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	H(CCCH)	109.0875	0.198	6	109.0875	0.039	6	108.7875	0.101	13	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6]HN)(CHHS)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6]HN)(CHHS)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	H(CCCH)	108.5305	0.058	4	108.5305	0.003	4	108.7875	0.101	13	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CC[6]HN)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	H(CCCH)	C(CC[6a]HH)(CC[6]HN)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	H(CCCH)	108.5980	0.000	1	108.5980	0.000	1	108.7875	0.101	13	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NCoCC)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NCoCC)(CCHH)(COO)(H)	H(CCCH)	108.8915	0.025	2	108.8915	0.001	2	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	108.4018	0.276	9	108.4018	0.076	9	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NNiCH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NNiCH)(CCHH)(COO)(H)	H(CCCH)	108.4665	0.277	6	108.4665	0.077	6	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NNiHH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NNiHH)(CCHH)(COO)(H)	H(CCCH)	108.5063	0.115	6	108.5063	0.013	6	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NPtHH)(CCHH)(COO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NPtHH)(CCHH)(COO)(H)	H(CCCH)	108.1550	0.290	12	108.1550	0.084	12	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	H(CCCH)	108.6277	0.068	4	108.6277	0.005	4	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NCuHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NCuHH)(CCHH)(COO)(H)	H(CCCH)	108.7734	0.794	24	108.7734	0.630	24	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	H(CCCH)	108.7925	0.023	2	108.7925	0.001	2	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NZnHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NZnHH)(CCHH)(COO)(H)	H(CCCH)	108.9015	0.169	4	108.9015	0.028	4	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	H(CCCH)	108.7985	0.006	2	108.7985	0.000	2	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NCuCH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NCuCH)(CCHH)(COO)(H)	H(CCCH)	108.1360	0.302	12	108.1360	0.091	12	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NCuHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NCuHH)(CCHH)(COO)(H)	H(CCCH)	108.8141	0.231	10	108.8141	0.053	10	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NNiCC)(CCHH)(CNO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NNiCC)(CCHH)(CNO)(H)	H(CCCH)	108.1977	0.549	4	108.1977	0.302	4	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NNiCH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NNiCH)(CCHH)(COO)(H)	H(CCCH)	108.3766	0.430	8	108.3766	0.185	8	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NNiHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NNiHH)(CCHH)(COO)(H)	H(CCCH)	109.0995	0.043	2	109.0995	0.002	2	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NPtHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NPtHH)(CCHH)(COO)(H)	H(CCCH)	109.1390	0.091	4	109.1390	0.008	4	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NReHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NReHH)(CCHH)(COO)(H)	H(CCCH)	107.0270	2.119	6	107.0270	4.489	6	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CHHS)(H)2	C(NRuHH)(CCHH)(COO)(H)	H(CCCH)	C(CCHN)(CHHS)(H)2	C(NRuHH)(CCHH)(COO)(H)	H(CCCH)	108.8220	0.184	4	108.8220	0.034	4	108.4854	0.553	121	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(PC[6]2Au)(CCHH)(CHH)(H)	H(CCCH)	C(CCHH)(CCHP)(H)2	C(PC[6]2Au)(CCHH)(CHH)(H)	H(CCCH)	108.6275	0.090	2	108.6275	0.008	2	108.6275	0.008	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CHNP)(H)2	C(PC[6]OO)(CCHH)(NHS)(H)	H(CCCH)	C(CCCH)(CHNP)(H)2	C(PC[6]OO)(CCHH)(NHS)(H)	H(CCCH)	108.7175	0.009	2	108.7175	0.000	2	108.7175	0.000	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCN)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCN)(H)	H(CCCH)	108.7527	0.341	4	108.7527	0.116	4	109.2049	0.172	11	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(SN[6]OO)(CCHH)(CCH)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(SN[6]OO)(CCHH)(CCH)(H)	H(CCCH)	109.5060	0.000	1	109.5060	0.000	1	109.2049	0.172	11	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	H(CCCH)	109.3540	0.018	2	109.3540	0.000	2	109.2049	0.172	11	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:	C(CCHS)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(CNO)(H)	H(CCCH)	C(CCHS)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(CNO)(H)	H(CCCH)	109.6125	0.083	2	109.6125	0.007	2	109.2049	0.172	11	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	H(CCCH)	C(CC[6a]HH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	H(CCCH)	109.4020	0.041	2	109.4020	0.002	2	109.2049	0.172	11	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	Si-4:C-4:N-3:H-1:	C-4:	C(CSiHN)(CCHH)(H)2	C(SiCCO)(CCHH)(NCH)(H)	H(CCCH)	C(CSiHN)(CCHH)(H)2	C(SiCCO)(CCHH)(NCH)(H)	H(CCCH)	108.6795	0.222	4	108.6795	0.049	4	108.6795	0.049	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:O-1:	C-4:C-4:C-3:H-1:	C-4:	C(CN[5]HH)(CCCH)(H)(O)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CN[5]HH)(CCCH)(H)(O)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	107.2925	0.682	2	107.2925	0.466	2	107.2925	0.466	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NCHH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	C(CCCH)(NCHH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	108.8847	0.022	3	108.8847	0.000	3	109.9630	2.474	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)(COO)(H)	H(CCHN)	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)(COO)(H)	H(CCHN)	111.5805	1.084	2	111.5805	1.175	2	109.9630	2.474	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NC3)(H)2	C(CCCH)(CHHN)(NCH)(H)	H(CCHN)	C(CCHN)(NC3)(H)2	C(CCCH)(CHHN)(NCH)(H)	H(CCHN)	108.3680	0.092	2	108.3680	0.008	2	109.2189	0.661	28	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCCH)(H)2	C(CCCH)(CHHN)(NCC)(H)	H(CCHN)	C(CCHN)(NCCH)(H)2	C(CCCH)(CHHN)(NCC)(H)	H(CCHN)	109.5090	0.027	2	109.5090	0.001	2	109.2189	0.661	28	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCH)(H)	H(CCHN)	109.1274	0.666	16	109.1274	0.444	16	109.2189	0.661	28	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCS)(H)	H(CCHN)	C(CCHN)(NCHH)(H)2	C(CHHN)(CH3)(NCS)(H)	H(CCHN)	108.5380	0.017	2	108.5380	0.000	2	109.2189	0.661	28	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NCHH)(H)2	C(CHHN)(CHHO)(NCH)(H)	H(CCHN)	C(CCHN)(NCHH)(H)2	C(CHHN)(CHHO)(NCH)(H)	H(CCHN)	111.0380	1.324	2	111.0380	1.752	2	109.2189	0.661	28	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NHH)(H)	H(CCHN)	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NHH)(H)	H(CCHN)	109.2957	0.190	4	109.2957	0.036	4	109.2189	0.661	28	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:O-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(ONi3)(H)2	C(CCCH)(CHHO)(NNiC)(H)	H(CCHO)	C(CCHN)(ONi3)(H)2	C(CCCH)(CHHO)(NNiC)(H)	H(CCHO)	109.4164	0.043	7	109.4164	0.002	7	109.4164	0.002	7	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(PO3)(H)2	C(CHHP)(CF3)(NHS)(H)	H(CCHP)	C(CCHN)(PO3)(H)2	C(CHHP)(CF3)(NHS)(H)	H(CCHP)	108.5680	0.044	2	108.5680	0.002	2	108.5680	0.002	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:P-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(PHOO)(H)2	C(CHHP)(NH3)(COO)(H)	H(CCHP)	C(CCHN)(PHOO)(H)2	C(CHHP)(NH3)(COO)(H)	H(CCHP)	108.9175	2.758	2	108.9175	7.609	2	108.9175	7.609	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:S-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(SO3)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	C(CCHN)(SO3)(H)2	C(CHHS)(NH3)(COO)(H)	H(CCHS)	108.0122	0.088	10	108.0122	0.008	10	108.0122	0.008	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CC[3,5]HH)(CCHH)(CCC)(H)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CC[3,5]HH)(CCHH)(CCC)(H)	H(CC[3,5]CH)	108.1070	0.059	6	108.1070	0.004	6	108.1070	0.004	6	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(H)2	C(CC[3]HH)(CCHH)(CCC)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCCH)(H)2	C(CC[3]HH)(CCHH)(CCC)(H)	H(CC[3]CH)	109.5500	0.010	2	109.5500	0.000	2	109.5500	0.000	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	C(CC[3x6]HH)(CH3)(COO)(H)	H(CC[3x6]CH)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	C(CC[3x6]HH)(CH3)(COO)(H)	H(CC[3x6]CH)	108.0090	0.000	1	108.0090	0.000	1	108.0090	0.000	1	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	C(CC[5,6,6]HH)(CH3)(COO)(H)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	C(CC[5,6,6]HH)(CH3)(COO)(H)	H(CC[5,6,6]CH)	107.3120	0.007	2	107.3120	0.000	2	107.3120	0.000	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCH)(H)	H(CC[5]CH)	108.1070	0.049	2	108.1070	0.002	2	108.7178	0.257	27	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	H(CC[5]CH)	108.7631	0.272	8	108.7631	0.074	8	108.7178	0.257	27	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2Ti)(CCCH)(H)2	C(CC[5]HH)(CC3)(CCH)(H)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCCH)(H)2	C(CC[5]HH)(CC3)(CCH)(H)	H(CC[5]CH)	109.0214	0.636	7	109.0214	0.404	7	108.7178	0.257	27	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCC)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCC)(H)	H(CC[5]CH)	108.8102	0.127	6	108.8102	0.016	6	108.7178	0.257	27	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCO)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCO)(H)	H(CC[5]CH)	108.8495	0.006	2	108.8495	0.000	2	108.7178	0.257	27	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCH)(H)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C(CC[5]HH)(CH3)(CCH)(H)	H(CC[5]CH)	107.6760	0.027	2	107.6760	0.001	2	108.7178	0.257	27	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CC[5]CH)	108.3278	0.194	4	108.3278	0.038	4	108.5331	0.377	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	H(CC[5]CH)	108.6595	0.012	2	108.6595	0.000	2	108.5331	0.377	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5]2Ti)(CCHN)(H)2	C(CC[5]HH)(CCCH)(NTiS)(H)	H(CC[5]CH)	C(C[5]C[5]2Ti)(CCHN)(H)2	C(CC[5]HH)(CCCH)(NTiS)(H)	H(CC[5]CH)	109.5405	0.026	2	109.5405	0.001	2	108.5331	0.377	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHN)(H)2	C(CC[5]HH)(CCHH)(NCH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHN)(H)2	C(CC[5]HH)(CCHH)(NCH)(H)	H(CC[5]CH)	107.8100	0.014	2	107.8100	0.000	2	108.5331	0.377	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHN)(H)2	C(CC[5]HH)(NH3)(COO)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHN)(H)2	C(CC[5]HH)(NH3)(COO)(H)	H(CC[5]CH)	109.9600	0.310	2	109.9600	0.096	2	109.9600	0.096	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C(CC[6,6]HH)(CCHH)(CCC)(H)	H(CC[6,6]CH)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C(CC[6,6]HH)(CCHH)(CCC)(H)	H(CC[6,6]CH)	108.1800	0.010	2	108.1800	0.000	2	108.1800	0.000	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2C)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	H(CC[6]CH)	107.7235	0.016	2	107.7235	0.000	2	108.4670	1.851	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CHH)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CHH)(H)	H(CC[6]CH)	109.2105	1.828	2	109.2105	3.341	2	108.4670	1.851	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2C)(CCHN)(H)2	C(CC[6]HH)(CH3)(NOO)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CCHN)(H)2	C(CC[6]HH)(CH3)(NOO)(H)	H(CC[6]CH)	107.5125	0.120	4	107.5125	0.014	4	107.9104	0.306	8	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2H)(CCHN)(H)2	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CCHN)(H)2	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	H(CC[6]CH)	108.7640	0.006	2	108.7640	0.000	2	107.9104	0.306	8	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	H(CC[6]CH)	107.8525	0.025	2	107.8525	0.001	2	107.9104	0.306	8	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(C[6]C[6]2Ru)(CCHN)(H)2	C(CC[6]HH)(NRuHH)(COO)(H)	H(CC[6]CH)	C(C[6]C[6]2Ru)(CCHN)(H)2	C(CC[6]HH)(NRuHH)(COO)(H)	H(CC[6]CH)	110.0597	0.022	3	110.0597	0.000	3	110.0597	0.000	3	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NCuCH)(CCCH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	C(NCuCH)(CCCH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	109.0832	0.073	4	109.0832	0.005	4	109.2921	0.027	12	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(NNiCH)(CCCH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	C(NNiCH)(CCCH)(H)2	C(CHHN)2(COO)(H)	H(CCHN)	109.3965	0.051	8	109.3965	0.003	8	109.2921	0.027	12	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(NPtHH)(CCHN)(H)2	C(CHHN)2(NCH)(H)	H(CCHN)	C(NPtHH)(CCHN)(H)2	C(CHHN)2(NCH)(H)	H(CCHN)	108.8565	0.259	4	108.8565	0.067	4	108.8565	0.067	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NCuCC)(CCHO)(H)2	C(CCHH)(CHHN)(OCu2)(H)	H(CCHN)	C(NCuCC)(CCHO)(H)2	C(CCHH)(CHHN)(OCu2)(H)	H(CCHN)	109.4710	0.044	2	109.4710	0.002	2	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NFeCC)(CCHO)(H)2	C(CClHH)(CHHN)(OFeH)(H)	H(CCHN)	C(NFeCC)(CCHO)(H)2	C(CClHH)(CHHN)(OFeH)(H)	H(CCHN)	109.3665	0.298	4	109.3665	0.089	4	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NFeCC)(CCHO)(H)2	C(CHHN)2(OFe2)(H)	H(CCHN)	C(NFeCC)(CCHO)(H)2	C(CHHN)2(OFe2)(H)	H(CCHN)	109.6068	0.420	47	109.6068	0.176	47	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NFeCH)(CCHO)(H)2	C(CHHN)2(OFe2)(H)	H(CCHN)	C(NFeCH)(CCHO)(H)2	C(CHHN)2(OFe2)(H)	H(CCHN)	109.9853	0.150	4	109.9853	0.023	4	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NMnCC)(CCHO)(H)2	C(CHHN)2(OMn2)(H)	H(CCHN)	C(NMnCC)(CCHO)(H)2	C(CHHN)2(OMn2)(H)	H(CCHN)	109.2682	0.746	8	109.2682	0.557	8	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NNiCC)(CCHO)(H)2	C(CClHH)(CHHN)(ONiH)(H)	H(CCHN)	C(NNiCC)(CCHO)(H)2	C(CClHH)(CHHN)(ONiH)(H)	H(CCHN)	108.9915	0.106	4	108.9915	0.011	4	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NNiCC)(CCHO)(H)2	C(CHHN)2(ONi2)(H)	H(CCHN)	C(NNiCC)(CCHO)(H)2	C(CHHN)2(ONi2)(H)	H(CCHN)	109.3488	0.481	39	109.3488	0.231	39	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NZnCC)(CCHO)(H)2	C(CHHN)2(OZn2)(H)	H(CCHN)	C(NZnCC)(CCHO)(H)2	C(CHHN)2(OZn2)(H)	H(CCHN)	109.3286	1.225	21	109.3286	1.502	21	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(NZnCH)(CCHO)(H)2	C(CHHN)2(OZn2)(H)	H(CCHN)	C(NZnCH)(CCHO)(H)2	C(CHHN)2(OZn2)(H)	H(CCHN)	110.1795	0.033	2	110.1795	0.001	2	109.4568	0.434	131	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(N[5]C[5]2C)(CCHN)(H)2	C(CN[5]HH)(CC3)(NCH)(H)	H(CN[5]CH)	C(N[5]C[5]2C)(CCHN)(H)2	C(CN[5]HH)(CC3)(NCH)(H)	H(CN[5]CH)	108.1070	0.024	2	108.1070	0.001	2	108.1070	0.001	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(PC[6a]2O)(CCCH)(H)2	C(CC[6a]2N)(CHHP)(COO)(H)	H(CCHP)	C(PC[6a]2O)(CCCH)(H)2	C(CC[6a]2N)(CHHP)(COO)(H)	H(CCHP)	108.5840	0.020	2	108.5840	0.000	2	108.3037	0.105	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)(COO)(H)	H(CCHP)	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)(COO)(H)	H(CCHP)	108.0235	0.030	2	108.0235	0.001	2	108.3037	0.105	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(PC[6]BC)(CCHN)(H)2	C(CHHP)(CC3)(NHS)(H)	H(CCHP)	C(PC[6]BC)(CCHN)(H)2	C(CHHP)(CC3)(NHS)(H)	H(CCHP)	107.1863	0.519	4	107.1863	0.269	4	108.8648	1.670	18	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(PC[6a]2B)(CCHN)(H)2	C(CHHP)(CC3)(NCH)(H)	H(CCHP)	C(PC[6a]2B)(CCHN)(H)2	C(CHHP)(CC3)(NCH)(H)	H(CCHP)	109.0020	0.011	2	109.0020	0.000	2	108.8648	1.670	18	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(PC[6a]2Fe)(CCHN)(H)2	C(CCCH)(CHHP)(NFeC)(H)	H(CCHP)	C(PC[6a]2Fe)(CCHN)(H)2	C(CCCH)(CHHP)(NFeC)(H)	H(CCHP)	109.0828	0.048	4	109.0828	0.002	4	108.8648	1.670	18	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(PC[6a]2Ru)(CCHN)(H)2	C(CC[6a]HH)(CHHP)(NCC)(H)	H(CCHP)	C(PC[6a]2Ru)(CCHN)(H)2	C(CC[6a]HH)(CHHP)(NCC)(H)	H(CCHP)	107.4250	0.042	2	107.4250	0.002	2	108.8648	1.670	18	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(POsCC)(CCHN)(H)2	C(COsCH)(CHHP)(NCC)(H)	H(CCHP)	C(POsCC)(CCHN)(H)2	C(COsCH)(CHHP)(NCC)(H)	H(CCHP)	110.2727	0.095	6	110.2727	0.009	6	108.8648	1.670	18	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHH)(CHHP)(SPd2)(H)	H(CCHP)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHH)(CHHP)(SPd2)(H)	H(CCHP)	109.8162	0.120	4	109.8162	0.014	4	109.6262	0.164	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHH)(CHHP)(SPdC)(H)	H(CCHP)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHH)(CHHP)(SPdC)(H)	H(CCHP)	109.4995	0.488	6	109.4995	0.238	6	109.6262	0.164	10	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(PC[6a]2Fe)(CCHP)(H)2	C(PC[6a]2Fe)(CHHP)(CFeC)(H)	H(CCHP)	C(PC[6a]2Fe)(CCHP)(H)2	C(PC[6a]2Fe)(CHHP)(CFeC)(H)	H(CCHP)	111.3175	0.011	2	111.3175	0.000	2	111.3175	0.000	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SC[6a]OO)(CCCH)(H)2	C(CCHN)(CHHS)(CCH)(H)	H(CCHS)	C(SC[6a]OO)(CCCH)(H)2	C(CCHN)(CHHS)(CCH)(H)	H(CCHS)	109.0280	0.030	2	109.0280	0.001	2	108.9954	0.003	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SC[6a]OO)(CCCH)(H)2	C(CC[3]HO)(CHHS)(CCC)(H)	H(CCHS)	C(SC[6a]OO)(CCCH)(H)2	C(CC[3]HO)(CHHS)(CCC)(H)	H(CCHS)	108.9737	0.058	3	108.9737	0.003	3	108.9954	0.003	5	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(SiC[6a]CC)(CCCH)(H)2	C(CSiHH)(CCCO)(CCH)(H)	H(CSiCH)	C(SiC[6a]CC)(CCCH)(H)2	C(CSiHH)(CCCO)(CCH)(H)	H(CSiCH)	107.7490	0.007	2	107.7490	0.000	2	107.7490	0.000	2	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NHS)(H)	H(CSiCH)	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NHS)(H)	H(CSiCH)	107.0045	0.067	2	107.0045	0.005	2	106.7228	0.110	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(SiC[6a]2C)(CCHN)(H)2	C(CSiHH)(CCCH)(NHS)(H)	H(CSiCH)	C(SiC[6a]2C)(CCHN)(H)2	C(CSiHH)(CCCH)(NHS)(H)	H(CSiCH)	106.4410	0.085	2	106.4410	0.007	2	106.7228	0.110	4	108.6131	0.890	2058	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHO)(COO)(OH)	H(CBrCC)	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHO)(COO)(OH)	H(CBrCC)	108.4120	0.000	1	108.4120	0.000	1	108.4205	0.000	2	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[6a]HH)(CCCO)(Br)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	H(CBrCC)	C(CC[6a]HH)(CCCO)(Br)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	H(CBrCC)	108.4290	0.000	1	108.4290	0.000	1	108.4205	0.000	2	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:Br-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[6a]HH)(CC[5]CO)(Br)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	H(CBrCC)	C(CC[6a]HH)(CC[5]CO)(Br)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	H(CBrCC)	108.3270	0.000	1	108.3270	0.000	1	108.3270	0.000	1	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)(Cl)(H)	C(CClCH)(CH3)(COO)(OH)	H(CClCC)	C(CCCO)(CH3)(Cl)(H)	C(CClCH)(CH3)(COO)(OH)	H(CClCC)	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(CCH)(CN)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(CCH)(CN)	H(CCCH)	107.6135	1.016	4	107.6135	1.032	4	107.6135	1.032	4	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)(CF3)(CNO)(OC)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)(CF3)(CNO)(OC)	H(CCCH)	108.1075	0.059	2	108.1075	0.003	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	107.9690	0.225	3	107.9690	0.051	3	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(OH)	H(CCCH)	104.9460	3.306	2	104.9460	10.932	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	108.2670	0.177	3	108.2670	0.031	3	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)2(CCC)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)2(CCC)(OH)	H(CCCH)	108.6050	0.007	2	108.6050	0.000	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(OH)	H(CCCH)	108.6942	0.208	4	108.6942	0.043	4	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	C(CCCO)(CCHO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	108.7845	0.050	2	108.7845	0.003	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)(H)2	C(CCHH)2(CCC)(OH)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CCHH)2(CCC)(OH)	H(CCCH)	108.5125	0.078	2	108.5125	0.006	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)(H)2	C(CC[6a]CO)(CCHH)(CCH)(OC)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CC[6a]CO)(CCHH)(CCH)(OC)	H(CCCH)	108.4490	0.000	1	108.4490	0.000	1	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)(H)2	C(CC[6a]HO)(CCHH)(CCH)(OH)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CC[6a]HO)(CCHH)(CCH)(OH)	H(CCCH)	108.5873	0.023	3	108.5873	0.001	3	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[3]HH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	108.4120	0.000	1	108.4120	0.000	1	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[5]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CCH)(OH)	H(CCCH)	C(CC[5]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CCH)(OH)	H(CCCH)	108.0270	0.013	2	108.0270	0.000	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(CCCH)(CCHH)(COO)(OH)	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(CCCH)(CCHH)(COO)(OH)	H(CCCH)	108.5050	0.068	2	108.5050	0.005	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	H(CCCH)	108.2373	0.095	3	108.2373	0.009	3	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[6a]CH)(CCCO)(H)2	C(CCCH)(CCHH)(COO)(OH)	H(CCCH)	C(CC[6a]CH)(CCCO)(H)2	C(CCCH)(CCHH)(COO)(OH)	H(CCCH)	107.6720	0.034	2	107.6720	0.001	2	108.1511	1.094	34	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:	C(CCCS)(CF3)(H)2	C(CCHH)(CH3)(CNO)(SC)	H(CCCH)	C(CCCS)(CF3)(H)2	C(CCHH)(CH3)(CNO)(SC)	H(CCCH)	107.8470	0.013	2	107.8470	0.000	2	107.8470	0.000	2	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCH)(CCCN)(H)2	C(CCHH)(CH3)(NCH)(CN)	H(CCCH)	C(CCCH)(CCCN)(H)2	C(CCHH)(CH3)(NCH)(CN)	H(CCCH)	107.5550	0.008	2	107.5550	0.000	2	108.0880	0.242	5	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(NCH)(CC)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(NCH)(CC)	H(CCCH)	108.5610	0.000	1	108.5610	0.000	1	108.0880	0.242	5	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)(NCH)(CN)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)(NCH)(CN)	H(CCCH)	108.3845	0.021	2	108.3845	0.000	2	108.0880	0.242	5	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:C-3:O-2:	C-4:	C(CN[5a]HH)(CSiCO)(H)2	C(CCHH)(SiC3)(CHO)(OH)	H(CCCH)	C(CN[5a]HH)(CSiCO)(H)2	C(CCHH)(SiC3)(CHO)(OH)	H(CCCH)	107.5280	0.068	2	107.5280	0.005	2	107.5280	0.005	2	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	H(CCCH)	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	H(CCCH)	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:N-4:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:	C(CC[5]CO)(NCCH)(H)2	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	H(CCHN)	C(CC[5]CO)(NCCH)(H)2	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	H(CCHN)	108.1863	0.791	4	108.1863	0.626	4	108.1863	0.626	4	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NC)	H(CSiCH)	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NC)	H(CSiCH)	106.6800	0.061	2	106.6800	0.004	2	106.6800	0.004	2	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[5]C[5]N[5]H)(CCCO)(H)2	C(CC[5]HH)(CCCH)(COO)(OH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCO)(H)2	C(CC[5]HH)(CCCH)(COO)(OH)	H(CC[5]CH)	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(C[6]C[6,6a]2H)(CCCN)(H)2	C(CC[6]HH)2(NHH)(CN)	H(CC[6]CH)	C(C[6]C[6,6a]2H)(CCCN)(H)2	C(CC[6]HH)2(NHH)(CN)	H(CC[6]CH)	108.1807	0.042	3	108.1807	0.002	3	108.1807	0.002	3	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(NCoCC)(CCCO)(H)2	C(CHHN)(CH3)(CNO)(OC)	H(CCHN)	C(NCoCC)(CCCO)(H)2	C(CHHN)(CH3)(CNO)(OC)	H(CCHN)	107.8063	0.343	8	107.8063	0.118	8	107.8063	0.118	8	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:2:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(SC[6a]OO)(CCCO)(H)2	C(CHHS)(CH3)(CNO)(OH)	H(CCHS)	C(SC[6a]OO)(CCCO)(H)2	C(CHHS)(CH3)(CNO)(OH)	H(CCHS)	108.2478	1.187	9	108.2478	1.410	9	108.2478	1.410	9	108.0672	0.797	79	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CCO)2	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CCO)2	H(CCCH)	108.4015	0.006	2	108.4015	0.000	2	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CNO)2	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CNO)2	H(CCCH)	108.7850	0.120	4	108.7850	0.014	4	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(COO)2	H(CCCH)	108.7223	0.090	4	108.7223	0.008	4	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CCO)(COO)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CCO)(COO)	H(CCCH)	108.4125	0.071	2	108.4125	0.005	2	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CNO)(COO)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CNO)(COO)	H(CCCH)	107.0275	0.330	2	107.0275	0.109	2	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHS)(CCH)(COO)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CHHS)(CCH)(COO)	H(CCCH)	108.2685	0.025	2	108.2685	0.001	2	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(CCO)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(CCO)2	H(CCCH)	108.6534	0.105	7	108.6534	0.011	7	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	108.6235	0.554	19	108.6235	0.307	19	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(COO)2	H(CCCH)	108.0593	0.387	3	108.0593	0.150	3	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]HN)(CCHH)(COO)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]HN)(CCHH)(COO)2	H(CCCH)	108.6382	0.108	4	108.6382	0.012	4	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHN)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CCHN)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	108.5250	0.030	2	108.5250	0.001	2	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CCHO)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CCHO)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	108.2190	0.000	1	108.2190	0.000	1	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	107.3625	0.022	2	107.3625	0.000	2	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CC[6a]HN)(CC3)(H)2	C(CC[6a]HO)(CCHH)(COO)2	H(CCCH)	C(CC[6a]HN)(CC3)(H)2	C(CC[6a]HO)(CCHH)(COO)2	H(CCCH)	108.2225	0.015	2	108.2225	0.000	2	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(CPtCH)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	C(CPtCH)(CC3)(H)2	C(CCHH)2(COO)2	H(CCCH)	108.4610	0.190	4	108.4610	0.036	4	108.4614	0.255	60	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(COO)(NCH)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(COO)(NCH)	H(CCCH)	108.1290	0.016	2	108.1290	0.000	2	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)2(CCH)(NHS)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)2(CCH)(NHS)	H(CCCH)	108.1635	0.062	2	108.1635	0.004	2	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)2(COO)(NCH)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)2(COO)(NCH)	H(CCCH)	108.5286	0.120	8	108.5286	0.014	8	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NHS)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NHS)	H(CCCH)	108.5987	0.312	4	108.5987	0.097	4	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)2(CNO)(NCH)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)2(CNO)(NCH)	H(CCCH)	108.6475	0.163	15	108.6475	0.027	15	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)2(COO)(NCH)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)2(COO)(NCH)	H(CCCH)	108.7712	0.087	4	108.7712	0.008	4	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)2(CPtC)(NCH)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)2(CPtC)(NCH)	H(CCCH)	108.7291	0.229	7	108.7291	0.052	7	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CC[6]HH)(CCHH)(COO)(NCH)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CC[6]HH)(CCHH)(COO)(NCH)	H(CCCH)	108.8708	0.096	4	108.8708	0.009	4	108.6216	0.056	46	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:C-3:	C-4:	C(CCCO)(COOU)(H)2	C(CCHH)2(OAlU)(COO)	H(CCCH)	C(CCCO)(COOU)(H)2	C(CCHH)2(OAlU)(COO)	H(CCCH)	108.9000	0.071	2	108.9000	0.005	2	108.9000	0.005	2	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:C-3:	C-4:	C(CC[6a]CH)(CC[5]CC)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(CCCH)	C(CC[6a]CH)(CC[5]CC)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(CCCH)	108.7085	0.035	2	108.7085	0.001	2	108.3970	0.292	3	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:C-3:	C-4:	C(CC[6a]C[5]H)(CC[5]CC)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(CCCH)	C(CC[6a]C[5]H)(CC[5]CC)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	H(CCCH)	107.7740	0.000	1	107.7740	0.000	1	108.3970	0.292	3	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:C-3:	C-4:	C(CC[6a]CH)(CC[6]CC)(H)2	C(C[6]C[6]2H)(CCHH)(COO)2	H(CCCH)	C(CC[6a]CH)(CC[6]CC)(H)2	C(C[6]C[6]2H)(CCHH)(COO)2	H(CCCH)	107.4437	0.143	3	107.4437	0.020	3	107.4437	0.020	3	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NCH)	H(CSiCH)	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(COO)(NCH)	H(CSiCH)	106.8323	0.369	16	106.8323	0.136	16	106.8323	0.136	16	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)2(COO)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)2(COO)2	H(CC[5]CH)	108.5101	0.087	7	108.5101	0.008	7	108.4408	0.022	11	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C(CC[6a]HN)(CC[5]HH)(COO)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[6a]HN)(CC[5]HH)(COO)2	H(CC[5]CH)	108.1785	0.005	2	108.1785	0.000	2	108.4408	0.022	11	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CCO)(COO)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CCO)(COO)	H(CC[5]CH)	108.4605	0.018	2	108.4605	0.000	2	108.4408	0.022	11	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(C[6]C[6]O[6]H)(CC3)(H)2	C(CC[6]HH)(CCHH)(COO)2	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CC3)(H)2	C(CC[6]HH)(CCHH)(COO)2	H(CC[6]CH)	108.0920	0.028	2	108.0920	0.001	2	108.0920	0.001	2	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6]C[6]2H)(CCCN)(H)2	C(CC[6]HH)(CCHH)(COO)(NCH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCCN)(H)2	C(CC[6]HH)(CCHH)(COO)(NCH)	H(CC[6]CH)	107.6590	0.078	4	107.6590	0.006	4	107.8312	0.080	8	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(C[6]C[6]2H)(CCCN)(H)2	C(CC[6]HH)(CHHO)(COO)(NCH)	H(CC[6]CH)	C(C[6]C[6]2H)(CCCN)(H)2	C(CC[6]HH)(CHHO)(COO)(NCH)	H(CC[6]CH)	108.0035	0.320	4	108.0035	0.103	4	107.8312	0.080	8	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:3:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:	C(SiC3)(CC3)(H)2	C(CSiHH)(CH3)(COO)2	H(CSiCH)	C(SiC3)(CC3)(H)2	C(CSiHH)(CH3)(COO)2	H(CSiCH)	106.9221	0.133	8	106.9221	0.018	8	106.9221	0.018	8	108.2137	0.513	159	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:3:4:	4:	C-4:O-4:H-1:H-1:	C-4:C-4:N-3:C-4:	C-4:	C(CCCN)(ONi3)(H)2	C(CHHO)2(NNiC)(CH3)	H(CCHO)	C(CCCN)(ONi3)(H)2	C(CHHO)2(NNiC)(CH3)	H(CCHO)	109.3562	0.151	5	109.3562	0.023	5	109.3562	0.023	5	109.3562	0.023	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(BC[6a]3)(CCHP)(H)2	C(CBHH)(CH3)(PC3)(H)	H(CBCH)	C(BC[6a]3)(CCHP)(H)2	C(CBHH)(CH3)(PC3)(H)	H(CBCH)	106.9450	0.006	2	106.9450	0.000	2	106.9450	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	B-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(BC[6a]HP)(CCHP)(H)2	C(PC[6a]2B)(CBHH)(CH3)(H)	H(CBCH)	C(BC[6a]HP)(CCHP)(H)2	C(PC[6a]2B)(CBHH)(CH3)(H)	H(CBCH)	109.4560	0.102	2	109.4560	0.010	2	109.4560	0.010	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	B[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(B[4]P[4]2O)(CCCH)(H)2	C(CB[4]HH)(CH3)2(H)	H(CB[4]CH)	C(B[4]P[4]2O)(CCCH)(H)2	C(CB[4]HH)(CH3)2(H)	H(CB[4]CH)	106.9990	0.013	2	106.9990	0.000	2	106.9990	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CCHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	H(CBrCC)	C(CClCC)(CCHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	H(CBrCC)	108.1060	0.479	2	108.1060	0.230	2	108.2550	0.182	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CClHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	H(CBrCC)	C(CClCC)(CClHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	H(CBrCC)	108.5530	0.000	1	108.5530	0.000	1	108.2550	0.182	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:Br-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CBrHH)(Br)(H)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	H(CBrCC)	C(CC[5]CH)(CBrHH)(Br)(H)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	H(CBrCC)	106.1190	0.000	1	106.1190	0.000	1	106.1190	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(CH3)(Br)	H(CClCC)	C(CBrCC)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(CH3)(Br)	H(CClCC)	108.0460	0.000	1	108.0460	0.000	1	107.3060	1.095	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(CH3)(Br)	H(CClCC)	C(CBrCC)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(CH3)(Br)	H(CClCC)	106.5660	0.000	1	106.5660	0.000	1	107.3060	1.095	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CH3)2(H)	H(CClCC)	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CH3)2(H)	H(CClCC)	107.7070	0.414	2	107.7070	0.172	2	107.7070	0.172	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(CCHH)(H)2	C(CClCH)(CCHH)(CH3)(Br)	H(CCCH)	C(CBrCC)(CCHH)(H)2	C(CClCH)(CCHH)(CH3)(Br)	H(CCCH)	108.0320	0.028	2	108.0320	0.001	2	108.1623	0.044	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(CCHO)(H)2	C(CCHH)(CH3)2(Br)	H(CCCH)	C(CBrCC)(CCHO)(H)2	C(CCHH)(CH3)2(Br)	H(CCCH)	108.2275	0.237	4	108.2275	0.056	4	108.1623	0.044	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CC[6a]HH)(CClCC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCCH)	C(CC[6a]HH)(CClCC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCCH)	108.5705	0.077	4	108.5705	0.006	4	108.0443	0.802	17	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CCHH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCCH)	C(CClCC)(CCHH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	H(CCCH)	108.4195	0.025	2	108.4195	0.001	2	108.0443	0.802	17	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CCHH)(H)2	C(CCHH)(CH3)2(Cl)	H(CCCH)	C(CClCC)(CCHH)(H)2	C(CCHH)(CH3)2(Cl)	H(CCCH)	106.7450	1.557	3	106.7450	2.424	3	108.0443	0.802	17	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(Cl)	H(CCCH)	C(CClCC)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(Cl)	H(CCCH)	107.5690	0.004	2	107.5690	0.000	2	108.0443	0.802	17	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CCHO)(H)2	C(CCHH)(CH3)2(Cl)	H(CCCH)	C(CClCC)(CCHO)(H)2	C(CCHH)(CH3)2(Cl)	H(CCCH)	108.0130	0.059	2	108.0130	0.004	2	108.0443	0.802	17	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CHHO)(H)2	C(CC[4]HH)(CCHH)(CH3)(Cl)	H(CCCH)	C(CClCC)(CHHO)(H)2	C(CC[4]HH)(CCHH)(CH3)(Cl)	H(CCCH)	108.5583	0.036	4	108.5583	0.001	4	108.0443	0.802	17	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CIrHH)(CCCF)(H)2	C(CCHH)(CF3)2(F)	H(CCCH)	C(CIrHH)(CCCF)(H)2	C(CCHH)(CF3)2(F)	H(CCCH)	107.8200	0.035	2	107.8200	0.001	2	108.0385	0.066	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CRhHH)(CCCF)(H)2	C(CCFF)(CCHH)(CF3)(F)	H(CCCH)	C(CRhHH)(CCCF)(H)2	C(CCFF)(CCHH)(CF3)(F)	H(CCCH)	108.2570	0.066	2	108.2570	0.004	2	108.0385	0.066	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	107.6495	0.156	4	107.6495	0.024	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(H)2	C(CCHH)(CHHP)(CH3)(H)	H(CCCH)	C(CCCH)(CC3)(H)2	C(CCHH)(CHHP)(CH3)(H)	H(CCCH)	107.8313	0.302	10	107.8313	0.091	10	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	107.5350	0.361	2	107.5350	0.130	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCCN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	107.7962	0.227	6	107.7962	0.052	6	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	107.6900	0.013	2	107.6900	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	107.6155	0.008	2	107.6155	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.0530	0.194	4	108.0530	0.038	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)3(H)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)3(H)	H(CCCH)	108.1765	0.018	2	108.1765	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CBHN)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CBHN)(CCHH)2(H)	H(CCCH)	107.7730	0.217	10	107.7730	0.047	10	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CBr3)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CBr3)(CCHH)2(H)	H(CCCH)	108.2572	0.303	4	108.2572	0.092	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCF)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCF)(CCHH)2(H)	H(CCCH)	108.5075	0.039	2	108.5075	0.002	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCHO)(H)	H(CCCH)	108.0530	0.000	2	108.0530	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	108.3936	0.590	36	108.3936	0.348	36	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)2(H)	H(CCCH)	107.6755	0.025	2	107.6755	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CF3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CF3)(H)	H(CCCH)	108.4790	0.000	1	108.4790	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CH3)(H)	H(CCCH)	108.3970	0.030	2	108.3970	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.2891	0.759	53	108.2891	0.575	53	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	H(CCCH)	108.0867	0.189	4	108.0867	0.036	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4498	0.701	234	108.4498	0.492	234	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCCH)	109.1935	0.005	2	109.1935	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	107.2884	1.302	7	107.2884	1.696	7	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	H(CCCH)	108.3800	0.000	1	108.3800	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	108.3979	0.294	15	108.3979	0.086	15	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	108.7189	0.563	26	108.7189	0.317	26	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	H(CCCH)	108.3399	0.345	8	108.3399	0.119	8	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.5349	0.473	34	108.5349	0.224	34	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	106.5820	0.000	1	106.5820	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	108.0517	0.083	4	108.0517	0.007	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHS)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHS)(H)	H(CCCH)	108.6675	0.030	2	108.6675	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCHH)3(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCHH)3(H)	H(CCCH)	108.4655	0.110	4	108.4655	0.012	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCCO)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCCO)(CCHH)(H)	H(CCCH)	107.8728	0.162	6	107.8728	0.026	6	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]BrC)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]BrC)(CCHH)(CH3)(H)	H(CCCH)	109.0595	0.028	2	109.0595	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCCO)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCCO)(CCHH)(H)	H(CCCH)	108.6625	0.008	2	108.6625	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCCH)	108.3920	0.074	2	108.3920	0.005	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)2(H)	H(CCCH)	108.2660	0.346	4	108.2660	0.120	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)2(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[5]HH)2(CCHH)(H)	H(CCCH)	108.1985	0.066	4	108.1985	0.004	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6]CH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6]CH)(CCHH)2(H)	H(CCCH)	108.1895	0.112	2	108.1895	0.013	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CCCH)	106.7823	1.174	4	106.7823	1.378	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CCHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CCHO)(H)	H(CCCH)	108.3990	0.011	2	108.3990	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)2(H)	H(CCCH)	108.8055	0.030	2	108.8055	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	H(CCCH)	108.4086	0.064	7	108.4086	0.004	7	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	H(CCCH)	108.6653	0.127	4	108.6653	0.016	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(CH3)(H)	H(CCCH)	108.6600	0.021	2	108.6600	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	H(CCCH)	107.6142	0.044	4	107.6142	0.002	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCHO)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCHO)(H)	H(CCCH)	107.6860	0.000	1	107.6860	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CCCH)	107.5650	0.024	2	107.5650	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)2(H)	H(CCCH)	108.4690	0.088	4	108.4690	0.008	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CCoCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CCoCH)(CCHH)2(H)	H(CCCH)	109.1105	0.018	2	109.1105	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CCCH)	108.4100	0.132	5	108.4100	0.017	5	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)2(H)	H(CCCH)	107.5260	0.041	2	107.5260	0.002	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(H)2	C(CPtCH)(CCHH)(CCHP)(H)	H(CCCH)	C(CCCH)(CCHH)(H)2	C(CPtCH)(CCHH)(CCHP)(H)	H(CCCH)	109.1245	0.053	2	109.1245	0.003	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCl3)(CH3)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCl3)(CH3)(H)	H(CCCH)	108.7145	0.033	2	108.7145	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CF3)(CH3)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CF3)(CH3)(H)	H(CCCH)	108.7145	0.005	2	108.7145	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.3901	1.056	811	108.3901	1.115	811	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	107.8309	0.647	16	107.8309	0.419	16	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)2(H)	H(CCCH)	106.9790	0.024	2	106.9790	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.6980	0.112	4	108.6980	0.013	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.3621	0.175	8	108.3621	0.031	8	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.7136	0.334	8	108.7136	0.112	8	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CC[3,6]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CC[3,6]HH)(CCHH)(CH3)(H)	H(CCCH)	108.1610	0.148	3	108.1610	0.022	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CCCH)	107.1395	0.008	2	107.1395	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	H(CCCH)	108.4380	0.027	2	108.4380	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CCCH)	108.6990	0.033	2	108.6990	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(H)2	C(CSiCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CCHO)(H)2	C(CSiCH)(CCHH)2(H)	H(CCCH)	108.0600	0.038	2	108.0600	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCOO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCOO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.5675	0.008	2	108.5675	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCOP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CCOP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	107.9830	0.540	4	107.9830	0.291	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCHN)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCHN)(H)	H(CCCH)	108.1640	0.013	2	108.1640	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CH3)(H)	H(CCCH)	108.6877	0.187	3	108.6877	0.035	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	H(CCCH)	109.3020	0.974	23	109.3020	0.949	23	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(CH3)(H)	H(CCCH)	109.0683	0.071	4	109.0683	0.005	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)2(H)	H(CCCH)	107.0745	5.481	2	107.0745	30.039	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCCO)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCCO)(CCHH)(CH3)(H)	H(CCCH)	108.9167	0.095	3	108.9167	0.009	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CF3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CF3)(H)	H(CCCH)	108.3850	0.038	2	108.3850	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	H(CCCH)	108.6857	0.987	230	108.6857	0.975	230	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CHHO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CHHO)(H)	H(CCCH)	109.0170	0.092	4	109.0170	0.008	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.9607	1.949	14	108.9607	3.797	14	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	109.3304	1.198	11	109.3304	1.436	11	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.0271	1.337	9	108.0271	1.787	9	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	108.6880	0.040	2	108.6880	0.002	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	108.6857	0.168	21	108.6857	0.028	21	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHS)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHS)(H)	H(CCCH)	108.3250	0.031	2	108.3250	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[3x6]HN)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[3x6]HN)(CCHH)(CH3)(H)	H(CCCH)	109.3935	1.459	2	109.3935	2.128	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[5]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[5]HH)(CCHH)2(H)	H(CCCH)	108.1623	0.080	4	108.1623	0.006	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CF3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CF3)(H)	H(CCCH)	108.3520	0.014	2	108.3520	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CH3)(H)	H(CCCH)	108.6470	0.248	11	108.6470	0.061	11	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[5]HO)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[5]HO)(CCHH)(CH3)(H)	H(CCCH)	108.5535	0.155	8	108.5535	0.024	8	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[5a]HO)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[5a]HO)(CCHH)2(H)	H(CCCH)	108.6095	0.049	4	108.6095	0.002	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6]CH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6]CH)(CCHH)2(H)	H(CCCH)	108.7510	0.011	2	108.7510	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CCCH)	108.7296	0.090	7	108.7296	0.008	7	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	H(CCCH)	108.3610	0.000	1	108.3610	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	H(CCCH)	108.8208	0.227	6	108.8208	0.052	6	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	H(CCCH)	108.7382	0.405	4	108.7382	0.164	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	H(CCCH)	108.6628	0.276	12	108.6628	0.076	12	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	H(CCCH)	108.1859	0.650	12	108.1859	0.423	12	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(CH3)(H)	H(CCCH)	108.7480	0.022	5	108.7480	0.000	5	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)2(H)	H(CCCH)	108.6650	0.075	2	108.6650	0.006	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CN[6a]HH)(CCHH)2(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CN[6a]HH)(CCHH)2(H)	H(CCCH)	108.6362	0.037	4	108.6362	0.001	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	H(CCCH)	108.5415	0.021	2	108.5415	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	H(CCCH)	C(CCCH)(CH3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	H(CCCH)	108.5650	0.000	1	108.5650	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.8074	0.344	11	108.8074	0.118	11	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	108.6108	0.473	19	108.6108	0.224	19	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)2(CF3)(H)	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)2(CF3)(H)	H(CCCH)	107.3413	1.863	4	107.3413	3.470	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CHHN)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.7883	0.549	3	108.7883	0.301	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.8197	0.054	3	108.8197	0.003	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4574	0.491	25	108.4574	0.241	25	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCCH)	109.0595	0.114	2	109.0595	0.013	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.4660	0.000	1	108.4660	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	H(CCCH)	109.0640	0.024	2	109.0640	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	H(CCCH)	108.0637	0.043	4	108.0637	0.002	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CCCH)	C(CCCH)(CHHO)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	H(CCCH)	108.9155	0.016	2	108.9155	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHHP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.9080	0.172	4	108.9080	0.030	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHS)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHHS)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.3030	0.378	4	108.3030	0.143	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHS)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)(CHHS)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.2725	0.018	2	108.2725	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHS)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	H(CCCH)	C(CCCH)(CHHS)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	H(CCCH)	109.1070	0.026	3	109.1070	0.001	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHNN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHNN)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4245	0.037	2	108.4245	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHNP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHNP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.7837	0.029	4	108.7837	0.001	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHOP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)(CHOP)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4075	0.008	2	108.4075	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CCHN)(CHHP)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CCHN)(CHHP)(H)	H(CCCH)	108.1095	0.155	4	108.1095	0.024	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.6296	0.565	19	108.6296	0.319	19	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CCNP)(CHHN)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CCNP)(CHHN)(H)	H(CCCH)	111.1590	0.267	2	111.1590	0.071	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.0050	0.935	50	108.0050	0.874	50	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	108.4325	0.021	4	108.4325	0.000	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.5624	0.257	15	108.5624	0.066	15	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	C(CCCH)2(H)2	C(CCHH)2(CHHN)(H)	H(CCCH)	108.1991	0.222	37	108.1991	0.049	37	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCCH)	108.3215	0.028	2	108.3215	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]HH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[3]HH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	107.8095	0.016	2	107.8095	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]HH)(CCCH)(H)2	C(CC[3]HO)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[3]HH)(CCCH)(H)2	C(CC[3]HO)(CCCH)(CCHH)(H)	H(CCCH)	108.2700	0.007	2	108.2700	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]BrH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[5]BrH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4665	0.022	2	108.4665	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	H(CCCH)	108.4115	0.295	6	108.4115	0.087	6	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.0943	0.360	4	108.0943	0.130	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CCCH)	107.1100	0.000	1	107.1100	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCHO)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCHO)(H)	H(CCCH)	108.8662	0.316	4	108.8662	0.100	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	109.0340	0.000	1	109.0340	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[5]HH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.5970	0.045	3	108.5970	0.002	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HN)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[5]HN)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.5555	0.022	4	108.5555	0.000	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HO)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	C(CC[5]HO)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	106.2095	2.239	2	106.2095	5.015	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]2H)(CCCH)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	C(CC[5a]2H)(CCCH)(H)2	C(CCHH)2(CC3)(H)	H(CCCH)	107.8315	0.057	2	107.8315	0.003	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5a]HN)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[5a]HN)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.6440	0.023	2	108.6440	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]2H)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6]2H)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.6500	0.112	8	108.6500	0.012	8	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.4855	0.146	6	108.4855	0.021	6	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.7193	0.118	4	108.7193	0.014	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	107.0030	2.367	2	107.0030	5.605	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[6]HH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.3917	0.221	6	108.3917	0.049	6	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HO)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.6397	0.699	12	108.6397	0.488	12	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HO)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[6]HO)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	108.6435	0.021	2	108.6435	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]TaH)(CCCH)(H)2	C(CTa2C)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]TaH)(CCCH)(H)2	C(CTa2C)(CCHH)(CH3)(H)	H(CCCH)	110.6905	0.485	4	110.6905	0.235	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]2C)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6a]2C)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	107.8110	0.018	2	107.8110	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]2H)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6a]2H)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4500	0.118	3	108.4500	0.014	3	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	C(CC[6a]CH)(CCCH)(H)2	C(CCHH)(CHHO)(CH3)(H)	H(CCCH)	108.2175	0.040	2	108.2175	0.002	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CO)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	C(CC[6a]CO)(CCCH)(H)2	C(CCHH)2(CH3)(H)	H(CCCH)	107.3645	0.013	2	107.3645	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6a]C[6]H)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.3520	0.026	5	108.3520	0.001	5	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	H(CCCH)	108.2635	0.049	2	108.2635	0.002	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.2905	0.006	2	108.2905	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CHHN)2(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CCHH)(CHHN)2(H)	H(CCCH)	109.0037	0.876	4	109.0037	0.768	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	H(CCCH)	108.6728	0.041	4	108.6728	0.002	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(H)2	C(CRhCH)(CCHH)2(H)	H(CCCH)	C(CC[6a]HH)(CCCH)(H)2	C(CRhCH)(CCHH)2(H)	H(CCCH)	108.7980	0.033	2	108.7980	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HN)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CC[6a]HN)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.5590	0.013	2	108.5590	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(CCCH)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	C(CC[6a]HO)(CCCH)(H)2	C(CCHH)2(CHHO)(H)	H(CCCH)	109.1180	0.000	1	109.1180	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCoCH)(CCCH)(H)2	C(CCoCH)(CCHH)2(H)	H(CCCH)	C(CCoCH)(CCCH)(H)2	C(CCoCH)(CCHH)2(H)	H(CCCH)	109.2205	0.023	2	109.2205	0.001	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CFeCC)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CFeCC)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	109.4085	0.124	2	109.4085	0.015	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CGeHH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CGeHH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.2960	0.018	2	108.2960	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[5]CH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4812	0.229	10	108.4812	0.052	10	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[5]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.5657	0.975	6	108.5657	0.950	6	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[5a]CH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.4734	0.041	5	108.4734	0.002	5	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5a]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[5a]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.8565	0.046	4	108.8565	0.002	4	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5a]HH)(CCCH)(H)2	C(CCHH)(CHHO)2(H)	H(CCCH)	C(CN[5a]HH)(CCCH)(H)2	C(CCHH)(CHHO)2(H)	H(CCCH)	109.3955	0.022	2	109.3955	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[6]CH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.3140	0.597	2	108.3140	0.356	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CN[6]HH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.9694	0.436	12	108.9694	0.190	12	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	H(CCCH)	C(CN[6]HH)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	H(CCCH)	108.5410	0.000	1	108.5410	0.000	1	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CP[5]HO)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	C(CP[5]HO)(CCCH)(H)2	C(CCHH)(CH3)2(H)	H(CCCH)	108.1160	0.286	2	108.1160	0.082	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CRhCC)(CCCH)(H)2	C(CRhCH)(CCHH)2(H)	H(CCCH)	C(CRhCC)(CCCH)(H)2	C(CRhCH)(CCHH)2(H)	H(CCCH)	109.1000	0.004	2	109.1000	0.000	2	108.4467	0.808	2234	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(O)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(O)	H(CCCH)	109.3955	0.141	2	109.3955	0.020	2	109.3955	0.020	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CCHH)(CFHP)(NH3)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CCHH)(CFHP)(NH3)(H)	H(CCCH)	108.7295	0.033	2	108.7295	0.001	2	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NH3)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NH3)(H)	H(CCCH)	108.1990	0.000	1	108.1990	0.000	1	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NH3)(H)	H(CCCH)	108.8150	0.212	4	108.8150	0.045	4	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CF3)(NH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CF3)(NH3)(H)	H(CCCH)	108.5175	0.019	2	108.5175	0.000	2	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	H(CCCH)	108.2655	0.063	4	108.2655	0.004	4	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHOO)(NH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)(CHOO)(NH3)(H)	H(CCCH)	108.8545	0.241	8	108.8545	0.058	8	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCCH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCCH)(H)	H(CCCH)	109.3820	4.429	2	109.3820	19.619	2	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCHH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCHH)(H)	H(CCCH)	108.8950	0.242	8	108.8950	0.059	8	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CCHH)2(NH3)(H)	H(CCCH)	108.0365	0.811	170	108.0365	0.658	170	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(CCCH)	108.5650	0.000	1	108.5650	0.000	1	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	H(CCCH)	108.6818	0.090	6	108.6818	0.008	6	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(H)	H(CCCH)	108.2036	1.080	8	108.2036	1.167	8	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(CCCH)	108.9584	0.336	14	108.9584	0.113	14	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NH3)(H)	H(CCCH)	109.0637	0.110	3	109.0637	0.012	3	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)2(NH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)2(NH3)(H)	H(CCCH)	109.0205	0.030	2	109.0205	0.001	2	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	H(CCCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	H(CCCH)	109.1186	0.176	7	109.1186	0.031	7	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CClHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	H(CCCH)	C(CClHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	H(CCCH)	108.4755	0.013	2	108.4755	0.000	2	108.2610	0.728	244	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(CPtCH)(CCHH)(PCCN)(H)	H(CCCH)	C(CCHH)(CCHP)(H)2	C(CPtCH)(CCHH)(PCCN)(H)	H(CCCH)	108.8120	0.059	2	108.8120	0.004	2	108.1200	3.341	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(CCHN)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	H(CCCH)	C(CCHN)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	H(CCCH)	107.4280	2.847	2	107.4280	8.104	2	108.1200	3.341	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)(H)	H(CCCH)	108.1360	0.037	4	108.1360	0.001	4	108.0041	0.151	36	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(CCCH)	107.8385	0.207	27	107.8385	0.043	27	108.0041	0.151	36	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(CCCH)	108.9317	0.200	3	108.9317	0.040	3	108.0041	0.151	36	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(CCCH)	108.5855	0.069	2	108.5855	0.005	2	108.0041	0.151	36	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:H-1:	C-4:	C(CHNP)(CH3)(H)2	C(CCHH)(NCHH)(PO3)(H)	H(CCCH)	C(CHNP)(CH3)(H)2	C(CCHH)(NCHH)(PO3)(H)	H(CCCH)	108.1465	0.023	2	108.1465	0.001	2	108.6507	0.154	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:H-1:	C-4:	C(CHNP)(CH3)(H)2	C(CCHH)(NH3)(PO3)(H)	H(CCCH)	C(CHNP)(CH3)(H)2	C(CCHH)(NH3)(PO3)(H)	H(CCCH)	108.9027	0.052	4	108.9027	0.003	4	108.6507	0.154	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:Si-4:H-1:	C-4:	C(CSiHP)(CCHH)(H)2	C(CCHH)(PBCC)(SiC3)(H)	H(CCCH)	C(CSiHP)(CCHH)(H)2	C(CCHH)(PBCC)(SiC3)(H)	H(CCCH)	108.7725	0.019	2	108.7725	0.000	2	108.7725	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	109.1005	0.971	6	109.1005	0.943	6	108.6456	0.898	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHH)(CCHS)(H)2	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHS)(H)2	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	H(CCCH)	107.9633	0.293	4	107.9633	0.086	4	108.6456	0.898	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:S-4:S-4:H-1:	C-4:	C(CHSS)2(H)2	C(CCHH)(SCOO)2(H)	H(CCCH)	C(CHSS)2(H)2	C(CCHH)(SCOO)2(H)	H(CCCH)	108.6567	0.015	6	108.6567	0.000	6	108.6567	0.000	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	H(CCCH)	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	H(CCCH)	108.6985	0.035	2	108.6985	0.001	2	108.1411	0.090	23	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	H(CCCH)	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	H(CCCH)	108.0180	0.220	17	108.0180	0.049	17	108.1411	0.090	23	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(CC[3]HH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	H(CCCH)	C(CC[3,5]CH)(CC[3]HH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	H(CCCH)	108.3858	0.160	4	108.3858	0.026	4	108.1411	0.090	23	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)2(H)	H(CCCH)	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)2(H)	H(CCCH)	109.1773	0.018	4	109.1773	0.000	4	108.5290	0.535	22	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	H(CCCH)	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	H(CCCH)	108.5358	0.044	4	108.5358	0.002	4	108.5290	0.535	22	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	H(CCCH)	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	H(CCCH)	108.2169	1.105	8	108.2169	1.221	8	108.5290	0.535	22	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[3]CH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	H(CCCH)	108.5083	0.212	6	108.5083	0.045	6	108.5290	0.535	22	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3x5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x5,6]CH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[3x5,6]CH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	H(CCCH)	107.7787	0.502	3	107.7787	0.252	3	107.7787	0.252	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[3x6]CH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	H(CCCH)	C(CC[3x6]CH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	H(CCCH)	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[4,5,5,3x6]-4:C-4:C-4:H-1:	C-4:	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	H(CCCH)	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	H(CCCH)	108.0260	0.013	2	108.0260	0.000	2	108.0260	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	H(CCCH)	C(CC[4]CH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	H(CCCH)	108.5120	0.011	2	108.5120	0.000	2	108.4900	0.001	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(CH3)(H)2	C(C[4]S[4]2S)(CCHH)(CH3)(H)	H(CCCH)	C(CC[4]CH)(CH3)(H)2	C(C[4]S[4]2S)(CCHH)(CH3)(H)	H(CCCH)	108.4680	0.016	2	108.4680	0.000	2	108.4900	0.001	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,5]CH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	H(CCCH)	108.7717	0.647	4	108.7717	0.418	4	108.9078	0.296	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]CH)(CH3)(H)2	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,5]CH)(CH3)(H)2	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	H(CCCH)	109.1800	0.023	2	109.1800	0.001	2	108.9078	0.296	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.1230	0.023	2	108.1230	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	108.3480	0.021	2	108.3480	0.000	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[4]HH)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[4]HH)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.3715	0.042	2	108.3715	0.002	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	108.0675	0.100	4	108.0675	0.010	4	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	107.5570	0.028	2	107.5570	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	H(CCCH)	107.1985	0.047	2	107.1985	0.002	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	107.7955	0.330	6	107.7955	0.109	6	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	H(CCCH)	107.9003	0.411	3	107.9003	0.169	3	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	H(CCCH)	108.5410	0.007	2	108.5410	0.000	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]B[5]N[5]H)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]B[5]N[5]H)(CCHH)2(H)	H(CCCH)	107.7643	0.059	4	107.7643	0.004	4	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	H(CCCH)	108.4270	0.013	2	108.4270	0.000	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	H(CCCH)	108.9928	0.177	4	108.9928	0.031	4	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.5154	0.991	539	108.5154	0.983	539	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	108.1431	0.813	20	108.1431	0.661	20	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	H(CCCH)	108.2825	0.005	2	108.2825	0.000	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	H(CCCH)	108.8647	0.497	6	108.8647	0.247	6	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	H(CCCH)	107.7995	0.050	2	107.7995	0.003	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.7585	0.036	2	108.7585	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	H(CCCH)	108.4236	0.468	24	108.4236	0.219	24	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)2(H)	H(CCCH)	108.4845	0.009	2	108.4845	0.000	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	H(CCCH)	107.6938	0.174	6	107.6938	0.030	6	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.5410	0.514	8	108.5410	0.265	8	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	H(CCCH)	108.0475	0.046	2	108.0475	0.002	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.2368	0.102	5	108.2368	0.010	5	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	107.5780	1.094	4	107.5780	1.196	4	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	H(CCCH)	108.3920	0.038	2	108.3920	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	108.3689	0.291	29	108.3689	0.085	29	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HO)(H)2	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HO)(H)2	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.9970	0.000	1	108.9970	0.000	1	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	108.2597	0.179	18	108.2597	0.032	18	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.2967	0.581	3	108.2967	0.338	3	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	H(CCCH)	108.4780	0.033	2	108.4780	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	H(CCCH)	108.7523	0.201	15	108.7523	0.040	15	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	H(CCCH)	108.7127	0.071	13	108.7127	0.005	13	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	H(CCCH)	110.0040	0.000	1	110.0040	0.000	1	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	H(CCCH)	108.7017	0.063	3	108.7017	0.004	3	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	H(CCCH)	109.1405	0.018	2	109.1405	0.000	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.0968	2.389	11	108.0968	5.709	11	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	H(CCCH)	108.9080	0.024	2	108.9080	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(H)2	C(C[5]N[5]O[5]H)(CCHH)2(H)	H(CCCH)	C(CC[5]CH)(CH3)(H)2	C(C[5]N[5]O[5]H)(CCHH)2(H)	H(CCCH)	108.5990	0.376	2	108.5990	0.142	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	H(CCCH)	108.9275	0.030	2	108.9275	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCCH)	108.5832	0.029	4	108.5832	0.001	4	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CRuCC)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CRuCC)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	H(CCCH)	107.5760	0.122	4	107.5760	0.015	4	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CZrHO)(H)2	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)(CZrHO)(H)2	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	H(CCCH)	109.3855	0.029	2	109.3855	0.001	2	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	108.5369	0.343	14	108.5369	0.117	14	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]ClH)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]ClH)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	H(CCCH)	108.6893	0.086	6	108.6893	0.007	6	108.4673	0.830	793	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	H(CCCH)	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	H(CCCH)	108.6870	0.117	5	108.6870	0.014	5	108.6506	0.013	7	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	C-4:	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	H(CCCH)	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	H(CCCH)	108.5595	0.019	2	108.5595	0.000	2	108.6506	0.013	7	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CC[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(C[5]C[5]2Zr)(CCHH)(H)	H(CCCH)	C(CC[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(C[5]C[5]2Zr)(CCHH)(H)	H(CCCH)	108.0395	0.052	4	108.0395	0.003	4	108.0395	0.003	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	H(CCCH)	109.0495	0.109	13	109.0495	0.012	13	108.8995	0.124	19	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CCHH)(H)	H(CCCH)	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CCHH)(H)	H(CCCH)	108.3380	0.402	4	108.3380	0.161	4	108.8995	0.124	19	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C-4:	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	H(CCCH)	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	H(CCCH)	109.0480	0.062	2	109.0480	0.004	2	108.8995	0.124	19	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:S-4:C-4:H-1:	C-4:	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	109.0755	0.018	2	109.0755	0.000	2	109.0755	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:	C(CC[6,6]CH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6,6]CH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	H(CCCH)	108.7285	0.011	2	108.7285	0.000	2	108.7285	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C-4:	C(CC[6]ClC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(CCCH)	C(CC[6]ClC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(CCCH)	107.0985	0.040	2	107.0985	0.002	2	106.9650	0.054	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C-4:	C(CC[6]ClC)(CCl3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(CCCH)	C(CC[6]ClC)(CCl3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	H(CCCH)	106.6980	0.000	1	106.6980	0.000	1	106.9650	0.054	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[3,5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	107.6412	0.614	4	107.6412	0.377	4	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]HH)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5,5]HH)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.5235	0.050	2	108.5235	0.003	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	108.5964	0.407	7	108.5964	0.166	7	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.4913	0.167	6	108.4913	0.028	6	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCCO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	107.4065	0.019	2	107.4065	0.000	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	107.7110	0.000	1	107.7110	0.000	1	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	H(CCCH)	108.6730	0.065	2	108.6730	0.004	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.1120	0.000	1	108.1120	0.000	1	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	H(CCCH)	107.9550	0.000	1	107.9550	0.000	1	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	H(CCCH)	105.6815	0.548	2	105.6815	0.300	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	H(CCCH)	107.6881	0.192	12	107.6881	0.037	12	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	107.3936	0.653	17	107.3936	0.427	17	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	H(CCCH)	108.5305	0.168	4	108.5305	0.028	4	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.6065	0.019	2	108.6065	0.000	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	108.8692	0.104	6	108.8692	0.011	6	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	109.0782	0.371	6	109.0782	0.138	6	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	108.4955	0.493	2	108.4955	0.243	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.2770	0.091	2	108.2770	0.008	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	H(CCCH)	108.0318	0.394	4	108.0318	0.155	4	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	H(CCCH)	108.3195	0.022	2	108.3195	0.000	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	H(CCCH)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	H(CCCH)	108.0685	0.152	2	108.0685	0.023	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	H(CCCH)	108.7853	0.112	3	108.7853	0.013	3	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHO)(H)2	C(C[6]S[6]2H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CCHO)(H)2	C(C[6]S[6]2H)(CCHH)(CH3)(H)	H(CCCH)	108.4360	0.000	1	108.4360	0.000	1	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.7903	0.723	6	108.7903	0.523	6	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	H(CCCH)	109.1093	0.047	3	109.1093	0.002	3	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	H(CCCH)	108.7335	0.042	2	108.7335	0.002	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.7591	0.208	16	108.7591	0.043	16	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	H(CCCH)	108.9840	0.027	2	108.9840	0.001	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	H(CCCH)	108.7434	0.105	10	108.7434	0.011	10	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	H(CCCH)	108.9475	0.016	2	108.9475	0.000	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CHHI)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6]CH)(CHHI)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	H(CCCH)	107.1635	0.320	2	107.1635	0.103	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	H(CCCH)	109.0575	0.005	2	109.0575	0.000	2	108.3064	0.547	136	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C[3]-4:C-4:H-1:	C-4:	C(CC[3]C[6]H)(CH3)(H)2	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	H(CCCH)	C(CC[3]C[6]H)(CH3)(H)2	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	H(CCCH)	109.0410	0.031	2	109.0410	0.001	2	109.0410	0.001	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:S-4:C-4:H-1:	C-4:	C(CC[6]HS)(CC3)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	C(CC[6]HS)(CC3)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	H(CCCH)	107.8965	0.025	2	107.8965	0.001	2	107.8965	0.001	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NC[6]Ir2)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NC[6]Ir2)(CCHH)(CHHO)(H)	H(CCCH)	108.4195	0.006	2	108.4195	0.000	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NFeCH)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NFeCH)(CCHH)(CHHO)(H)	H(CCCH)	108.7368	0.299	15	108.7368	0.090	15	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(H)2	C(NIrCH)(CCHH)(CHHO)(H)	H(CCCH)	C(CCCH)(CCHN)(H)2	C(NIrCH)(CCHH)(CHHO)(H)	H(CCCH)	108.0385	0.042	2	108.0385	0.002	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NCoCC)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCoCC)(CCHH)(CH3)(H)	H(CCCH)	107.8937	0.200	8	107.8937	0.040	8	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NCoCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCoCH)(CCHH)(CH3)(H)	H(CCCH)	108.2471	0.653	10	108.2471	0.426	10	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)(H)	H(CCCH)	107.4935	0.159	21	107.4935	0.025	21	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NCuCC)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCuCC)(CCHH)(CH3)(H)	H(CCCH)	108.3775	2.758	4	108.3775	7.608	4	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	H(CCCH)	107.9656	0.853	14	107.9656	0.728	14	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NFeCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NFeCH)(CCHH)(CH3)(H)	H(CCCH)	107.3897	0.053	4	107.3897	0.003	4	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NNiCC)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NNiCC)(CCHH)(CH3)(H)	H(CCCH)	107.7505	0.261	8	107.7505	0.068	8	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)(H)	H(CCCH)	107.5015	0.223	132	107.5015	0.050	132	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NRhCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NRhCH)(CCHH)(CH3)(H)	H(CCCH)	107.4827	0.138	3	107.4827	0.019	3	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCN)(CCHN)(H)2	C(NRuCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NRuCH)(CCHH)(CH3)(H)	H(CCCH)	105.7200	2.831	2	105.7200	8.016	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCO)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCCO)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	H(CCCH)	108.4955	0.035	2	108.4955	0.001	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCCO)(CCHN)(H)2	C(NZnCC)(CCHH)(CH3)(H)	H(CCCH)	C(CCCO)(CCHN)(H)2	C(NZnCC)(CCHH)(CH3)(H)	H(CCCH)	107.6375	0.035	2	107.6375	0.001	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CH3)(H)	H(CCCH)	108.2450	0.010	4	108.2450	0.000	4	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	C(CCHH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	108.0343	0.316	4	108.0343	0.100	4	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CCHP)(H)2	C(NPdCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CCHP)(H)2	C(NPdCH)(CCHH)(CH3)(H)	H(CCCH)	107.7500	0.027	2	107.7500	0.001	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[6]CuH)(CCHH)2(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[6]CuH)(CCHH)2(H)	H(CCCH)	108.8900	0.031	2	108.8900	0.001	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)(H)2	C(NC[6]HH)(CCHH)2(H)	H(CCCH)	C(CCHN)(CH3)(H)2	C(NC[6]HH)(CCHH)2(H)	H(CCCH)	108.4375	0.400	4	108.4375	0.160	4	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]CuH)(CCHH)2(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]CuH)(CCHH)2(H)	H(CCCH)	108.3470	0.016	2	108.3470	0.000	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	H(CCCH)	108.9050	0.006	2	108.9050	0.000	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)2(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)2(H)	H(CCCH)	108.5120	0.505	2	108.5120	0.255	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]NiH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]NiH)(CCHH)(CH3)(H)	H(CCCH)	108.2540	0.337	3	108.2540	0.114	3	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NC[6]ZnH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NC[6]ZnH)(CCHH)(CH3)(H)	H(CCCH)	107.6093	0.407	3	107.6093	0.166	3	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CHHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CHHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	H(CCCH)	108.2330	0.021	2	108.2330	0.000	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)2(H)2	C(NCoCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)2(H)2	C(NCoCH)(CCHH)(CH3)(H)	H(CCCH)	108.7390	0.676	2	108.7390	0.457	2	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)2(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	C(CCHN)2(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	108.2280	0.030	3	108.2280	0.001	3	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)2(H)2	C(NPtCH)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)2(H)2	C(NPtCH)(CCHH)(CH3)(H)	H(CCCH)	107.5814	2.744	5	107.5814	7.528	5	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CC[6]HH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	C(CC[6]HH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	108.4562	0.212	6	108.4562	0.045	6	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)(H)	H(CCCH)	C(CC[6a]HN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)(H)	H(CCCH)	108.3620	0.134	4	108.3620	0.018	4	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	C(CN[6]CH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	H(CCCH)	108.3840	0.163	6	108.3840	0.027	6	107.7972	0.516	285	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCCH)(H)2	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	H(CCCH)	C(CN[6]CH)(CCCH)(H)2	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	H(CCCH)	108.3235	0.622	2	108.3235	0.386	2	108.1997	0.108	14	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	H(CCCH)	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	H(CCCH)	107.9930	0.307	6	107.9930	0.094	6	108.1997	0.108	14	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CCHN)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	H(CCCH)	C(CN[6]CH)(CCHN)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	H(CCCH)	108.3652	0.138	6	108.3652	0.019	6	108.1997	0.108	14	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(PB[6]CC)(CPtCH)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHP)(H)2	C(PB[6]CC)(CPtCH)(CCHH)(H)	H(CCCH)	109.1260	0.010	2	109.1260	0.000	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(PC[5]CC)(CPdCH)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHP)(H)2	C(PC[5]CC)(CPdCH)(CCHH)(H)	H(CCCH)	109.2850	0.044	2	109.2850	0.002	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHP)(H)2	C(PC[6a]2N)(CAlHH)(CCHH)(H)	H(CCCH)	C(CCHH)(CCHP)(H)2	C(PC[6a]2N)(CAlHH)(CCHH)(H)	H(CCCH)	109.3605	0.029	2	109.3605	0.001	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CCHP)(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	H(CCCH)	C(CCHN)(CCHP)(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	H(CCCH)	107.7265	0.023	2	107.7265	0.001	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CH3)(H)2	C(PC[6a]2S)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)(CH3)(H)2	C(PC[6a]2S)(CCHH)(CH3)(H)	H(CCCH)	109.1167	0.112	4	109.1167	0.013	4	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CH3)(H)2	C(PSeOO)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)(CH3)(H)2	C(PSeOO)(CCHH)(CH3)(H)	H(CCCH)	109.1095	0.025	2	109.1095	0.001	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCCH)	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCCH)	109.0970	0.110	2	109.0970	0.012	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	109.0870	0.044	2	109.0870	0.002	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	C(CCHP)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	H(CCCH)	108.0197	0.708	10	108.0197	0.501	10	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(CH3)(H)	H(CCCH)	108.2149	0.091	11	108.2149	0.008	11	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)2(H)2	C(PC[6a]2Co)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)2(H)2	C(PC[6a]2Co)(CCHH)(CH3)(H)	H(CCCH)	107.5295	0.033	2	107.5295	0.001	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)2(H)2	C(PC[6a]2Cr)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)2(H)2	C(PC[6a]2Cr)(CCHH)(CH3)(H)	H(CCCH)	107.6410	0.025	3	107.6410	0.001	3	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)2(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)2(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	H(CCCH)	107.2742	1.854	5	107.2742	3.436	5	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(CCHP)2(H)2	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	H(CCCH)	C(CCHP)2(H)2	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	H(CCCH)	109.7635	0.047	2	109.7635	0.002	2	108.3626	0.876	51	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)(CP[5]HH)(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	H(CCCH)	C(CP[5]CH)(CP[5]HH)(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	H(CCCH)	108.4715	0.032	2	108.4715	0.001	2	107.6656	0.215	16	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)2(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	H(CCCH)	C(CP[5]CH)2(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	H(CCCH)	107.6610	0.029	3	107.6610	0.001	3	107.6656	0.215	16	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	C-4:	C(CP[5]CH)2(H)2	C(P[5]C[5]2S)(CCHH)(CH3)(H)	H(CCCH)	C(CP[5]CH)2(H)2	C(P[5]C[5]2S)(CCHH)(CH3)(H)	H(CCCH)	107.5204	0.410	11	107.5204	0.168	11	107.6656	0.215	16	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHI)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(H)	H(CCCH)	C(CCHI)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(H)	H(CCCH)	108.4050	0.180	3	108.4050	0.032	3	108.3398	0.025	5	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CSeCH)(CCHH)(H)	H(CCCH)	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CSeCH)(CCHH)(H)	H(CCCH)	108.2420	0.066	2	108.2420	0.004	2	108.3398	0.025	5	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:O-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(H)(O)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(H)(O)	C(CCHO)2(CH3)(H)	H(CCCO)	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:O-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(H)(O)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(H)(O)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(CCCO)	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	H(CC[5]CH)	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	H(CC[5]CH)	109.0510	0.007	2	109.0510	0.000	2	109.0510	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(NCoCH)(H)2	C(CHHN)3(Cl)	H(CCHN)	C(CClCC)(NCoCH)(H)2	C(CHHN)3(Cl)	H(CCHN)	107.7978	3.351	4	107.7978	11.227	4	107.7978	11.227	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCCH)(H)2	C(CC[6a]CH)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCCH)(H)2	C(CC[6a]CH)(CHHN)(CH3)(H)	H(CCHN)	108.6206	0.113	21	108.6206	0.013	21	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCCH)(H)2	C(CHHN)2(CH3)(H)	H(CCHN)	C(CCCH)(NCCH)(H)2	C(CHHN)2(CH3)(H)	H(CCHN)	108.5706	0.235	8	108.5706	0.055	8	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	H(CCHN)	108.5587	0.212	6	108.5587	0.045	6	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCHH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NCHH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.8190	0.249	20	108.8190	0.062	20	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCHN)	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CF3)(H)	H(CCHN)	109.5345	0.021	2	109.5345	0.000	2	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCHN)	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CH3)(H)	H(CCHN)	108.8359	0.271	8	108.8359	0.074	8	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(H)2	C(CCHH)2(CHHN)(H)	H(CCHN)	C(CCCH)(NH3)(H)2	C(CCHH)2(CHHN)(H)	H(CCHN)	108.9180	0.321	38	108.9180	0.103	38	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(CCCH)(NH3)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.5544	0.718	18	108.5544	0.515	18	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(H)2	C(CHHN)(CHHS)2(H)	H(CCHN)	C(CCCH)(NH3)(H)2	C(CHHN)(CHHS)2(H)	H(CCHN)	109.0090	0.060	4	109.0090	0.004	4	108.7679	0.156	125	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(NCCH)(H)2	C(CHHN)(CH3)(NH3)(H)	H(CCHN)	C(CCHN)(NCCH)(H)2	C(CHHN)(CH3)(NH3)(H)	H(CCHN)	108.3040	0.000	1	108.3040	0.000	1	109.0889	0.455	57	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(NH3)(H)2	C(CCHN)(CHHN)(NH3)(H)	H(CCHN)	C(CCHN)(NH3)(H)2	C(CCHN)(CHHN)(NH3)(H)	H(CCHN)	109.0000	0.034	2	109.0000	0.001	2	109.0889	0.455	57	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NH3)(H)	H(CCHN)	C(CCHN)(NH3)(H)2	C(CHHN)(CH3)(NH3)(H)	H(CCHN)	109.1067	0.685	54	109.1067	0.469	54	109.0889	0.455	57	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(NCCH)(H)2	C(CHHN)(NCCH)(CH3)(H)	H(CCHN)	C(CCHN)(NCCH)(H)2	C(CHHN)(NCCH)(CH3)(H)	H(CCHN)	108.2795	0.015	2	108.2795	0.000	2	109.0540	0.627	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(NCCV)(H)2	C(CHHN)(NCCV)(CH3)(H)	H(CCHN)	C(CCHN)(NCCV)(H)2	C(CHHN)(NCCV)(CH3)(H)	H(CCHN)	109.3550	0.020	2	109.3550	0.000	2	109.0540	0.627	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(NHHV)(H)2	C(CHHN)(NHHV)(CH3)(H)	H(CCHN)	C(CCHN)(NHHV)(H)2	C(CHHN)(NHHV)(CH3)(H)	H(CCHN)	109.2908	0.964	4	109.2908	0.929	4	109.0540	0.627	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(NC3)(H)2	C(C[4]C[4]2H)(CHHN)(CH3)(H)	H(CCHN)	C(CC[4]CH)(NC3)(H)2	C(C[4]C[4]2H)(CHHN)(CH3)(H)	H(CCHN)	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(NCuCC)(H)2	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	H(CCHN)	C(CC[6]CH)(NCuCC)(H)2	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	H(CCHN)	106.1099	6.308	8	106.1099	39.797	8	106.1099	39.797	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(NCuCH)(H)2	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	H(CCHN)	C(CN[6]CH)(NCuCH)(H)2	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	H(CCHN)	109.4420	0.567	2	109.4420	0.322	2	109.4420	0.322	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:P-4:F-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(PO3)(F)(H)	C(CCHH)(CFHP)(NH3)(H)	H(CCFP)	C(CCHN)(PO3)(F)(H)	C(CCHH)(CFHP)(NH3)(H)	H(CCFP)	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(PC3)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(CCCH)(PC3)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	107.6835	0.040	2	107.6835	0.002	2	108.0009	0.056	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(PCSS)(H)2	C(CCHH)(CHHP)(CH3)(H)	H(CCHP)	C(CCCH)(PCSS)(H)2	C(CCHH)(CHHP)(CH3)(H)	H(CCHP)	107.9578	0.129	9	107.9578	0.017	9	108.0009	0.056	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(PCSS)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(CCCH)(PCSS)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	108.0154	0.295	10	108.0154	0.087	10	108.0009	0.056	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(PO3)(H)2	C(CCHH)(CCHN)(CHHP)(H)	H(CCHP)	C(CCCH)(PO3)(H)2	C(CCHH)(CCHN)(CHHP)(H)	H(CCHP)	108.2202	0.047	4	108.2202	0.002	4	108.0009	0.056	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(O)	H(CCHP)	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(O)	H(CCHP)	109.6650	2.107	2	109.6650	4.440	2	109.6650	4.440	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:P-4:H-1:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C-4:	C(CC[5]C[6]H)(PC[6a]2Rh)(H)2	C(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	H(CCHP)	C(CC[5]C[6]H)(PC[6a]2Rh)(H)2	C(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	H(CCHP)	109.6180	0.051	2	109.6180	0.003	2	109.6180	0.003	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SiC3)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	H(CSiCH)	C(CCCH)(SiC3)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	H(CSiCH)	107.2885	0.192	2	107.2885	0.037	2	107.4896	0.371	50	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SiC3)(H)2	C(CC[6a]HO)(CSiHH)(CCHO)(H)	H(CSiCH)	C(CCCH)(SiC3)(H)2	C(CC[6a]HO)(CSiHH)(CCHO)(H)	H(CSiCH)	107.6245	1.177	2	107.6245	1.386	2	107.4896	0.371	50	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SiC3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	H(CSiCH)	C(CCCH)(SiC3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	H(CSiCH)	107.3790	1.183	4	107.3790	1.400	4	107.4896	0.371	50	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SiC3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	H(CSiCH)	C(CCCH)(SiC3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	H(CSiCH)	107.3315	0.019	2	107.3315	0.000	2	107.4896	0.371	50	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	C(CCCH)(SiO3)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	107.5119	0.562	40	107.5119	0.316	40	107.4896	0.371	50	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CC[3,5]HH)(CCCO)(CCHH)(H)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CC[3,5]HH)(CCCO)(CCHH)(H)	H(CC[3,5]CH)	109.6118	0.137	8	109.6118	0.019	8	109.6118	0.019	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3,5]-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	H(CC[3,5]CH)	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	H(CC[3,5]CH)	108.3223	0.122	3	108.3223	0.015	3	108.3223	0.015	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C(CC[3,6]HH)(CCHH)(CH3)(H)	H(CC[3,6]CH)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C(CC[3,6]HH)(CCHH)(CH3)(H)	H(CC[3,6]CH)	107.8280	0.239	3	107.8280	0.057	3	107.8280	0.057	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	H(CC[3]CH)	108.7445	0.021	2	108.7445	0.000	2	108.7445	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	106.9365	0.006	2	106.9365	0.000	2	107.3487	0.132	13	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	107.6232	0.219	4	107.6232	0.048	4	107.3487	0.132	13	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	106.9260	0.056	3	106.9260	0.003	3	107.3487	0.132	13	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	H(CC[3]CH)	107.5973	0.047	4	107.5973	0.002	4	107.3487	0.132	13	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCCH)(H)2	C(CC[3x6]HH)(CH3)2(H)	H(CC[3x6]CH)	C(C[3x6]C[6,6]3)(CCCH)(H)2	C(CC[3x6]HH)(CH3)2(H)	H(CC[3x6]CH)	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	C(CC[4,5]HH)(CH3)2(H)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	C(CC[4,5]HH)(CH3)2(H)	H(CC[4,5]CH)	108.3090	0.034	2	108.3090	0.001	2	108.6232	1.180	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[4,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	C(CC[4,5]HH)(CH3)2(H)	H(CC[4,5]CH)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	C(CC[4,5]HH)(CH3)2(H)	H(CC[4,5]CH)	108.7802	1.367	4	108.7802	1.868	4	108.6232	1.180	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(C[4]C[4]2Cl)(CClCC)(H)2	C(CC[4]HH)(CCHH)(CH3)(Cl)	H(CC[4]CH)	C(C[4]C[4]2Cl)(CClCC)(H)2	C(CC[4]HH)(CCHH)(CH3)(Cl)	H(CC[4]CH)	107.2930	0.136	4	107.2930	0.018	4	107.2930	0.018	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4]C[4]2C)(CCCH)(H)2	C(CC[4]HH)(CH3)2(H)	H(CC[4]CH)	C(C[4]C[4]2C)(CCCH)(H)2	C(CC[4]HH)(CH3)2(H)	H(CC[4]CH)	108.0520	0.000	1	108.0520	0.000	1	107.8769	0.272	11	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4]C[4]2N)(CCCH)(H)2	C(CC[4]HH)(CH3)2(H)	H(CC[4]CH)	C(C[4]C[4]2N)(CCCH)(H)2	C(CC[4]HH)(CH3)2(H)	H(CC[4]CH)	107.6922	0.326	6	107.6922	0.106	6	107.8769	0.272	11	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCCH)(H)2	C(CC[4]HH)(CH3)2(H)	H(CC[4]CH)	C(C[4]C[4]N[4]H)(CCCH)(H)2	C(CC[4]HH)(CH3)2(H)	H(CC[4]CH)	108.1103	0.761	4	108.1103	0.579	4	107.8769	0.272	11	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	H(CC[5,5]CH)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	H(CC[5,5]CH)	106.1615	1.095	2	106.1615	1.200	2	107.3899	0.769	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	C(CC[5,5]HH)(CH3)2(H)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	C(CC[5,5]HH)(CH3)2(H)	H(CC[5,5]CH)	107.6980	0.114	4	107.6980	0.013	4	107.3899	0.769	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C(CC[5,5]HH)(CH3)2(H)	H(CC[5,5]CH)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C(CC[5,5]HH)(CH3)2(H)	H(CC[5,5]CH)	108.0020	0.018	2	108.0020	0.000	2	107.3899	0.769	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C(CC[5,6]HH)(CH3)2(H)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C(CC[5,6]HH)(CH3)2(H)	H(CC[5,6]CH)	107.4145	0.015	2	107.4145	0.000	2	107.7198	0.124	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C(CC[5,6]HH)(CH3)2(H)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C(CC[5,6]HH)(CH3)2(H)	H(CC[5,6]CH)	108.0250	0.004	2	108.0250	0.000	2	107.7198	0.124	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C(CC[5]HH)(CF3)2(F)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C(CC[5]HH)(CF3)2(F)	H(CC[5]CH)	107.7555	0.033	2	107.7555	0.001	2	107.7555	0.001	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.2600	0.059	2	108.2600	0.004	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.8080	0.045	2	108.8080	0.002	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.3865	0.021	2	108.3865	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.1480	0.048	2	108.1480	0.002	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CC[5]CH)	108.0975	0.025	2	108.0975	0.001	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.3550	0.008	2	108.3550	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.2903	0.268	24	108.2903	0.072	24	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(CC[5]HH)(CCHH)2(H)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(CC[5]HH)(CCHH)2(H)	H(CC[5]CH)	108.0587	0.067	3	108.0587	0.005	3	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	H(CC[5]CH)	108.4465	0.029	2	108.4465	0.001	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.1565	0.035	2	108.1565	0.001	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.5625	0.272	4	108.5625	0.074	4	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(H)2	C(CC[5]HH)(CCCO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCH)(H)2	C(CC[5]HH)(CCCO)(CCHH)(H)	H(CC[5]CH)	108.4705	0.029	2	108.4705	0.001	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	107.9925	0.477	2	107.9925	0.228	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Ir)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]2Ir)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.6530	0.013	2	108.6530	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2N)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]2N)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	107.7147	0.021	3	107.7147	0.000	3	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Rh)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.8050	0.016	2	108.8050	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.0765	0.515	8	108.0765	0.266	8	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.4608	0.376	51	108.4608	0.141	51	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]O)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	107.5995	0.087	6	107.5995	0.008	6	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	107.7235	0.012	2	107.7235	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CCCH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CCCH)(CH3)(H)	H(CC[5]CH)	108.2525	0.028	2	108.2525	0.001	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CCCO)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CCCO)(CH3)(H)	H(CC[5]CH)	108.0150	0.020	2	108.0150	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.6080	0.007	2	108.6080	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.3775	0.039	2	108.3775	0.002	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.1530	0.007	2	108.1530	0.000	2	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.5210	0.007	4	108.5210	0.000	4	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]O[5]2C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	C(C[5]O[5]2C)(CCCH)(H)2	C(CC[5]HH)(CH3)2(H)	H(CC[5]CH)	108.0815	0.179	4	108.0815	0.032	4	108.3082	0.145	143	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C-4:P-4:P-4:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C(CC[5]HH)(PO3)2(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C(CC[5]HH)(PO3)2(H)	H(CC[5]CH)	107.9725	0.078	2	107.9725	0.006	2	107.9725	0.006	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.9895	0.006	2	107.9895	0.000	2	108.0618	0.009	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.1340	0.081	2	108.1340	0.006	2	108.0618	0.009	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2O)(CC[3]CH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[3]CH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	H(CC[5]CH)	108.5708	0.199	8	108.5708	0.039	8	108.5708	0.039	8	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.6463	0.264	6	108.6463	0.069	6	108.6612	0.049	12	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.6760	0.194	6	108.6760	0.038	6	108.6612	0.049	12	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.3517	0.462	3	107.3517	0.214	3	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	109.0820	0.067	4	109.0820	0.005	4	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.8070	0.680	2	107.8070	0.463	2	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.8085	0.062	2	108.8085	0.004	2	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.4140	0.014	2	108.4140	0.000	2	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.5345	0.012	2	108.5345	0.000	2	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.9029	0.425	19	107.9029	0.181	19	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	108.3825	0.015	2	108.3825	0.000	2	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	H(CC[5]CH)	109.0230	0.049	2	109.0230	0.002	2	108.1705	0.375	38	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.9730	0.067	3	107.9730	0.005	3	108.0173	0.228	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.6340	0.000	1	107.6340	0.000	1	108.0173	0.228	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	H(CC[5]CH)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	H(CC[5]CH)	108.4450	0.386	4	108.4450	0.149	4	108.0173	0.228	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	H(CC[5]CH)	107.4200	0.021	2	107.4200	0.000	2	108.0173	0.228	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	S-4:S-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	C(SC[6a]OO)2(CC[5]HH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	C(SC[6a]OO)2(CC[5]HH)(H)	H(CC[5]CH)	109.1315	0.022	2	109.1315	0.000	2	108.8648	0.095	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	S-4:S-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C(SC[6a]OO)2(CC[5]HH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C(SC[6a]OO)2(CC[5]HH)(H)	H(CC[5]CH)	108.5980	0.008	2	108.5980	0.000	2	108.8648	0.095	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]CH)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	H(CC[6]CH)	108.3547	0.141	4	108.3547	0.020	4	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	108.3719	0.226	24	108.3719	0.051	24	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	108.2625	0.009	2	108.2625	0.000	2	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2C)(CCCH)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CCCH)(H)2	C(CC[6]HH)(CCHH)2(H)	H(CC[6]CH)	107.7765	0.009	2	107.7765	0.000	2	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2C)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	107.8270	0.000	1	107.8270	0.000	1	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	107.8830	0.008	2	107.8830	0.000	2	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	108.5419	0.638	36	108.5419	0.407	36	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CCHN)(CH3)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CCHN)(CH3)(H)	H(CC[6]CH)	108.3456	0.261	5	108.3456	0.068	5	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	109.0597	1.314	4	109.0597	1.725	4	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	H(CC[6]CH)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	H(CC[6]CH)	108.4550	0.047	2	108.4550	0.002	2	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	H(CC[6]CH)	107.9998	0.207	6	107.9998	0.043	6	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CC[6]HH)(CH3)2(H)	H(CC[6]CH)	107.6880	0.033	2	107.6880	0.001	2	108.3975	0.307	90	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	H(CC[6]CH)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	H(CC[6]CH)	107.7680	0.020	2	107.7680	0.000	2	108.0563	0.058	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	H(CC[6]CH)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	H(CC[6]CH)	108.2005	0.116	4	108.2005	0.013	4	108.0563	0.058	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	H(CC[6]CH)	106.9165	0.839	2	106.9165	0.704	2	106.9165	0.704	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	S-4:S-4:C-4:H-1:	C-4:	C(C[6]C[6]2C)(CHSS)(H)2	C(SC[6a]OO)2(CC[6]HH)(H)	H(CC[6]CH)	C(C[6]C[6]2C)(CHSS)(H)2	C(SC[6a]OO)2(CC[6]HH)(H)	H(CC[6]CH)	108.3415	0.071	2	108.3415	0.005	2	108.3813	0.007	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	S-4:S-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CHSS)(H)2	C(SC[6a]OO)2(CC[6]HH)(H)	H(CC[6]CH)	C(C[6]C[6]2H)(CHSS)(H)2	C(SC[6a]OO)2(CC[6]HH)(H)	H(CC[6]CH)	108.4610	0.000	1	108.4610	0.000	1	108.3813	0.007	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:O-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	106.7650	1.300	3	106.7650	1.690	3	106.7650	1.690	3	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	Ge-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(GeGeCC)(CCCH)(H)2	C(CGeHH)(CH3)2(H)	H(CGeCH)	C(GeGeCC)(CCCH)(H)2	C(CGeHH)(CH3)2(H)	H(CGeCH)	107.7426	0.603	12	107.7426	0.364	12	107.7426	0.364	12	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	In[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(In[6]N[6]O[6]C)(CCCH)(H)2	C(CIn[6]HH)(CH3)2(H)	H(CIn[6]CH)	C(In[6]N[6]O[6]C)(CCCH)(H)2	C(CIn[6]HH)(CH3)2(H)	H(CIn[6]CH)	108.1958	0.637	9	108.1958	0.406	9	108.1958	0.406	9	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6]CuH)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NC[6]CuH)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.5300	0.307	6	108.5300	0.094	6	108.4237	0.576	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCoCH)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CCHN)	C(NCoCH)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	H(CCHN)	108.7740	0.025	2	108.7740	0.001	2	108.4237	0.576	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCuCH)(CCCH)(H)2	C(CCHH)(CHHN)2(H)	H(CCHN)	C(NCuCH)(CCCH)(H)2	C(CCHH)(CHHN)2(H)	H(CCHN)	109.5780	1.077	4	109.5780	1.160	4	108.4237	0.576	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCuCH)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NCuCH)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	108.2947	0.023	3	108.2947	0.001	3	108.4237	0.576	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NFeCC)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NFeCC)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	107.7440	0.161	4	107.7440	0.026	4	108.4237	0.576	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NPdCH)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	C(NPdCH)(CCCH)(H)2	C(CHHN)(CH3)2(H)	H(CCHN)	107.9970	0.538	4	107.9970	0.289	4	108.4237	0.576	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NZnCC)(CCCH)(H)2	C(CCCO)(CHHN)(CH3)(H)	H(CCHN)	C(NZnCC)(CCCH)(H)2	C(CCCO)(CHHN)(CH3)(H)	H(CCHN)	107.8520	0.062	2	107.8520	0.004	2	108.4237	0.576	25	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(NZnHH)(CCHN)(H)2	C(CC[6a]HH)(NZnHH)(CHHN)(H)	H(CCHN)	C(NZnHH)(CCHN)(H)2	C(CC[6a]HH)(NZnHH)(CHHN)(H)	H(CCHN)	109.3295	0.026	2	109.3295	0.001	2	109.3295	0.001	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	C-4:P-4:P-4:H-1:	C-4:	C(NPtCH)(CHPP)(H)2	C(CHHN)(PO3)2(H)	H(CCHN)	C(NPtCH)(CHPP)(H)2	C(CHHN)(PO3)2(H)	H(CCHN)	108.4640	0.018	2	108.4640	0.000	2	108.4640	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NCoHH)(CCHN)(H)2	C(NCoHH)(CHHN)(CH3)(H)	H(CCHN)	C(NCoHH)(CCHN)(H)2	C(NCoHH)(CHHN)(CH3)(H)	H(CCHN)	109.7040	0.462	6	109.7040	0.213	6	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NCuCC)(CCHN)(H)2	C(NCuCH)(CHHN)(CH3)(H)	H(CCHN)	C(NCuCC)(CCHN)(H)2	C(NCuCH)(CHHN)(CH3)(H)	H(CCHN)	109.7065	0.036	2	109.7065	0.001	2	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NCuCH)(CCHN)(H)2	C(NCuCH)(CHHN)(CH3)(H)	H(CCHN)	C(NCuCH)(CCHN)(H)2	C(NCuCH)(CHHN)(CH3)(H)	H(CCHN)	109.7345	0.022	2	109.7345	0.000	2	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NCuHH)(CCHN)(H)2	C(NCuHH)(CHHN)(CH3)(H)	H(CCHN)	C(NCuHH)(CCHN)(H)2	C(NCuHH)(CHHN)(CH3)(H)	H(CCHN)	109.6841	0.678	19	109.6841	0.460	19	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NLiCC)(CCHN)(H)2	C(NLi2C)(CCCH)(CHHN)(H)	H(CCHN)	C(NLiCC)(CCHN)(H)2	C(NLi2C)(CCCH)(CHHN)(H)	H(CCHN)	108.8145	0.030	2	108.8145	0.001	2	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NMnCC)(CCHN)(H)2	C(NMnCC)(CHHN)(CH3)(H)	H(CCHN)	C(NMnCC)(CCHN)(H)2	C(NMnCC)(CHHN)(CH3)(H)	H(CCHN)	109.3195	0.005	2	109.3195	0.000	2	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NMnHH)(CCHN)(H)2	C(NMnHH)(CHHN)(CH3)(H)	H(CCHN)	C(NMnHH)(CCHN)(H)2	C(NMnHH)(CHHN)(CH3)(H)	H(CCHN)	109.5807	0.162	6	109.5807	0.026	6	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NNiCH)(CCHN)(H)2	C(NNiCH)(CHHN)(CH3)(H)	H(CCHN)	C(NNiCH)(CCHN)(H)2	C(NNiCH)(CHHN)(CH3)(H)	H(CCHN)	109.6783	0.043	4	109.6783	0.002	4	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NNiHH)(CCHN)(H)2	C(NNiHH)(CHHN)(CH3)(H)	H(CCHN)	C(NNiHH)(CCHN)(H)2	C(NNiHH)(CHHN)(CH3)(H)	H(CCHN)	109.3847	1.071	33	109.3847	1.146	33	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NZnHH)(CCHN)(H)2	C(NZnHH)(CHHN)(CH3)(H)	H(CCHN)	C(NZnHH)(CCHN)(H)2	C(NZnHH)(CHHN)(CH3)(H)	H(CCHN)	109.3658	0.248	6	109.3658	0.061	6	109.5056	0.608	82	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	C(CN[5,5]HH)(CH3)2(H)	H(CN[5,5]CH)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	C(CN[5,5]HH)(CH3)2(H)	H(CN[5,5]CH)	108.1390	0.000	1	108.1390	0.000	1	108.1390	0.000	1	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:C-4:H-1:H-1:	B-4:C-4:C-4:H-1:	C-4:	C(N[6]C[6]2H)(CBCH)(H)2	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	H(CN[6]CH)	C(N[6]C[6]2H)(CBCH)(H)2	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	H(CN[6]CH)	108.0885	0.026	2	108.0885	0.001	2	108.0885	0.001	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	As-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Pd)(CAsCH)(H)2	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]2Pd)(CAsCH)(H)2	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHP)	108.8930	0.154	4	108.8930	0.024	4	108.8930	0.024	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	108.0885	0.028	2	108.0885	0.001	2	107.6181	0.885	14	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]Pt2)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(PC[6a]Pt2)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	106.3420	0.872	4	106.3420	0.760	4	107.6181	0.885	14	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]PtO)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(PC[6a]PtO)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	108.3750	0.000	1	108.3750	0.000	1	107.6181	0.885	14	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PCoCC)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(PCoCC)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	108.1049	0.076	7	108.1049	0.006	7	107.6181	0.885	14	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(PC[6a]2O)(CCHN)(H)2	C(CHHP)(CC3)(NH3)(H)	H(CCHP)	C(PC[6a]2O)(CCHN)(H)2	C(CHHP)(CC3)(NH3)(H)	H(CCHP)	108.6220	0.008	2	108.6220	0.000	2	108.6220	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:	C(PRuCC)(CCHP)(H)2	C(CRuHH)(CHHP)(PC3)(H)	H(CCHP)	C(PRuCC)(CCHP)(H)2	C(CRuHH)(CHHP)(PC3)(H)	H(CCHP)	110.2370	0.018	2	110.2370	0.000	2	110.2370	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Ru)(CCHN)(H)2	C(NRuHH)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]2Ru)(CCHN)(H)2	C(NRuHH)(CHHP)(CH3)(H)	H(CCHP)	109.6103	0.503	4	109.6103	0.253	4	109.6103	0.253	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Fe)(CCHP)(H)2	C(PC[6a]2Fe)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]2Fe)(CCHP)(H)2	C(PC[6a]2Fe)(CHHP)(CH3)(H)	H(CCHP)	109.5352	0.415	28	109.5352	0.172	28	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Ir)(CCHP)(H)2	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	H(CCHP)	C(PC[6a]2Ir)(CCHP)(H)2	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	H(CCHP)	110.3920	0.059	2	110.3920	0.004	2	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Ir)(CCHP)(H)2	C(PC[6a]2Ir)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]2Ir)(CCHP)(H)2	C(PC[6a]2Ir)(CHHP)(CH3)(H)	H(CCHP)	109.5590	0.337	6	109.5590	0.114	6	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Pd)(CCHP)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCHP)	C(PC[6a]2Pd)(CCHP)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	H(CCHP)	109.7853	0.312	8	109.7853	0.098	8	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Pd)(CCHP)(H)2	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	H(CCHP)	C(PC[6a]2Pd)(CCHP)(H)2	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	H(CCHP)	109.4237	0.247	4	109.4237	0.061	4	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Pd)(CCHP)(H)2	C(PC[6a]PdC)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]2Pd)(CCHP)(H)2	C(PC[6a]PdC)(CHHP)(CH3)(H)	H(CCHP)	109.7486	0.091	5	109.7486	0.008	5	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Rh)(CCHP)(H)2	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	H(CCHP)	C(PC[6a]2Rh)(CCHP)(H)2	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	H(CCHP)	110.2370	0.040	2	110.2370	0.002	2	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Rh)(CCHP)(H)2	C(PC[6a]2Rh)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]2Rh)(CCHP)(H)2	C(PC[6a]2Rh)(CHHP)(CH3)(H)	H(CCHP)	109.1295	0.139	6	109.1295	0.019	6	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Ru)(CCHP)(H)2	C(PC[6a]2Ru)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]2Ru)(CCHP)(H)2	C(PC[6a]2Ru)(CHHP)(CH3)(H)	H(CCHP)	109.0225	0.388	16	109.0225	0.151	16	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]PdC)(CCHP)(H)2	C(PC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHP)	C(PC[6a]PdC)(CCHP)(H)2	C(PC[6a]2Pd)(CHHP)(CH3)(H)	H(CCHP)	109.3287	0.038	12	109.3287	0.001	12	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PIrCC)(CCHP)(H)2	C(PC[6a]2C)(CIrHH)(CHHP)(H)	H(CCHP)	C(PIrCC)(CCHP)(H)2	C(PC[6a]2C)(CIrHH)(CHHP)(H)	H(CCHP)	109.9575	0.042	2	109.9575	0.002	2	109.4650	0.193	91	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:P-4:C-4:H-1:	C-4:	C(PC[6a]2O)(CHPP)(H)2	C(PC[6a]2O)2(CHHP)(H)	H(CCHP)	C(PC[6a]2O)(CHPP)(H)2	C(PC[6a]2O)2(CHHP)(H)	H(CCHP)	108.9417	0.213	8	108.9417	0.045	8	109.2409	0.433	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P-4:C-4:H-1:H-1:	P-4:P-4:C-4:H-1:	C-4:	C(PC[6a]2Ru)(CHPP)(H)2	C(PC[6a]2Ru)2(CHHP)(H)	H(CCHP)	C(PC[6a]2Ru)(CHPP)(H)2	C(PC[6a]2Ru)2(CHHP)(H)	H(CCHP)	110.4375	0.021	2	110.4375	0.000	2	109.2409	0.433	10	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(P[4]S[4]2C)(CCCH)(H)2	C(CP[4]HH)(CH3)2(H)	H(CP[4]CH)	C(P[4]S[4]2C)(CCCH)(H)2	C(CP[4]HH)(CH3)2(H)	H(CP[4]CH)	107.9013	0.310	4	107.9013	0.096	4	107.9013	0.096	4	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	C(CP[6,6]HH)(CH3)2(H)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	C(CP[6,6]HH)(CH3)2(H)	H(CP[6,6]CH)	108.4065	0.029	2	108.4065	0.001	2	108.1262	0.042	9	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	C(CP[6,6]HH)(CH3)2(H)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	C(CP[6,6]HH)(CH3)2(H)	H(CP[6,6]CH)	108.2620	0.062	2	108.2620	0.004	2	108.1262	0.042	9	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	C(CP[6,6]HH)(CH3)2(H)	H(CP[6,6]CH)	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	C(CP[6,6]HH)(CH3)2(H)	H(CP[6,6]CH)	107.9598	0.024	5	107.9598	0.001	5	108.1262	0.042	9	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	P[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	C(CP[6]HH)(CH3)2(H)	H(CP[6]CH)	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	C(CP[6]HH)(CH3)2(H)	H(CP[6]CH)	107.8650	0.017	2	107.8650	0.000	2	107.8650	0.000	2	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	H(CCHS)	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	H(CCHS)	109.0805	0.019	2	109.0805	0.000	2	108.9412	0.188	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	H(CCHS)	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	H(CCHS)	109.3405	0.008	2	109.3405	0.000	2	108.9412	0.188	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	S-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	H(CCHS)	C(SC[6a]OO)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	H(CCHS)	108.4025	0.016	2	108.4025	0.000	2	108.9412	0.188	6	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	H(CSiCH)	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	H(CSiCH)	107.6740	0.007	2	107.6740	0.000	2	107.7450	0.502	28	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	107.8286	0.691	13	107.8286	0.477	13	107.7450	0.502	28	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SiCOO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	C(SiCOO)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	107.9795	0.301	11	107.9795	0.091	11	107.7450	0.502	28	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:1:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SiC[6a]3)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	C(SiC[6a]3)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	105.9825	0.015	2	105.9825	0.000	2	107.7450	0.502	28	108.4068	0.845	4977	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	As-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(AsC3)(COPP)(H)2	C(CAsHH)(PO3)2(OH)	H(CAsCH)	C(AsC3)(COPP)(H)2	C(CAsHH)(PO3)2(OH)	H(CAsCH)	108.3640	0.008	2	108.3640	0.000	2	108.3640	0.000	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CH3)2(OC)	H(CBrCC)	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CH3)2(OC)	H(CBrCC)	107.1230	0.000	1	107.1230	0.000	1	107.3240	0.046	3	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(Br)(H)	C(CBrCH)(CH3)2(OC)	H(CBrCC)	C(CC[6a]HH)(CCCO)(Br)(H)	C(CBrCH)(CH3)2(OC)	H(CBrCC)	107.4245	0.177	2	107.4245	0.032	2	107.3240	0.046	3	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(CN)	H(CCCH)	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(CN)	H(CCCH)	107.6517	0.063	3	107.6517	0.004	3	108.0171	0.131	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(CC)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(CC)	H(CCCH)	108.0230	0.540	4	108.0230	0.292	4	108.0171	0.131	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CN)	H(CCCH)	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CN)	H(CCCH)	108.0930	0.033	2	108.0930	0.001	2	108.0171	0.131	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(CCHH)(CH3)2(CN)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(CCHH)(CH3)2(CN)	H(CCCH)	108.4335	0.008	2	108.4335	0.000	2	108.0171	0.131	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(CCHH)2(CH3)(CN)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(CCHH)2(CH3)(CN)	H(CCCH)	108.0390	0.255	4	108.0390	0.065	4	108.0171	0.131	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NC)	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NC)	H(CCCH)	106.4338	0.287	4	106.4338	0.083	4	107.0786	1.064	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NS)	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NS)	H(CCCH)	106.1400	0.752	4	106.1400	0.565	4	107.0786	1.064	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)2(NCr)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)2(NCr)	H(CCCH)	108.1172	0.052	4	108.1172	0.003	4	107.0786	1.064	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)(CF3)(NC)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)(CF3)(NC)	H(CCCH)	108.1680	0.052	2	108.1680	0.003	2	107.0786	1.064	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	H(CCCH)	107.7705	0.018	2	107.7705	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OC)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OC)	H(CCCH)	108.3250	0.062	4	108.3250	0.004	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCH)(CCCO)(H)2	C(CCHH)2(CH3)(OH)	H(CCCH)	C(CCCH)(CCCO)(H)2	C(CCHH)2(CH3)(OH)	H(CCCH)	107.5815	0.028	2	107.5815	0.001	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	H(CCCH)	108.5730	0.065	2	108.5730	0.004	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)2(OC)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)2(OC)	H(CCCH)	108.3360	0.227	4	108.3360	0.051	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	109.0730	0.000	1	109.0730	0.000	1	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(OH)	H(CCCH)	107.9514	0.330	7	107.9514	0.109	7	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	H(CCCH)	107.6503	0.906	6	107.6503	0.821	6	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	108.0838	0.293	11	108.0838	0.086	11	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CF3)2(OH)	H(CCCH)	108.1865	0.211	4	108.1865	0.045	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OC)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OC)	H(CCCH)	108.3197	0.317	4	108.3197	0.100	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OH)	H(CCCH)	108.5137	0.475	15	108.5137	0.225	15	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OC)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OC)	H(CCCH)	108.5587	0.323	12	108.5587	0.104	12	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OH)	H(CCCH)	108.3720	0.034	2	108.3720	0.001	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)2(CHHO)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)2(CHHO)(OH)	H(CCCH)	108.4855	0.011	2	108.4855	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CCHH)3(OC)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CCHH)3(OC)	H(CCCH)	108.4289	0.201	10	108.4289	0.040	10	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CCCH)	108.1843	0.058	3	108.1843	0.003	3	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(OH)	H(CCCH)	108.0505	0.342	6	108.0505	0.117	6	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CCCH)	108.5267	0.340	3	108.5267	0.115	3	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCCH)	108.3315	0.042	2	108.3315	0.002	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(H)2	C(CC[6a]HO)(CCCO)(CCHH)(OH)	H(CCCH)	C(CCCO)(CCHH)(H)2	C(CC[6a]HO)(CCCO)(CCHH)(OH)	H(CCCH)	107.3193	0.043	3	107.3193	0.002	3	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHN)(H)2	C(CCHH)(CF3)2(OCu)	H(CCCH)	C(CCCO)(CCHN)(H)2	C(CCHH)(CF3)2(OCu)	H(CCCH)	108.5155	0.005	2	108.5155	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(OC)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(OC)	H(CCCH)	109.5730	0.008	2	109.5730	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)(H)2	C(CCHH)3(OC)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CCHH)3(OC)	H(CCCH)	108.5540	0.168	6	108.5540	0.028	6	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)(H)2	C(CCHH)3(OH)	H(CCCH)	C(CCCO)(CH3)(H)2	C(CCHH)3(OH)	H(CCCH)	108.4305	0.139	19	108.4305	0.019	19	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CHHN)(H)2	C(CCHH)(CH3)2(OC)	H(CCCH)	C(CCCO)(CHHN)(H)2	C(CCHH)(CH3)2(OC)	H(CCCH)	108.6100	0.017	2	108.6100	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CHHS)(H)2	C(CCHH)(CH3)2(OSi)	H(CCCH)	C(CCCO)(CHHS)(H)2	C(CCHH)(CH3)2(OSi)	H(CCCH)	109.0315	0.075	4	109.0315	0.006	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CHOO)(H)2	C(CCHH)(CF3)2(OC)	H(CCCH)	C(CCCO)(CHOO)(H)2	C(CCHH)(CF3)2(OC)	H(CCCH)	107.5850	0.691	3	107.5850	0.478	3	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[3]HH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCCH)	108.2382	0.154	4	108.2382	0.024	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[3]HH)(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	H(CCCH)	107.2825	0.011	2	107.2825	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CCCH)	107.2890	0.000	1	107.2890	0.000	1	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCHH)(CH3)(OH)	H(CCCH)	108.5810	0.023	2	108.5810	0.001	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[5]HH)(CCCO)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	C(CC[5]HH)(CCCO)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	107.7020	0.044	2	107.7020	0.002	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[5]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCCH)	108.0070	0.013	2	108.0070	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6]CH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	C(CC[6]CH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	107.4410	0.034	2	107.4410	0.001	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	H(CCCH)	108.3125	0.037	2	108.3125	0.001	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	107.7110	0.093	4	107.7110	0.009	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[6]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	H(CCCH)	108.0117	0.007	3	108.0117	0.000	3	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]CH)(CCCO)(H)2	C(CCHH)(CHHS)(CH3)(OC)	H(CCCH)	C(CC[6a]CH)(CCCO)(H)2	C(CCHH)(CHHS)(CH3)(OC)	H(CCCH)	108.0435	0.033	2	108.0435	0.001	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCH)(CCHH)2(OH)	H(CCCH)	107.6535	0.008	2	107.6535	0.000	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	H(CCCH)	108.5948	0.063	4	108.5948	0.004	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	H(CCCH)	108.3332	0.252	4	108.3332	0.064	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(H)2	C(CN[5a]HH)(CCHH)(CC3)(OH)	H(CCCH)	C(CC[6a]HH)(CCCO)(H)2	C(CN[5a]HH)(CCHH)(CC3)(OH)	H(CCCH)	107.7020	0.027	2	107.7020	0.001	2	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CClCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCCH)	C(CClCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(OH)	H(CCCH)	108.0825	0.087	4	108.0825	0.008	4	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CRhCH)(CCCO)(H)2	C(CCHH)(CH3)2(ORh)	H(CCCH)	C(CRhCH)(CCCO)(H)2	C(CCHH)(CH3)2(ORh)	H(CCCH)	109.3870	0.000	1	109.3870	0.000	1	108.2545	0.233	186	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:Si-4:O-2:	C-4:	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(SiC3)(OH)	H(CCCH)	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(SiC3)(OH)	H(CCCH)	108.2375	0.094	2	108.2375	0.009	2	108.2375	0.009	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OH)	H(CCCH)	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OH)	H(CCCH)	108.2868	0.243	23	108.2868	0.059	23	108.2987	1.895	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OMo)	H(CCCH)	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OMo)	H(CCCH)	108.1262	0.466	4	108.1262	0.218	4	108.2987	1.895	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(CHHN)(COPP)(H)2	C(CCHH)(PO3)2(OH)	H(CCCH)	C(CHHN)(COPP)(H)2	C(CCHH)(PO3)2(OH)	H(CCCH)	108.5977	5.310	3	108.5977	28.197	3	108.2987	1.895	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(CN[6]HH)(COPP)(H)2	C(CCHH)(PO3)2(OH)	H(CCCH)	C(CN[6]HH)(COPP)(H)2	C(CCHH)(PO3)2(OH)	H(CCCH)	108.3315	0.008	2	108.3315	0.000	2	108.2987	1.895	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:N-2:	C-4:	C(CC[3]HH)(CC[4]CN)(H)2	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	H(CCCH)	C(CC[3]HH)(CC[4]CN)(H)2	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	H(CCCH)	107.8160	0.020	2	107.8160	0.000	2	107.8160	0.000	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:	C(CC[5,5,6]CO)(CCHH)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5,5,6]CO)(CCHH)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	H(CCCH)	108.0217	0.138	10	108.0217	0.019	10	108.0058	0.017	12	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	H(CCCH)	107.9265	0.011	2	107.9265	0.000	2	108.0058	0.017	12	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:C-4:O-2:	C-4:	C(CC[5,5]CO)(CC[5]HH)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5,5]CO)(CC[5]HH)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	H(CCCH)	107.8145	0.016	2	107.8145	0.000	2	107.8145	0.000	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:C-4:N-2:	C-4:	C(CC[5,6]CN)(CF3)(H)2	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	H(CCCH)	C(CC[5,6]CN)(CF3)(H)2	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	H(CCCH)	108.0160	0.107	2	108.0160	0.012	2	108.0160	0.012	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:	C(CC[5]CN)(CF3)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	H(CCCH)	C(CC[5]CN)(CF3)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	H(CCCH)	107.9335	0.032	2	107.9335	0.001	2	107.9335	0.001	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	108.1118	0.148	4	108.1118	0.022	4	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[4,5]HO)(CC[5]CO)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[4,5]HO)(CC[5]CO)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	H(CCCH)	107.1960	0.038	2	107.1960	0.001	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[4]HH)(CC[5]CO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[4]HH)(CC[5]CO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(CCCH)	107.6000	0.017	2	107.6000	0.000	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCCH)	108.1335	0.358	4	108.1335	0.128	4	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	H(CCCH)	107.6200	0.421	11	107.6200	0.178	11	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	H(CCCH)	108.3685	0.067	2	108.3685	0.005	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	107.9000	0.014	2	107.9000	0.000	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	H(CCCH)	107.5028	0.032	6	107.5028	0.001	6	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(CCCH)	107.0755	0.043	2	107.0755	0.002	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	H(CCCH)	107.3095	0.032	2	107.3095	0.001	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	H(CCCH)	108.4695	0.349	4	108.4695	0.122	4	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	107.5635	0.019	2	107.5635	0.000	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	H(CCCH)	108.1377	0.014	3	108.1377	0.000	3	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	H(CCCH)	107.7100	0.000	1	107.7100	0.000	1	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CC[5]HO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	H(CCCH)	108.0560	0.000	1	108.0560	0.000	1	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	H(CCCH)	106.6395	0.015	2	106.6395	0.000	2	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(OC)	H(CCCH)	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(OC)	H(CCCH)	108.3167	0.336	4	108.3167	0.113	4	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)2(OH)	H(CCCH)	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)2(OH)	H(CCCH)	108.4048	0.033	4	108.4048	0.001	4	107.8287	0.266	58	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:N-2:	C-4:	C(CC[6]CN)(CF3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	H(CCCH)	C(CC[6]CN)(CF3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	H(CCCH)	107.9290	0.021	2	107.9290	0.000	2	107.9290	0.000	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	H(CCCH)	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	H(CCCH)	106.6975	1.426	2	106.6975	2.034	2	107.4970	1.042	5	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	H(CCCH)	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	H(CCCH)	108.0300	0.028	3	108.0300	0.001	3	107.4970	1.042	5	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:O-2:	C-4:	C(CCCH)(CCOP)(H)2	C(PC[6a]OO)(CCHH)(CH3)(OH)	H(CCCH)	C(CCCH)(CCOP)(H)2	C(PC[6a]OO)(CCHH)(CH3)(OH)	H(CCCH)	107.9878	0.468	4	107.9878	0.219	4	107.9878	0.219	4	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NCCH)(H)2	C(CHHN)(CF3)2(OH)	H(CCHN)	C(CCCO)(NCCH)(H)2	C(CHHN)(CF3)2(OH)	H(CCHN)	109.1310	0.190	2	109.1310	0.036	2	109.1310	0.036	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(OH)	H(CCHP)	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(OH)	H(CCHP)	107.1475	0.100	4	107.1475	0.010	4	107.4212	0.181	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(PCCN)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	C(CCCO)(PCCN)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	107.4525	0.076	2	107.4525	0.006	2	107.4212	0.181	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(PCCS)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	C(CCCO)(PCCS)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	107.0730	0.096	4	107.0730	0.009	4	107.4212	0.181	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(PCOW)(H)2	C(CHHP)(CF3)2(OH)	H(CCHP)	C(CCCO)(PCOW)(H)2	C(CHHP)(CF3)2(OH)	H(CCHP)	108.0275	0.104	4	108.0275	0.011	4	107.4212	0.181	14	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:P-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:	C(COPP)(PC3)(H)2	C(CHHP)(PO3)2(OH)	H(CCHP)	C(COPP)(PC3)(H)2	C(CHHP)(PO3)2(OH)	H(CCHP)	112.9760	0.099	2	112.9760	0.010	2	112.9760	0.010	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(SiC3)(H)2	C(CFeCC)2(CSiHH)(OH)	H(CSiCH)	C(CCCO)(SiC3)(H)2	C(CFeCC)2(CSiHH)(OH)	H(CSiCH)	110.1365	2.358	2	110.1365	5.561	2	110.1365	5.561	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[3]C[3]2H)(CC3)(H)2	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	H(CC[3]CH)	C(C[3]C[3]2H)(CC3)(H)2	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	H(CC[3]CH)	108.6813	0.103	6	108.6813	0.011	6	108.6813	0.011	6	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[3]C[3]O[3]H)(CCCO)(H)2	C(CC[3]HH)(CCHO)(CH3)(OC)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CCCO)(H)2	C(CC[3]HH)(CCHO)(CH3)(OC)	H(CC[3]CH)	106.4635	0.042	4	106.4635	0.002	4	106.4635	0.002	4	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[3]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	H(CC[3]CH)	108.4140	0.045	2	108.4140	0.002	2	108.4140	0.002	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	H(CC[5,5]CH)	106.2970	0.013	2	106.2970	0.000	2	106.2970	0.000	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C(CC[5,6]HH)(CF3)2(OH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C(CC[5,6]HH)(CF3)2(OH)	H(CC[5,6]CH)	107.4442	1.376	8	107.4442	1.892	8	107.4442	1.892	8	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC[5]HH)(CH3)2(CN)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC[5]HH)(CH3)2(CN)	H(CC[5]CH)	106.9020	0.018	2	106.9020	0.000	2	107.7703	0.235	10	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	H(CC[5]CH)	107.9330	0.180	6	107.9330	0.032	6	107.7703	0.235	10	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CN)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CN)	H(CC[5]CH)	108.1505	0.019	2	108.1505	0.000	2	107.7703	0.235	10	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	C(CC[5]HH)(CH3)2(OC)	H(CC[5]CH)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	C(CC[5]HH)(CH3)2(OC)	H(CC[5]CH)	108.1365	0.108	2	108.1365	0.012	2	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C(CC[5]HH)(CCHO)(CH3)(OH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C(CC[5]HH)(CCHO)(CH3)(OH)	H(CC[5]CH)	107.8280	0.051	2	107.8280	0.003	2	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]2H)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC[5]CH)	108.6455	0.044	4	108.6455	0.002	4	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]2H)(CCCO)(H)2	C(CC[5]HH)(CCHH)(CH3)(OH)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CC[5]HH)(CCHH)(CH3)(OH)	H(CC[5]CH)	108.5710	0.014	2	108.5710	0.000	2	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC[5]CH)	107.5950	0.068	2	107.5950	0.005	2	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]C)(CCCO)(H)2	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCCO)(H)2	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	H(CC[5]CH)	106.5250	0.193	4	106.5250	0.037	4	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CC[5]HH)(CCHO)(CH3)(OC)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CC[5]HH)(CCHO)(CH3)(OC)	H(CC[5]CH)	109.5580	0.027	2	109.5580	0.001	2	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	H(CC[5]CH)	107.6814	0.247	14	107.6814	0.061	14	107.8624	0.582	32	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	H(CC[5]CH)	106.7340	0.010	2	106.7340	0.000	2	107.4595	0.704	4	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5]CO)(H)2	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	H(CC[5]CH)	108.1850	0.081	2	108.1850	0.006	2	107.4595	0.704	4	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C(CC[6]HH)(CH3)2(CN)	H(CC[6]CH)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C(CC[6]HH)(CH3)2(CN)	H(CC[6]CH)	107.8730	0.004	2	107.8730	0.000	2	107.8730	0.000	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	C(CC[6]HH)(CH3)2(OO)	H(CC[6]CH)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	C(CC[6]HH)(CH3)2(OO)	H(CC[6]CH)	107.7370	0.000	1	107.7370	0.000	1	107.3512	0.405	5	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C(CC[6]HH)(CCl2H)(CH3)(OC)	H(CC[6]CH)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C(CC[6]HH)(CCl2H)(CH3)(OC)	H(CC[6]CH)	107.8530	0.010	2	107.8530	0.000	2	107.3512	0.405	5	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C(CC[6]HH)(CH3)2(OH)	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C(CC[6]HH)(CH3)2(OH)	H(CC[6]CH)	106.6565	0.022	2	106.6565	0.000	2	107.3512	0.405	5	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NAlCC)(CCCO)(H)2	C(CHHN)(CH3)2(OAl)	H(CCHN)	C(NAlCC)(CCCO)(H)2	C(CHHN)(CH3)2(OAl)	H(CCHN)	109.2086	0.326	10	109.2086	0.106	10	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCoCH)(CCCO)(H)2	C(CHHN)3(OH)	H(CCHN)	C(NCoCH)(CCCO)(H)2	C(CHHN)3(OH)	H(CCHN)	108.9514	0.089	5	108.9514	0.008	5	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NCuCH)(CCCO)(H)2	C(CHHN)(CF3)2(OCu)	H(CCHN)	C(NCuCH)(CCCO)(H)2	C(CHHN)(CF3)2(OCu)	H(CCHN)	109.7478	0.041	5	109.7478	0.002	5	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NMgCC)(CCCO)(H)2	C(CHHN)(CF3)2(OMg)	H(CCHN)	C(NMgCC)(CCCO)(H)2	C(CHHN)(CF3)2(OMg)	H(CCHN)	109.2155	0.013	2	109.2155	0.000	2	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NRuCH)(CCCO)(H)2	C(CHHN)(CF3)2(ORu)	H(CCHN)	C(NRuCH)(CCCO)(H)2	C(CHHN)(CF3)2(ORu)	H(CCHN)	109.5965	0.028	2	109.5965	0.001	2	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NRuHH)(CCCO)(H)2	C(CHHN)(CF3)2(ORu)	H(CCHN)	C(NRuHH)(CCCO)(H)2	C(CHHN)(CF3)2(ORu)	H(CCHN)	109.8650	0.045	4	109.8650	0.002	4	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NSnCC)(CCCO)(H)2	C(CHHN)(CH3)2(OSn)	H(CCHN)	C(NSnCC)(CCCO)(H)2	C(CHHN)(CH3)2(OSn)	H(CCHN)	108.9465	0.259	126	108.9465	0.067	126	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NSnCH)(CCCO)(H)2	C(CHHN)3(OSn)	H(CCHN)	C(NSnCH)(CCCO)(H)2	C(CHHN)3(OSn)	H(CCHN)	109.7258	0.065	4	109.7258	0.004	4	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(NSrCC)(CCCO)(H)2	C(CHHN)(CF3)2(OSr)	H(CCHN)	C(NSrCC)(CCCO)(H)2	C(CHHN)(CF3)2(OSr)	H(CCHN)	108.8160	0.025	2	108.8160	0.001	2	109.0404	0.118	160	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NC[6]CuH)(CCCS)(H)2	C(CHHN)(CH3)2(SCu)	H(CCHN)	C(NC[6]CuH)(CCCS)(H)2	C(CHHN)(CH3)2(SCu)	H(CCHN)	104.8025	3.723	2	104.8025	13.860	2	108.2420	1.045	43	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NCoCC)(CCCS)(H)2	C(CHHN)(CH3)2(SCo)	H(CCHN)	C(NCoCC)(CCCS)(H)2	C(CHHN)(CH3)2(SCo)	H(CCHN)	108.4042	0.072	4	108.4042	0.005	4	108.2420	1.045	43	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NFeCC)(CCCS)(H)2	C(CHHN)(CH3)2(SFe)	H(CCHN)	C(NFeCC)(CCCS)(H)2	C(CHHN)(CH3)2(SFe)	H(CCHN)	108.2103	0.110	4	108.2103	0.012	4	108.2420	1.045	43	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NNiCC)(CCCS)(H)2	C(CHHN)(CH3)2(SNi)	H(CCHN)	C(NNiCC)(CCCS)(H)2	C(CHHN)(CH3)2(SNi)	H(CCHN)	108.6872	0.077	13	108.6872	0.006	13	108.2420	1.045	43	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NNiCH)(CCCS)(H)2	C(CHHN)(CH3)2(SNi)	H(CCHN)	C(NNiCH)(CCCS)(H)2	C(CHHN)(CH3)2(SNi)	H(CCHN)	109.4460	0.027	2	109.4460	0.001	2	108.2420	1.045	43	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NRuCC)(CCCS)(H)2	C(CHHN)(CH3)2(SRu)	H(CCHN)	C(NRuCC)(CCCS)(H)2	C(CHHN)(CH3)2(SRu)	H(CCHN)	108.0610	0.170	5	108.0610	0.029	5	108.2420	1.045	43	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NZnCC)(CCCS)(H)2	C(CHHN)(CH3)2(SZn)	H(CCHN)	C(NZnCC)(CCCS)(H)2	C(CHHN)(CH3)2(SZn)	H(CCHN)	108.1703	0.166	13	108.1703	0.028	13	108.2420	1.045	43	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2Al)(CCCO)(H)2	C(CN[5]HH)(CF3)2(OAl)	H(CN[5]CH)	C(N[5]C[5]2Al)(CCCO)(H)2	C(CN[5]HH)(CF3)2(OAl)	H(CN[5]CH)	109.7735	0.022	2	109.7735	0.000	2	109.7735	0.000	2	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(PC[6a]2Ir)(CCCO)(H)2	C(CHHP)(CF3)2(OIr)	H(CCHP)	C(PC[6a]2Ir)(CCCO)(H)2	C(CHHP)(CF3)2(OIr)	H(CCHP)	109.4507	0.036	6	109.4507	0.001	6	109.2760	0.087	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(PC[6a]2Pt)(CCCO)(H)2	C(CHHP)(CF3)2(OPt)	H(CCHP)	C(PC[6a]2Pt)(CCCO)(H)2	C(CHHP)(CF3)2(OPt)	H(CCHP)	109.7360	0.034	2	109.7360	0.001	2	109.2760	0.087	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(PPtCC)(CCCO)(H)2	C(CHHP)(CF3)2(OPt)	H(CCHP)	C(PPtCC)(CCCO)(H)2	C(CHHP)(CF3)2(OPt)	H(CCHP)	109.0830	0.000	1	109.0830	0.000	1	109.2760	0.087	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:2:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(PSnCC)(CCCO)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	C(PSnCC)(CCCO)(H)2	C(CHHP)(CF3)2(OSn)	H(CCHP)	108.9802	0.086	6	108.9802	0.007	6	109.2760	0.087	15	108.3290	0.769	658	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	108.0758	0.325	9	108.0758	0.105	9	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHN)(CHN)	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CHHN)(CHN)	H(CCCH)	108.2933	0.119	3	108.2933	0.014	3	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CC[6]HH)(CCHH)2(COO)	H(CCCH)	C(CC3)(CH3)(H)2	C(CC[6]HH)(CCHH)2(COO)	H(CCCH)	108.6445	0.011	2	108.6445	0.000	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	H(CCCH)	C(CC3)(CH3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	H(CCCH)	108.3075	0.030	2	108.3075	0.001	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CCCH)	C(CC3)(CH3)(H)2	C(CC[6a]HN)(CCHH)(CH3)(CNO)	H(CCCH)	108.6790	0.031	4	108.6790	0.001	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CH3)(H)2	C(CPdHH)(CCHH)2(CNO)	H(CCCH)	C(CC3)(CH3)(H)2	C(CPdHH)(CCHH)2(CNO)	H(CCCH)	108.6453	0.039	4	108.6453	0.002	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)2(H)2	C(CCHH)2(CH3)(CNO)	H(CCCH)	C(CC3)2(H)2	C(CCHH)2(CH3)(CNO)	H(CCCH)	106.5840	0.051	2	106.5840	0.003	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)2(CNO)	H(CCCH)	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)2(CNO)	H(CCCH)	107.3655	0.028	4	107.3655	0.001	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CCHN)(CH3)(CCH)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CCHN)(CH3)(CCH)	H(CCCH)	108.0940	0.420	4	108.0940	0.176	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)2(CCC)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)2(CCC)	H(CCCH)	107.4875	1.116	20	107.4875	1.246	20	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	H(CCCH)	108.1715	0.026	4	108.1715	0.001	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	H(CCCH)	108.4964	0.375	11	108.4964	0.141	11	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	H(CCCH)	108.3517	0.218	4	108.3517	0.047	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCCH)	108.3790	0.030	2	108.3790	0.001	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)2(COO)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)2(COO)	H(CCCH)	108.5985	0.016	2	108.5985	0.000	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6]HO)(CCHH)2(CCS)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6]HO)(CCHH)2(CCS)	H(CCCH)	109.4190	1.330	4	109.4190	1.769	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)(CH3)(CCH)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)(CH3)(CCH)	H(CCCH)	107.9325	0.224	4	107.9325	0.050	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	H(CCCH)	107.6740	0.021	2	107.6740	0.000	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCH)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCH)	H(CCCH)	105.4910	1.191	2	105.4910	1.418	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCS)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCS)	H(CCCH)	107.8610	0.010	4	107.8610	0.000	4	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHO)(CC3)(H)2	C(CCHH)(CH3)2(CNO)	H(CCCH)	C(CCHO)(CC3)(H)2	C(CCHH)(CH3)2(CNO)	H(CCCH)	108.1750	0.007	2	108.1750	0.000	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[3]HH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	H(CCCH)	C(CC[3]HH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	H(CCCH)	108.2006	0.105	7	108.2006	0.011	7	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[5,5]HH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCCH)	C(CC[5,5]HH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCCH)	107.7470	0.033	2	107.7470	0.001	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[5]HH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCCH)	C(CC[5]HH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CCCH)	107.9550	0.038	2	107.9550	0.001	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[6]HO)(CC3)(H)2	C(CCHH)(CCHO)(CH3)(CCH)	H(CCCH)	C(CC[6]HO)(CC3)(H)2	C(CCHH)(CCHO)(CH3)(CCH)	H(CCCH)	106.6304	1.652	14	106.6304	2.730	14	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[6a]CH)(CC3)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	C(CC[6a]CH)(CC3)(H)2	C(CCHH)(CH3)2(COO)	H(CCCH)	108.2190	0.016	2	108.2190	0.000	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CHHO)(CC3)(H)2	C(CCHH)(CC3)(CH3)(CCH)	H(CCCH)	C(CHHO)(CC3)(H)2	C(CCHH)(CC3)(CH3)(CCH)	H(CCCH)	109.1715	0.019	2	109.1715	0.000	2	107.8949	1.125	124	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	106.3266	0.158	7	106.3266	0.025	7	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHH)	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHH)	H(CCCH)	106.4485	0.026	2	106.4485	0.001	2	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHS)	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHS)	H(CCCH)	106.7500	0.383	4	106.7500	0.147	4	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCHH)(H)2	C(CCHH)3(NHH)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCHH)3(NHH)	H(CCCH)	108.4453	0.116	4	108.4453	0.014	4	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)2(NCC)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)2(NCC)	H(CCCH)	107.9667	0.205	3	107.9667	0.042	3	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	107.7778	0.947	34	107.7778	0.897	34	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NHS)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NHS)	H(CCCH)	108.8840	0.030	2	108.8840	0.001	2	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCCO)(CCHH)(CCHO)(NHS)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCCO)(CCHH)(CCHO)(NHS)	H(CCCH)	107.8670	0.021	2	107.8670	0.000	2	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NOO)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NOO)	H(CCCH)	108.3420	0.042	2	108.3420	0.002	2	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)(CHHO)2(NNiC)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)(CHHO)2(NNiC)	H(CCCH)	108.1410	0.094	4	108.1410	0.009	4	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CC[6a]HH)(CCCN)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCHH)(CH3)2(NCH)	H(CCCH)	108.4720	0.023	2	108.4720	0.001	2	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CC[6a]HH)(CCCN)(H)2	C(CCHH)2(CH3)(NCH)	H(CCCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCHH)2(CH3)(NCH)	H(CCCH)	108.3280	0.067	3	108.3280	0.004	3	107.6955	0.879	69	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(COO)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(COO)	H(CCCH)	108.7165	0.005	2	108.7165	0.000	2	108.7165	0.000	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:N-3:	C-4:	C(CCHH)(CCNP)(H)2	C(CCHH)(CH3)(PO3)(NOO)	H(CCCH)	C(CCHH)(CCNP)(H)2	C(CCHH)(CH3)(PO3)(NOO)	H(CCCH)	109.0135	0.049	2	109.0135	0.002	2	108.9348	0.009	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:N-3:	C-4:	C(CCHH)(CCNP)(H)2	C(CCHH)2(PO3)(NOO)	H(CCCH)	C(CCHH)(CCNP)(H)2	C(CCHH)2(PO3)(NOO)	H(CCCH)	108.9520	0.049	2	108.9520	0.002	2	108.9348	0.009	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:N-3:	C-4:	C(CCNP)(CH3)(H)2	C(CCHH)2(PO3)(NOO)	H(CCCH)	C(CCNP)(CH3)(H)2	C(CCHH)2(PO3)(NOO)	H(CCCH)	108.8390	0.095	2	108.8390	0.009	2	108.9348	0.009	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:N-3:	C-4:	C(CNPP)(CH3)(H)2	C(CCHH)(PO3)2(NCH)	H(CCCH)	C(CNPP)(CH3)(H)2	C(CCHH)(PO3)2(NCH)	H(CCCH)	108.2870	0.023	2	108.2870	0.001	2	108.2870	0.001	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:C-3:	C-4:	C(CC[3,5]CC)(CF3)(H)2	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	H(CCCH)	C(CC[3,5]CC)(CF3)(H)2	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	H(CCCH)	107.9845	0.006	2	107.9845	0.000	2	107.9845	0.000	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:C-4:C-3:	C-4:	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	H(CCCH)	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	H(CCCH)	108.3335	0.011	2	108.3335	0.000	2	108.3335	0.000	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-3:	C-4:	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(CHH)	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(CHH)	H(CCCH)	106.2010	2.737	2	106.2010	7.488	2	106.2010	7.488	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:N-3:	C-4:	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	H(CCCH)	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	H(CCCH)	108.5940	0.020	2	108.5940	0.000	2	108.7963	0.094	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:N-3:	C-4:	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)2(NOO)	H(CCCH)	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)2(NOO)	H(CCCH)	108.8975	0.339	4	108.8975	0.115	4	108.7963	0.094	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NCH)	H(CCHN)	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NCH)	H(CCHN)	108.7700	0.031	2	108.7700	0.001	2	108.9468	0.042	4	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NHH)	H(CCHN)	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NHH)	H(CCHN)	109.1235	0.016	2	109.1235	0.000	2	108.9468	0.042	4	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:O-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(ONi3)(H)2	C(CHHO)3(NNiH)	H(CCHO)	C(CCCN)(ONi3)(H)2	C(CHHO)3(NNiH)	H(CCHO)	109.3265	0.008	2	109.3265	0.000	2	109.3265	0.000	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:S-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(SO3)(H)2	C(CHHS)(CH3)2(NCH)	H(CCHS)	C(CCCN)(SO3)(H)2	C(CHHS)(CH3)2(NCH)	H(CCHS)	107.4882	0.101	6	107.4882	0.010	6	107.4882	0.010	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:Si-4:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(NH3)(COO)	H(CSiCH)	C(CCCN)(SiC3)(H)2	C(CSiHH)(CH3)(NH3)(COO)	H(CSiCH)	106.7422	0.127	6	106.7422	0.016	6	106.7422	0.016	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:Si-4:H-1:H-1:	C-4:N-4:C-4:C-3:	C-4:	C(CCCN)(SiC3)(H)2	C(CSiHH)(NRhHH)(CH3)(COO)	H(CSiCH)	C(CCCN)(SiC3)(H)2	C(CSiHH)(NRhHH)(CH3)(COO)	H(CSiCH)	106.2820	0.023	2	106.2820	0.001	2	106.2820	0.001	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[3]C[3]O[3]H)(CC3)(H)2	C(CC[3]HH)(CH3)2(CCH)	H(CC[3]CH)	C(C[3]C[3]O[3]H)(CC3)(H)2	C(CC[3]HH)(CH3)2(CCH)	H(CC[3]CH)	109.0515	0.029	2	109.0515	0.001	2	109.0515	0.001	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CC[5]CH)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CC[5]CH)	108.2990	0.028	2	108.2990	0.001	2	108.3337	0.049	7	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC[5]HH)(CH3)2(COO)	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC[5]HH)(CH3)2(COO)	H(CC[5]CH)	108.7550	0.000	1	108.7550	0.000	1	108.3337	0.049	7	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CC[5]CH)	108.3855	0.045	2	108.3855	0.002	2	108.3337	0.049	7	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[5]C[5]O[5]O)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	H(CC[5]CH)	108.1060	0.006	2	108.1060	0.000	2	108.3337	0.049	7	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[5]C[5]N[5]H)(CCCN)(H)2	C(CC[5]HH)(CH3)2(NCH)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCN)(H)2	C(CC[5]HH)(CH3)2(NCH)	H(CC[5]CH)	108.0815	0.011	2	108.0815	0.000	2	108.0815	0.000	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C(CC[6]HH)(CCHH)2(COO)	H(CC[6]CH)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C(CC[6]HH)(CCHH)2(COO)	H(CC[6]CH)	108.7825	0.036	2	108.7825	0.001	2	108.7825	0.001	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NCHH)(CC3)(H)2	C(CCHH)2(CHHN)(CHN)	H(CCHN)	C(NCHH)(CC3)(H)2	C(CCHH)2(CHHN)(CHN)	H(CCHN)	108.2535	0.040	2	108.2535	0.002	2	108.6511	0.087	18	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)2(CHN)	H(CCHN)	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)2(CHN)	H(CCHN)	108.6400	0.004	2	108.6400	0.000	2	108.6511	0.087	18	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NCoCH)(CC3)(H)2	C(CHHN)2(CH3)(COO)	H(CCHN)	C(NCoCH)(CC3)(H)2	C(CHHN)2(CH3)(COO)	H(CCHN)	108.8808	0.176	8	108.8808	0.031	8	108.6511	0.087	18	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NCoHH)(CC3)(H)2	C(CHHN)(CHHS)(CH3)(CHN)	H(CCHN)	C(NCoHH)(CC3)(H)2	C(CHHN)(CHHS)(CH3)(CHN)	H(CCHN)	108.6960	0.065	2	108.6960	0.004	2	108.6511	0.087	18	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(NCuCH)(CC3)(H)2	C(CHHN)2(CH3)(COO)	H(CCHN)	C(NCuCH)(CC3)(H)2	C(CHHN)2(CH3)(COO)	H(CCHN)	108.3735	0.256	4	108.3735	0.066	4	108.6511	0.087	18	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NCH)	H(CCHN)	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NCH)	H(CCHN)	109.3160	0.215	4	109.3160	0.046	4	108.3231	4.484	37	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NHH)	H(CCHN)	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NHH)	H(CCHN)	109.4180	0.022	4	109.4180	0.000	4	108.3231	4.484	37	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NCN)	H(CCHN)	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NCN)	H(CCHN)	103.6076	4.115	4	103.6076	16.933	4	108.3231	4.484	37	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NOO)	H(CCHN)	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NOO)	H(CCHN)	109.3612	0.073	11	109.3612	0.005	11	108.3231	4.484	37	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NCuCH)(CCCN)(H)2	C(CCHH)(CHHN)2(NOO)	H(CCHN)	C(NCuCH)(CCCN)(H)2	C(CCHH)(CHHN)2(NOO)	H(CCHN)	108.5957	0.070	3	108.5957	0.005	3	108.3231	4.484	37	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(NPdCH)(CCCN)(H)2	C(CHHN)2(CH3)(NOO)	H(CCHN)	C(NPdCH)(CCCN)(H)2	C(CHHN)2(CH3)(NOO)	H(CCHN)	108.1662	0.199	11	108.1662	0.040	11	108.3231	4.484	37	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-3:	C-4:	C(NZnCC)(CCCO)(H)2	C(CHHN)3(OZn2)	H(CCHN)	C(NZnCC)(CCCO)(H)2	C(CHHN)3(OZn2)	H(CCHN)	108.9322	0.036	8	108.9322	0.001	8	108.9322	0.001	8	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(OCuMo2)(CCCN)(H)2	C(CHHO)3(NHH)	H(CCHO)	C(OCuMo2)(CCCN)(H)2	C(CHHO)3(NHH)	H(CCHO)	108.3805	0.093	6	108.3805	0.009	6	108.3805	0.009	6	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)2(CH3)(CHP)	H(CCHP)	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)2(CH3)(CHP)	H(CCHP)	108.4043	0.076	3	108.4043	0.006	3	108.4043	0.006	3	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:3:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(SC[6a]OO)(CC3)(H)2	C(CC[6a]HO)(CHHS)(CH3)(CCH)	H(CCHS)	C(SC[6a]OO)(CC3)(H)2	C(CC[6a]HO)(CHHS)(CH3)(CCH)	H(CCHS)	110.0015	0.581	2	110.0015	0.337	2	110.0015	0.337	2	108.0391	1.403	322	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsC[6a]CoC)(CC3)(H)2	C(CAsHH)2(CClHH)(CH3)	H(CAsCH)	C(AsC[6a]CoC)(CC3)(H)2	C(CAsHH)2(CClHH)(CH3)	H(CAsCH)	106.9410	0.186	3	106.9410	0.034	3	106.9315	0.118	8	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	As-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(AsGaCC)(CC3)(H)2	C(CAsHH)3(CH3)	H(CAsCH)	C(AsGaCC)(CC3)(H)2	C(CAsHH)3(CH3)	H(CAsCH)	106.9258	0.436	5	106.9258	0.190	5	106.9315	0.118	8	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(BC[5]HH)(CC3)(H)2	C(CBHH)(CH3)3	H(CBCH)	C(BC[5]HH)(CC3)(H)2	C(CBHH)(CH3)3	H(CBCH)	107.8980	0.034	2	107.8980	0.001	2	105.1727	12.120	6	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(BC[6a]3)(CC3)(H)2	C(CBHH)(CH3)3	H(CBCH)	C(BC[6a]3)(CC3)(H)2	C(CBHH)(CH3)3	H(CBCH)	103.8100	3.574	4	103.8100	12.772	4	105.1727	12.120	6	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(CC3)(Cl)(H)	C(CClCH)(CH3)3	H(CClCC)	C(CHHO)(CC3)(Cl)(H)	C(CClCH)(CH3)3	H(CClCC)	107.6867	0.969	3	107.6867	0.938	3	107.6867	0.938	3	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CAl2C)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CAl2C)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.8415	0.026	2	107.8415	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CB[5]CH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CB[5]CH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.1388	0.184	4	108.1388	0.034	4	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)(CH3)3	H(CCCH)	109.8314	0.756	5	109.8314	0.572	5	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)(CHHN)3	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)(CHHN)3	H(CCCH)	106.1405	1.056	2	106.1405	1.115	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)(CHHO)3	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)(CHHO)3	H(CCCH)	107.2539	1.533	11	107.2539	2.351	11	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)(CHHP)3	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)(CHHP)3	H(CCCH)	108.0650	0.008	2	108.0650	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CCHN)(CH3)	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CCHN)(CH3)	H(CCCH)	108.1906	0.137	8	108.1906	0.019	8	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CCHO)(CH3)	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CCHO)(CH3)	H(CCCH)	108.3810	0.069	2	108.3810	0.005	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	108.3439	0.199	20	108.3439	0.040	20	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHP)2	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CHHP)2	H(CCCH)	108.3595	0.047	2	108.3595	0.002	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHS)2	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)2(CHHS)2	H(CCCH)	107.8353	0.115	4	107.8353	0.013	4	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(H)2	C(CCHH)3(CCHN)	H(CCCH)	C(CC3)(CH3)(H)2	C(CCHH)3(CCHN)	H(CCCH)	108.0246	0.342	5	108.0246	0.117	5	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)2(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC3)2(H)2	C(CCHH)(CH3)3	H(CCCH)	106.5885	0.018	2	106.5885	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.7578	0.293	13	107.7578	0.086	13	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.3018	0.388	57	106.3018	0.150	57	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CBrCH)(CCHH)(CH3)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CBrCH)(CCHH)(CH3)2	H(CCCH)	107.8965	0.321	4	107.8965	0.103	4	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CCCH)2(CCHH)(CH3)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCCH)2(CCHH)(CH3)	H(CCCH)	107.9925	0.010	4	107.9925	0.000	4	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	H(CCCH)	108.0990	1.164	2	108.0990	1.355	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.8870	0.018	2	107.8870	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCCH)	108.0250	0.028	2	108.0250	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	108.2105	0.023	2	108.2105	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHO)2	H(CCCH)	108.1443	0.182	15	108.1443	0.033	15	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CCHH)3(CH3)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CCHH)3(CH3)	H(CCCH)	107.6900	0.006	2	107.6900	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CC[3]CH)(CCHH)(CH3)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[3]CH)(CCHH)(CH3)2	H(CCCH)	107.7736	0.060	7	107.7736	0.004	7	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CCCH)	107.6450	0.031	2	107.6450	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	H(CCCH)	C(CCHH)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	H(CCCH)	107.5227	0.052	3	107.5227	0.003	3	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)2	C(CPtHH)(CCHH)(CH3)2	H(CCCH)	C(CCHH)(CC3)(H)2	C(CPtHH)(CCHH)(CH3)2	H(CCCH)	108.0485	0.015	2	108.0485	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CCCH)	C(CCHO)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CCCH)	108.3620	1.949	4	108.3620	3.799	4	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)2	H(CCCH)	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)2	H(CCCH)	107.3187	3.150	6	107.3187	9.925	6	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5]CH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[5]CH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.5760	0.000	1	107.5760	0.000	1	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[5a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.3991	0.094	7	106.3991	0.009	7	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]N[6]H)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[5a]N[6]H)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.8630	0.037	2	107.8630	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[6]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	105.9158	0.398	6	105.9158	0.158	6	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]HH)(CC3)(H)2	C(CCHH)3(CH3)	H(CCCH)	C(CC[6]HH)(CC3)(H)2	C(CCHH)3(CH3)	H(CCCH)	107.4565	0.005	2	107.4565	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]HO)(CC3)(H)2	C(CCHH)2(CCHO)(CH3)	H(CCCH)	C(CC[6]HO)(CC3)(H)2	C(CCHH)2(CCHO)(CH3)	H(CCCH)	107.4682	0.204	4	107.4682	0.042	4	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]HS)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[6]HS)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.9100	0.023	2	107.9100	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[6a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.3404	0.267	65	106.3404	0.071	65	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[6a]HN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.3110	0.006	2	107.3110	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CC[6a]HO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.1735	0.042	2	108.1735	0.002	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CHHN)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.8440	1.858	6	107.8440	3.454	6	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CHHN)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	107.9120	0.028	2	107.9120	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CHHO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.9808	0.354	8	107.9808	0.126	8	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CCCH)	C(CHHO)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	H(CCCH)	108.5510	0.014	2	108.5510	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHPS)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CHPS)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	107.7385	0.128	2	107.7385	0.016	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CMoOO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CMoOO)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.7160	0.008	2	108.7160	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[3]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CN[3]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.3500	0.028	2	106.3500	0.001	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5,5]HH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CN[5,5]HH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.7005	0.015	2	108.7005	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CN[5]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.3195	0.006	2	106.3195	0.000	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CN[5a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.6672	0.344	6	106.6672	0.119	6	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[6a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CN[6a]CC)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.3163	0.057	3	106.3163	0.003	3	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CPtCH)(CC3)(H)2	C(CPtHH)(CCHH)(CH3)2	H(CCCH)	C(CPtCH)(CC3)(H)2	C(CPtHH)(CCHH)(CH3)2	H(CCCH)	109.3264	0.039	7	109.3264	0.002	7	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CRhHH)(CC3)(H)2	C(CCHH)(CF3)3	H(CCCH)	C(CRhHH)(CC3)(H)2	C(CCHH)(CF3)3	H(CCCH)	107.7870	0.051	2	107.7870	0.003	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CSiHH)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	C(CSiHH)(CC3)(H)2	C(CCHH)2(CH3)2	H(CCCH)	108.0489	0.132	22	108.0489	0.017	22	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CSi[4a]Si2)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CSi[4a]Si2)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.3320	0.166	5	106.3320	0.027	5	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CSnHH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CSnHH)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	108.3850	0.045	2	108.3850	0.002	2	107.3064	1.224	364	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NH3)	H(CCCH)	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NH3)	H(CCCH)	106.6084	0.134	10	106.6084	0.018	10	107.9232	1.392	30	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)2(NH3)	H(CCCH)	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)2(NH3)	H(CCCH)	108.6085	0.025	2	108.6085	0.001	2	107.9232	1.392	30	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NH3)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NH3)	H(CCCH)	108.3705	0.018	2	108.3705	0.000	2	107.9232	1.392	30	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)2(NH3)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)2(NH3)	H(CCCH)	108.7972	1.174	10	108.7972	1.377	10	107.9232	1.392	30	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NH3)	H(CCCH)	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NH3)	H(CCCH)	108.4925	0.278	4	108.4925	0.077	4	107.9232	1.392	30	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CHHO)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	H(CCCH)	C(CCCN)(CHHO)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	H(CCCH)	107.8565	0.050	2	107.8565	0.003	2	107.9232	1.392	30	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)2	H(CCCH)	108.1485	0.021	2	108.1485	0.000	2	107.7454	0.491	28	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)2	H(CCCH)	107.7144	0.719	26	107.7144	0.517	26	107.7454	0.491	28	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:	C(CCHH)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	H(CCCH)	C(CCHH)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	H(CCCH)	107.7490	0.026	4	107.7490	0.001	4	107.6934	1.486	12	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:	C(CHHP)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	H(CCCH)	C(CHHP)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	H(CCCH)	106.0455	2.986	2	106.0455	8.917	2	107.6934	1.486	12	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:	C(CNPP)(CH3)(H)2	C(CCHH)(NH3)(PO3)2	H(CCCH)	C(CNPP)(CH3)(H)2	C(CCHH)(NH3)(PO3)2	H(CCCH)	108.2057	0.286	6	108.2057	0.082	6	107.6934	1.486	12	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:P-4:C-4:C-4:	C-4:	C(CCCP)(CH3)(H)2	C(CCHH)(PCHH)(CH3)2	H(CCCH)	C(CCCP)(CH3)(H)2	C(CCHH)(PCHH)(CH3)2	H(CCCH)	108.1806	0.064	7	108.1806	0.004	7	108.1806	0.004	7	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:Si-4:C-4:C-4:	C-4:	C(CSiCC)(CCHH)(H)2	C(CCHH)(SiO3)(CH3)2	H(CCCH)	C(CSiCC)(CCHH)(H)2	C(CCHH)(SiO3)(CH3)2	H(CCCH)	107.9444	0.126	8	107.9444	0.016	8	107.9444	0.016	8	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:	C(CC[3]CC)(CF3)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	H(CCCH)	C(CC[3]CC)(CF3)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	H(CCCH)	107.5805	0.080	4	107.5805	0.006	4	107.5805	0.006	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:C-4:C-4:	C-4:	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	H(CCCH)	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	H(CCCH)	108.0965	0.033	2	108.0965	0.001	2	108.0965	0.001	2	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(CCHH)(H)2	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	H(CCCH)	C(CC[4]CC)(CCHH)(H)2	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	H(CCCH)	107.6980	0.071	3	107.6980	0.005	3	107.6980	0.005	3	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:C-4:C-4:	C-4:	C(CC[5,6]CC)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(CCCH)	C(CC[5,6]CC)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	H(CCCH)	107.8754	0.153	9	107.8754	0.023	9	107.8754	0.023	9	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	H(CCCH)	107.4330	0.008	2	107.4330	0.000	2	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	H(CCCH)	107.5435	0.012	2	107.5435	0.000	2	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	H(CCCH)	107.9660	0.000	1	107.9660	0.000	1	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCCH)	108.0206	0.262	10	108.0206	0.068	10	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)2	H(CCCH)	107.5206	1.075	10	107.5206	1.156	10	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(CH3)2	H(CCCH)	108.4305	0.011	2	108.4305	0.000	2	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	H(CCCH)	107.4700	0.000	1	107.4700	0.000	1	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CC[6]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CC[6]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCCH)	108.4393	0.221	4	108.4393	0.049	4	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCCH)	C(CC[5]CC)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	H(CCCH)	108.4130	0.049	4	108.4130	0.002	4	107.9186	0.469	36	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	H(CCCH)	C(CC[5]2C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	H(CCCH)	107.8443	0.185	3	107.8443	0.034	3	108.4600	0.071	24	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Eu)2(CCHH)2	H(CCCH)	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Eu)2(CCHH)2	H(CCCH)	108.6079	0.109	7	108.6079	0.012	7	108.4600	0.071	24	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Mo)2(CCHH)2	H(CCCH)	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Mo)2(CCHH)2	H(CCCH)	108.5179	0.106	14	108.5179	0.011	14	108.4600	0.071	24	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[3]HH)(CC[6]CC)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(CCCH)	C(CC[3]HH)(CC[6]CC)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(CCCH)	107.6519	0.730	8	107.6519	0.533	8	107.9876	23.983	123	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]2H)(CCHH)(CH3)2	H(CCCH)	107.7144	0.524	34	107.7144	0.274	34	107.9876	23.983	123	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	H(CCCH)	108.2935	7.182	57	108.2935	51.584	57	107.9876	23.983	123	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	H(CCCH)	108.2590	0.025	2	108.2590	0.001	2	107.9876	23.983	123	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	H(CCCH)	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	H(CCCH)	107.5302	0.577	20	107.5302	0.332	20	107.9876	23.983	123	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	H(CCCH)	C(CC[6]CC)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	H(CCCH)	109.5630	0.051	2	109.5630	0.003	2	107.9876	23.983	123	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NCoCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCoCH)(CCHH)(CH3)2	H(CCCH)	107.6759	0.681	17	107.6759	0.464	17	107.4771	0.246	201	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)2	H(CCCH)	107.4912	0.151	23	107.4912	0.023	23	107.4771	0.246	201	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)2	H(CCCH)	107.0825	1.479	15	107.0825	2.189	15	107.4771	0.246	201	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NFeCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NFeCH)(CCHH)(CH3)2	H(CCCH)	107.4618	0.161	5	107.4618	0.026	5	107.4771	0.246	201	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)2	H(CCCH)	107.4888	0.229	136	107.4888	0.053	136	107.4771	0.246	201	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(CCHN)(H)2	C(NRhCH)(CCHH)(CH3)2	H(CCCH)	C(CCCN)(CCHN)(H)2	C(NRhCH)(CCHH)(CH3)2	H(CCCH)	107.4840	0.209	3	107.4840	0.044	3	107.4771	0.246	201	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(CCCN)(H)2	C(NPdHH)(CCHH)(CH3)2	H(CCCH)	C(CC[6a]HH)(CCCN)(H)2	C(NPdHH)(CCHH)(CH3)2	H(CCCH)	107.8190	0.007	2	107.8190	0.000	2	107.4771	0.246	201	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:P-4:P-4:	C-4:	C(CHHP)(CNPP)(H)2	C(NNiHH)(CCHH)(PO3)2	H(CCCH)	C(CHHP)(CNPP)(H)2	C(NNiHH)(CCHH)(PO3)2	H(CCCH)	108.1640	0.004	2	108.1640	0.000	2	108.1640	0.000	2	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(CCHH)(H)2	C(PC[6a]ClS)(CCHH)(CH3)2	H(CCCH)	C(CCCP)(CCHH)(H)2	C(PC[6a]ClS)(CCHH)(CH3)2	H(CCCH)	107.4160	1.042	2	107.4160	1.086	2	108.0202	1.638	17	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(CCHH)(H)2	C(PC[6a]PS)(CCHH)(CH3)2	H(CCCH)	C(CCCP)(CCHH)(H)2	C(PC[6a]PS)(CCHH)(CH3)2	H(CCCH)	108.1460	4.818	2	108.1460	23.215	2	108.0202	1.638	17	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)2(CH3)	H(CCCH)	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)2(CH3)	H(CCCH)	108.3644	0.123	5	108.3644	0.015	5	108.0202	1.638	17	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)3	H(CCCH)	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)3	H(CCCH)	107.9248	0.245	8	107.9248	0.060	8	108.0202	1.638	17	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(CCHH)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	H(CCCH)	C(CCCS)(CCHH)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	H(CCCH)	109.1940	6.620	2	109.1940	43.824	2	110.1688	17.352	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(CCCS)(CHHO)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	H(CCCH)	C(CCCS)(CHHO)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	H(CCCH)	111.1435	2.105	2	111.1435	4.431	2	110.1688	17.352	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)(I)	C(CCHI)(CH3)3	H(CCCI)	C(CCHH)(CC3)(H)(I)	C(CCHI)(CH3)3	H(CCCI)	109.4040	3.694	2	109.4040	13.645	2	109.4040	13.645	2	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NH3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(CC3)(NH3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	109.3848	1.715	10	109.3848	2.941	10	109.0754	1.948	16	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(NH3)(H)2	C(CHHN)3(CHHO)	H(CCHN)	C(CC3)(NH3)(H)2	C(CHHN)3(CHHO)	H(CCHN)	108.5598	0.197	6	108.5598	0.039	6	109.0754	1.948	16	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(NCHH)(H)2	C(CCHH)(CHHN)2(NH3)	H(CCHN)	C(CCCN)(NCHH)(H)2	C(CCHH)(CHHN)2(NH3)	H(CCHN)	111.6072	0.610	4	111.6072	0.372	4	109.5083	2.377	13	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NH3)	H(CCHN)	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NH3)	H(CCHN)	108.4614	0.507	7	108.4614	0.257	7	109.5083	2.377	13	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(NH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	H(CCHN)	C(CCCN)(NH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	H(CCHN)	108.9745	0.016	2	108.9745	0.000	2	109.5083	2.377	13	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:S-4:	C-4:	C(CCCS)(NCCH)(H)2	C(CHHN)(CH3)2(SO3)	H(CCHN)	C(CCCS)(NCCH)(H)2	C(CHHN)(CH3)2(SO3)	H(CCHN)	111.9862	1.515	4	111.9862	2.294	4	111.9862	2.294	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(NCoCC)(H)2	C(N[6]C[6]2Co)(CHHN)2(CH3)	H(CCHN)	C(CN[6]CC)(NCoCC)(H)2	C(N[6]C[6]2Co)(CHHN)2(CH3)	H(CCHN)	109.1056	0.275	14	109.1056	0.076	14	109.1110	0.048	26	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(NCuCC)(H)2	C(N[6]C[6]2Cu)(CHHN)2(CH3)	H(CCHN)	C(CN[6]CC)(NCuCC)(H)2	C(N[6]C[6]2Cu)(CHHN)2(CH3)	H(CCHN)	109.1246	0.157	8	109.1246	0.025	8	109.1110	0.048	26	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:N-4:H-1:H-1:	N[6]-4:C-4:C-4:C-4:	C-4:	C(CN[6]CC)(NZnCC)(H)2	C(N[6]C[6]2Zn)(CHHN)2(CH3)	H(CCHN)	C(CN[6]CC)(NZnCC)(H)2	C(N[6]C[6]2Zn)(CHHN)2(CH3)	H(CCHN)	109.1022	0.111	4	109.1022	0.012	4	109.1110	0.048	26	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:O-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(CCCN)(ONi3)(H)2	C(NNiHH)(CHHO)3	H(CCHO)	C(CCCN)(ONi3)(H)2	C(NNiHH)(CHHO)3	H(CCHO)	109.2555	1.311	4	109.2555	1.719	4	109.2555	1.719	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[3]C[3]2H)(CC3)(H)2	C(CC[3]HH)4	H(CC[3]CH)	C(C[3]C[3]2H)(CC3)(H)2	C(CC[3]HH)4	H(CC[3]CH)	108.0406	0.070	7	108.0406	0.005	7	108.0406	0.005	7	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[4]Ge[4]2H)(CC3)(H)2	C(CC[4]HH)(CH3)3	H(CC[4]CH)	C(C[4]Ge[4]2H)(CC3)(H)2	C(CC[4]HH)(CH3)3	H(CC[4]CH)	107.6483	0.089	3	107.6483	0.008	3	107.6483	0.008	3	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	C(CC[5]BrH)(CH3)3	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	C(CC[5]BrH)(CH3)3	H(CC[5]BrC)	105.7020	0.000	1	105.7020	0.000	1	105.7020	0.000	1	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	C(CC[5]ClH)(CH3)3	H(CC[5]ClC)	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	C(CC[5]ClH)(CH3)3	H(CC[5]ClC)	105.9380	0.000	1	105.9380	0.000	1	105.9380	0.000	1	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	108.0459	0.051	8	108.0459	0.003	8	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC[5]HH)(CF3)(CH3)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC[5]HH)(CF3)(CH3)2	H(CC[5]CH)	107.0845	0.125	4	107.0845	0.016	4	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	107.3522	0.626	4	107.3522	0.392	4	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CC[5]CH)	106.9898	0.023	4	106.9898	0.001	4	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	108.1023	0.343	15	108.1023	0.117	15	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	H(CC[5]CH)	107.6252	1.695	4	107.6252	2.874	4	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	106.2432	2.137	5	106.2432	4.566	5	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Os)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	C(C[5]C[5]2Os)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	108.9780	0.117	2	108.9780	0.014	2	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Ru)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	C(C[5]C[5]2Ru)(CC3)(H)2	C(CC[5]HH)(CH3)3	H(CC[5]CH)	107.3370	0.180	14	107.3370	0.032	14	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(CC3)(H)2	C(CC[5a]HH)(CC[5]HH)(CH3)2	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CC3)(H)2	C(CC[5a]HH)(CC[5]HH)(CH3)2	H(CC[5]CH)	106.2155	0.005	2	106.2155	0.000	2	107.5231	0.915	62	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(C[5]C[5]2H)(CCCN)(H)2	C(CC[5]HH)(NCHH)(CH3)2	H(CC[5]CH)	C(C[5]C[5]2H)(CCCN)(H)2	C(CC[5]HH)(NCHH)(CH3)2	H(CC[5]CH)	108.0090	0.085	4	108.0090	0.007	4	108.0090	0.007	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C(CC[5]HI)(CH3)3	H(CC[5]CI)	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C(CC[5]HI)(CH3)3	H(CC[5]CI)	105.4100	0.000	1	105.4100	0.000	1	105.4100	0.000	1	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C(CC[6]HH)(CH3)3	H(CC[6]CH)	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C(CC[6]HH)(CH3)3	H(CC[6]CH)	106.6570	0.007	2	106.6570	0.000	2	106.6570	0.000	2	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NAlCH)(CC3)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHN)	C(NAlCH)(CC3)(H)2	C(CHHN)(CHHO)(CH3)2	H(CCHN)	108.8855	0.013	2	108.8855	0.000	2	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NAlCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NAlCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.2960	0.000	1	108.2960	0.000	1	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.8510	0.200	4	108.8510	0.040	4	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCCH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NCCH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.4535	0.302	4	108.4535	0.091	4	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NCHH)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	107.9637	1.054	3	107.9637	1.111	3	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	110.2593	0.678	4	110.2593	0.460	4	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6]Li2)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6]Li2)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.4220	0.023	2	108.4220	0.001	2	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Al2)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]Al2)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	107.5015	0.043	2	107.5015	0.002	2	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]AlH)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NC[6a]AlH)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	108.3284	0.317	5	108.3284	0.101	5	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Co2)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NC[6a]Co2)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.5582	0.461	10	108.5582	0.212	10	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Fe2)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NC[6a]Fe2)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.2558	0.184	58	108.2558	0.034	58	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NC[6a]Mn2)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NC[6a]Mn2)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.0924	0.253	22	108.0924	0.064	22	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCo2H)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCHN)	C(NCo2H)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	H(CCHN)	108.1100	0.000	1	108.1100	0.000	1	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCoCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.4873	0.391	19	108.4873	0.153	19	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoCH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NCoCH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.3801	0.572	12	108.3801	0.327	12	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoHH)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHN)	C(NCoHH)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	H(CCHN)	108.3630	0.042	2	108.3630	0.002	2	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCoHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.6463	0.215	10	108.6463	0.046	10	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCoHH)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	H(CCHN)	C(NCoHH)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	H(CCHN)	108.9656	0.223	32	108.9656	0.050	32	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NCrHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NCrHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.6895	0.060	4	108.6895	0.004	4	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NFeCC)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NFeCC)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	106.4315	0.113	11	106.4315	0.013	11	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNi2C)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NNi2C)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	107.5530	1.513	3	107.5530	2.289	3	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNiCC)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	C(NNiCC)(CC3)(H)2	C(CHHN)(CH3)3	H(CCHN)	106.7125	0.006	2	106.7125	0.000	2	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNiCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NNiCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.4419	0.136	8	108.4419	0.018	8	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NNiHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NNiHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.5041	0.064	7	108.5041	0.004	7	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NPtHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NPtHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.6032	0.155	9	108.6032	0.024	9	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NReHH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NReHH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.7923	0.118	6	108.7923	0.014	6	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NRuHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NRuHH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.4343	0.164	4	108.4343	0.027	4	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NZnCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	C(NZnCH)(CC3)(H)2	C(CHHN)2(CH3)2	H(CCHN)	108.5818	0.491	26	108.5818	0.241	26	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(NZnCH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	C(NZnCH)(CC3)(H)2	C(CHHN)3(CH3)	H(CCHN)	108.6000	0.943	6	108.6000	0.890	6	108.3995	0.428	279	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NH3)	H(CCHN)	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NH3)	H(CCHN)	108.8471	0.459	7	108.8471	0.211	7	109.4108	2.010	34	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NCHH)	H(CCHN)	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NCHH)	H(CCHN)	109.7374	1.828	19	109.7374	3.340	19	109.4108	2.010	34	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(NNiCH)(CCCN)(H)2	C(CHHN)2(CH3)(NH3)	H(CCHN)	C(NNiCH)(CCCN)(H)2	C(CHHN)2(CH3)(NH3)	H(CCHN)	109.1283	0.069	8	109.1283	0.005	8	109.4108	2.010	34	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NCdCH)(CCCN)(H)2	C(NCdHH)(CHHN)(CH3)2	H(CCHN)	C(NCdCH)(CCCN)(H)2	C(NCdHH)(CHHN)(CH3)2	H(CCHN)	108.5605	0.064	2	108.5605	0.004	2	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NCdCH)(CCCN)(H)2	C(NCdHH)(CHHN)2(CH3)	H(CCHN)	C(NCdCH)(CCCN)(H)2	C(NCdHH)(CHHN)2(CH3)	H(CCHN)	108.9255	0.069	4	108.9255	0.005	4	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NCoCH)(CCCN)(H)2	C(NCoHH)(CHHN)2(CH3)	H(CCHN)	C(NCoCH)(CCCN)(H)2	C(NCoHH)(CHHN)2(CH3)	H(CCHN)	109.9061	0.192	43	109.9061	0.037	43	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NCuCH)(CCCN)(H)2	C(NCuHH)(CHHN)(CH3)2	H(CCHN)	C(NCuCH)(CCCN)(H)2	C(NCuHH)(CHHN)(CH3)2	H(CCHN)	104.8085	2.691	2	104.8085	7.239	2	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NCuCH)(CCCN)(H)2	C(NCuHH)(CHHN)2(CH3)	H(CCHN)	C(NCuCH)(CCCN)(H)2	C(NCuHH)(CHHN)2(CH3)	H(CCHN)	108.7560	0.201	3	108.7560	0.040	3	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NFeCH)(CCCN)(H)2	C(NFeHH)(CHHN)2(CH3)	H(CCHN)	C(NFeCH)(CCCN)(H)2	C(NFeHH)(CHHN)2(CH3)	H(CCHN)	109.2810	1.900	8	109.2810	3.611	8	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NNiCH)(CCCN)(H)2	C(NNiHH)(CHHN)2(CH3)	H(CCHN)	C(NNiCH)(CCCN)(H)2	C(NNiHH)(CHHN)2(CH3)	H(CCHN)	109.5085	0.055	4	109.5085	0.003	4	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:	C(NZnCH)(CCCN)(H)2	C(NZnHH)(CHHN)2(CH3)	H(CCHN)	C(NZnCH)(CCCN)(H)2	C(NZnHH)(CHHN)2(CH3)	H(CCHN)	109.1825	0.163	2	109.1825	0.027	2	109.4900	1.353	68	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(NNiCC)(CCCS)(H)2	C(SNiOO)(CHHN)(CH3)2	H(CCHN)	C(NNiCC)(CCCS)(H)2	C(SNiOO)(CHHN)(CH3)2	H(CCHN)	108.8255	0.016	2	108.8255	0.000	2	108.3840	0.260	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N-4:C-4:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(NRuCC)(CCCS)(H)2	C(SRuOO)(CHHN)(CH3)2	H(CCHN)	C(NRuCC)(CCCS)(H)2	C(SRuOO)(CHHN)(CH3)2	H(CCHN)	107.9425	0.022	2	107.9425	0.000	2	108.3840	0.260	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N[3]-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:	C(N[3]C[3]2Cu)(CCCN)(H)2	C(CN[3]HH)(NCuHH)(CH3)2	H(CN[3]CH)	C(N[3]C[3]2Cu)(CCCN)(H)2	C(CN[3]HH)(NCuHH)(CH3)2	H(CN[3]CH)	109.6338	0.163	10	109.6338	0.027	10	109.6338	0.027	10	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	N[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(N[4]Ga[4]2H)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	H(CN[4]CH)	C(N[4]Ga[4]2H)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	H(CN[4]CH)	108.2360	1.273	3	108.2360	1.621	3	108.2360	1.621	3	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OCr3)(CC3)(H)2	C(CCHH)(CHHO)3	H(CCHO)	C(OCr3)(CC3)(H)2	C(CCHH)(CHHO)3	H(CCHO)	109.0760	0.000	1	109.0760	0.000	1	108.8184	0.042	29	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OCrMo2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OCrMo2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.8554	0.131	10	108.8554	0.017	10	108.8184	0.042	29	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OCuMo2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OCuMo2)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.9193	0.027	4	108.9193	0.001	4	108.8184	0.042	29	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OFe3)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OFe3)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.8309	0.140	8	108.8309	0.020	8	108.8184	0.042	29	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OMo2Ni)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	C(OMo2Ni)(CC3)(H)2	C(CHHO)3(CH3)	H(CCHO)	108.8375	0.073	4	108.8375	0.005	4	108.8184	0.042	29	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(OZn3)(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	C(OZn3)(CC3)(H)2	C(CHHO)(CH3)3	H(CCHO)	108.2145	0.022	2	108.2145	0.000	2	108.8184	0.042	29	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	O-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(OCrMo2)(CCCN)(H)2	C(CHHO)3(NH3)	H(CCHO)	C(OCrMo2)(CCCN)(H)2	C(CHHO)3(NH3)	H(CCHO)	108.9622	0.260	4	108.9622	0.067	4	108.9622	0.067	4	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PCCW)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PCCW)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	106.1373	2.981	6	106.1373	8.888	6	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[5]Li2)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	C(PC[5]Li2)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	107.5835	0.009	2	107.5835	0.000	2	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Au)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Au)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	106.8810	0.332	6	106.8810	0.110	6	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2C)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2C)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	106.6332	0.498	6	106.6332	0.248	6	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Cl)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Cl)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.0315	0.021	2	107.0315	0.000	2	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Co)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Co)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	108.2716	0.629	22	108.2716	0.395	22	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Cu)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Cu)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.8508	0.512	31	107.8508	0.262	31	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Fe)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHP)	C(PC[6a]2Fe)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHP)	107.3750	0.271	4	107.3750	0.073	4	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Fe)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Fe)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.9611	0.450	62	107.9611	0.202	62	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ir)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Ir)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.9003	0.591	9	107.9003	0.349	9	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Mo)(CC3)(H)2	C(CHHO)(CHHP)3	H(CCHP)	C(PC[6a]2Mo)(CC3)(H)2	C(CHHO)(CHHP)3	H(CCHP)	107.3720	0.059	6	107.3720	0.004	6	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)(CHHS)2(CH3)	H(CCHP)	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)(CHHS)2(CH3)	H(CCHP)	108.1795	0.039	2	108.1795	0.002	2	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHP)	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	H(CCHP)	108.2002	0.111	4	108.2002	0.012	4	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.9299	0.479	8	107.9299	0.229	8	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ni)(CC3)(H)2	C(CCHH)2(CHHP)2	H(CCHP)	C(PC[6a]2Ni)(CC3)(H)2	C(CCHH)2(CHHP)2	H(CCHP)	107.5390	0.000	1	107.5390	0.000	1	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ni)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	C(PC[6a]2Ni)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	107.7687	0.177	18	107.7687	0.031	18	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ni)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Ni)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	108.8483	2.191	16	108.8483	4.798	16	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2O)(CC3)(H)2	C(CCHH)(CHHP)3	H(CCHP)	C(PC[6a]2O)(CC3)(H)2	C(CCHH)(CHHP)3	H(CCHP)	107.3874	0.510	5	107.3874	0.260	5	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2O)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	C(PC[6a]2O)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	107.4040	0.000	1	107.4040	0.000	1	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2O)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2O)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.9483	0.098	6	107.9483	0.010	6	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Pd)(CC3)(H)2	C(CCCH)2(CHHP)2	H(CCHP)	C(PC[6a]2Pd)(CC3)(H)2	C(CCCH)2(CHHP)2	H(CCHP)	107.1047	0.097	3	107.1047	0.009	3	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Pd)(CC3)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCHP)	C(PC[6a]2Pd)(CC3)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCHP)	106.9880	0.040	4	106.9880	0.002	4	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Pd)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	C(PC[6a]2Pd)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	107.6333	0.031	3	107.6333	0.001	3	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Pt)(CC3)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCHP)	C(PC[6a]2Pt)(CC3)(H)2	C(CCHH)(CHHP)2(CH3)	H(CCHP)	107.0707	0.058	3	107.0707	0.003	3	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Re)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Re)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	108.1807	0.247	38	108.1807	0.061	38	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ru)(CC3)(H)2	C(CC[6a]HH)(CHHP)3	H(CCHP)	C(PC[6a]2Ru)(CC3)(H)2	C(CC[6a]HH)(CHHP)3	H(CCHP)	108.1010	0.349	6	108.1010	0.122	6	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ru)(CC3)(H)2	C(CHHO)(CHHP)2(CH3)	H(CCHP)	C(PC[6a]2Ru)(CC3)(H)2	C(CHHO)(CHHP)2(CH3)	H(CCHP)	107.4083	0.045	4	107.4083	0.002	4	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	107.3209	0.759	11	107.3209	0.577	11	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	108.1839	0.483	27	108.1839	0.233	27	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]2W)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]2W)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.4720	0.049	4	107.4720	0.002	4	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]3)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	C(PC[6a]3)(CC3)(H)2	C(CHHP)2(CH3)2	H(CCHP)	107.1252	0.434	4	107.1252	0.188	4	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]C[6]Co)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]C[6]Co)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	109.1625	0.668	2	109.1625	0.447	2	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[6a]C[6]Ni)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PC[6a]C[6]Ni)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.4600	8.874	2	107.4600	78.751	2	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PCrCC)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PCrCC)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	108.1929	4.812	12	108.1929	23.151	12	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PMoCC)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	C(PMoCC)(CC3)(H)2	C(CHHP)3(CH3)	H(CCHP)	107.7571	2.341	14	107.7571	5.482	14	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PPdCC)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	C(PPdCC)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	107.0995	0.828	22	107.0995	0.685	22	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PPdNN)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	C(PPdNN)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	107.3780	0.000	1	107.3780	0.000	1	107.8265	1.822	377	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	P[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(P[3]C[3]P[3]C)(CC3)(H)2	C(CP[3]HH)(CH3)3	H(CP[3]CH)	C(P[3]C[3]P[3]C)(CC3)(H)2	C(CP[3]HH)(CH3)3	H(CP[3]CH)	109.7645	2.494	2	109.7645	6.220	2	109.7645	6.220	2	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	S-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SC[6a]PdO)(CC3)(H)2	C(CHHS)(CH3)3	H(CCHS)	C(SC[6a]PdO)(CC3)(H)2	C(CHHS)(CH3)3	H(CCHS)	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:4:4:4:	4:	Si-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SiSiCC)(CC3)(H)2	C(CSiHH)(CH3)3	H(CSiCH)	C(SiSiCC)(CC3)(H)2	C(CSiHH)(CH3)3	H(CSiCH)	104.4175	0.012	2	104.4175	0.000	2	104.4175	0.000	2	107.9478	3.039	1850	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	4:5:1:1:	4:	C-4:Si-4:H-1:H-1:	C-4:C-5:H-1:H-1:	C-4:	C(CCHH)(SiC3)(H)2	C(CSiHH)(CAl4)(H)2	H(CSiCH)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CAl4)(H)2	H(CSiCH)	108.5670	0.030	2	108.5670	0.001	2	108.5670	0.001	2	108.5670	0.001	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	B-5:C-4:H-1:H-1:	C-4:	C(CBHH)(CH3)(H)2	C(BOs2CC)(CCHH)(H)2	H(CCCH)	C(CBHH)(CH3)(H)2	C(BOs2CC)(CCHH)(H)2	H(CCCH)	108.8825	0.432	4	108.8825	0.187	4	108.8825	0.187	4	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CHHNW)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CHHNW)(CCHH)(H)2	H(CCCH)	108.7583	0.358	7	108.7583	0.128	7	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CLiMgHH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CLiMgHH)(CCHH)(H)2	H(CCCH)	108.6190	1.075	8	108.6190	1.156	8	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(H)2	C(CMg2HH)(CCHH)(H)2	H(CCCH)	C(CCHH)(CH3)(H)2	C(CMg2HH)(CCHH)(H)2	H(CCCH)	108.5422	0.198	4	108.5422	0.039	4	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(CLaHHO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(CLaHHO)(CCHH)(H)2	H(CCCH)	109.5390	0.017	2	109.5390	0.000	2	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CCr2HH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CCr2HH)(CCHH)(H)2	H(CCCH)	106.3942	0.066	4	106.3942	0.004	4	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CMoCCH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CMoCCH)(CCHH)(H)2	H(CCCH)	107.9470	0.036	4	107.9470	0.001	4	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)2	C(CNaCHH)(CCHH)(H)2	H(CCCH)	C(CCHH)2(H)2	C(CNaCHH)(CCHH)(H)2	H(CCCH)	109.5105	0.045	4	109.5105	0.002	4	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CFeCH)(CCHH)(H)2	C(CFeLiCH)(CCHH)(H)2	H(CCCH)	C(CFeCH)(CCHH)(H)2	C(CFeLiCH)(CCHH)(H)2	H(CCCH)	109.4795	0.039	2	109.4795	0.002	2	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CIr3C)(CCHH)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CIr3C)(CCHH)(H)2	H(CCCH)	108.2155	0.366	4	108.2155	0.134	4	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(H)2	C(CIrCHO)(CCHH)(H)2	H(CCCH)	C(CIrCH)(CCHH)(H)2	C(CIrCHO)(CCHH)(H)2	H(CCCH)	107.8895	0.093	4	107.8895	0.009	4	108.4254	0.922	43	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3,3,5,4x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	H(CCCH)	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	H(CCCH)	110.3750	0.578	2	110.3750	0.335	2	110.3750	0.335	2	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	H(CCCH)	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	H(CCCH)	109.1995	0.125	2	109.1995	0.016	2	109.1995	0.016	2	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	H(CCCH)	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	H(CCCH)	109.0623	0.394	15	109.0623	0.155	15	109.0623	0.155	15	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[4]-5:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2NiH)(CCHH)(H)2	H(CCCH)	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2NiH)(CCHH)(H)2	H(CCCH)	108.9850	0.025	2	108.9850	0.001	2	108.9850	0.001	2	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	Ge[5,3x6]-5:C-4:H-1:H-1:	C-4:	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	H(CCCH)	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	H(CCCH)	108.8030	0.037	2	108.8030	0.001	2	108.8030	0.001	2	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PCCOU)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PCCOU)(CCHH)(H)2	H(CCCH)	109.0744	0.255	20	109.0744	0.065	20	109.1565	0.112	102	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(H)2	C(PThCCO)(CCHH)(H)2	H(CCCH)	C(CCHH)(CHHP)(H)2	C(PThCCO)(CCHH)(H)2	H(CCCH)	109.1765	0.349	82	109.1765	0.122	82	109.1565	0.112	102	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CCHH)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	H(CCCH)	108.8405	0.189	4	108.8405	0.036	4	108.9592	0.053	10	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CH3)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	H(CCCH)	109.1125	0.265	4	109.1125	0.070	4	108.9592	0.053	10	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)(H)2	C(SiC[6a]C[6]FeH)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CH3)(H)2	C(SiC[6a]C[6]FeH)(CCHH)(H)2	H(CCCH)	108.8900	0.008	2	108.8900	0.000	2	108.9592	0.053	10	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si[5,5,6]-5:C-4:H-1:H-1:	C-4:	C(CSi[5,5,6]HH)(CH3)(H)2	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	H(CCCH)	C(CSi[5,5,6]HH)(CH3)(H)2	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	H(CCCH)	108.9668	0.246	4	108.9668	0.060	4	108.9668	0.060	4	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3x3,3x5,12x6]HH)(NAlCC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	H(CCHN)	C(CC[3x3,3x5,12x6]HH)(NAlCC)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	H(CCHN)	108.4680	0.038	2	108.4680	0.001	2	108.4680	0.001	2	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-5:C-4:H-1:H-1:	C-4:	C(NLiCC)(CHHN)(H)2	C(NLi3C)(CHHN)(H)2	H(CCHN)	C(NLiCC)(CHHN)(H)2	C(NLi3C)(CHHN)(H)2	H(CCHN)	108.9170	0.067	4	108.9170	0.005	4	109.2103	0.129	8	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	N-4:C-4:H-1:H-1:	N-5:C-4:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(H)2	C(NNiCHH)(CHHN)(H)2	H(CCHN)	C(NNiCH)(CHHN)(H)2	C(NNiCHH)(CHHN)(H)2	H(CCHN)	109.5035	0.257	4	109.5035	0.066	4	109.2103	0.129	8	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:1:1:	4:	P-4:C-4:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(PPdCC)(CHHP)(H)2	C(PCuPdCC)(CHHP)(H)2	H(CCHP)	C(PPdCC)(CHHP)(H)2	C(PCuPdCC)(CHHP)(H)2	H(CCHP)	109.0600	0.040	2	109.0600	0.002	2	109.0600	0.002	2	108.9730	0.387	198	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	5:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	H(CCCH)	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	H(CCCH)	108.5860	0.004	2	108.5860	0.000	2	108.5860	0.000	2	108.5860	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	6:2:4:1:	4:	C-4:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:S-2:C-4:H-1:	C-4:	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	H(CCCH)	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	H(CCCH)	108.7280	0.004	2	108.7280	0.000	2	108.7280	0.000	2	108.7280	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	6:4:1:1:	4:	C-4:C-4:H-1:H-1:	B[4x3,5,4x6]-6:C-4:H-1:H-1:	C-4:	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	H(CCCH)	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	H(CCCH)	108.5145	0.013	2	108.5145	0.000	2	108.5145	0.000	2	108.9808	0.290	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	6:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	109.2928	0.232	5	109.2928	0.054	5	109.1528	0.247	13	108.9808	0.290	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	6:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	H(CCCH)	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	H(CCCH)	108.9968	0.704	6	108.9968	0.495	6	109.1528	0.247	13	108.9808	0.290	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	6:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	H(CCCH)	109.2705	0.018	2	109.2705	0.000	2	109.1528	0.247	13	108.9808	0.290	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	6:4:1:1:	4:	C-4:N-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	H(CCHN)	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	H(CCHN)	108.3295	0.057	2	108.3295	0.003	2	108.3295	0.003	2	108.9808	0.290	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:1:1:	7:4:1:1:	4:	C-4:C-4:H-1:H-1:	Si-7:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)(H)2	C(SiTiO3WW)(CCHH)(H)2	H(CCCH)	C(CSiHH)(CH3)(H)2	C(SiTiO3WW)(CCHH)(H)2	H(CCCH)	108.8690	0.261	5	108.8690	0.068	5	108.8690	0.068	5	108.8690	0.068	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CBrHH)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CBrHH)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	109.9380	0.000	1	109.9380	0.000	1	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	110.1740	0.672	2	110.1740	0.451	2	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(OC[6])(CCHO)(H)2	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(OC[6])(CCHO)(H)2	H(CCCO)	108.6035	0.361	2	108.6035	0.131	2	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	107.7200	0.000	1	107.7200	0.000	1	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	108.9870	0.000	1	108.9870	0.000	1	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	108.4580	0.960	12	108.4580	0.921	12	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CHHO)(CH3)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	109.5290	0.148	2	109.5290	0.022	2	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(OC)(H)	C(OC[6,6])(CCHO)(H)2	H(CCCO)	C(CHHO)2(OC)(H)	C(OC[6,6])(CCHO)(H)2	H(CCCO)	109.0960	0.000	1	109.0960	0.000	1	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(OH)(H)	C(OC[5])(CCHO)(H)2	H(CCCO)	C(CHHO)2(OH)(H)	C(OC[5])(CCHO)(H)2	H(CCCO)	107.0150	0.000	1	107.0150	0.000	1	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(OH)(H)	C(OC[6])(CCHO)(H)2	H(CCCO)	C(CHHO)2(OH)(H)	C(OC[6])(CCHO)(H)2	H(CCCO)	109.4060	0.000	1	109.4060	0.000	1	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	108.3596	1.261	37	108.3596	1.590	37	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	H(CCCO)	108.1125	0.921	8	108.1125	0.847	8	108.4707	1.321	69	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHS)(OH)(H)	C(SC[5a])(CCHO)(H)2	H(CCCO)	C(CCHN)(CHHS)(OH)(H)	C(SC[5a])(CCHO)(H)2	H(CCCO)	108.7790	0.000	1	108.7790	0.000	1	108.8727	0.649	13	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHS)(OH)(H)	C(SC[6a])(CCHO)(H)2	H(CCCO)	C(CCHN)(CHHS)(OH)(H)	C(SC[6a])(CCHO)(H)2	H(CCCO)	109.8400	0.000	1	109.8400	0.000	1	108.8727	0.649	13	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(OH)(H)	C(SC[5])(CCHO)(H)2	H(CCCO)	C(CHHS)(CH3)(OH)(H)	C(SC[5])(CCHO)(H)2	H(CCCO)	108.7933	0.823	11	108.7933	0.677	11	108.8727	0.649	13	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:1:1:	4:	C-4:P-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(PCCO)(OH)(H)	C(SC[6a])(CHOP)(H)2	H(CCOP)	C(CHHS)(PCCO)(OH)(H)	C(SC[6a])(CHOP)(H)2	H(CCOP)	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	108.5360	1.212	83	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:2:1:	4:	C-4:C-4:O-2:H-1:	S-2:C-4:O-2:H-1:	C-4:	C(CCHO)(CHOS)(OC)(H)	C(SC[6a])(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHOS)(OC)(H)	C(SC[6a])(CCHO)(OC)(H)	H(CCCO)	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:3:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CCH)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CCH)(H)	H(CCCO)	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0620	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHH)(CCHO)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHH)(CCHO)(H)	H(CCCO)	108.7690	0.000	1	108.7690	0.000	1	108.6583	0.786	6	108.8074	0.811	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	H(CCCO)	109.1000	0.000	1	109.1000	0.000	1	108.6583	0.786	6	108.8074	0.811	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(OC[5])(CCHH)(CCHO)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(OC[5])(CCHH)(CCHO)(H)	H(CCCO)	107.0630	0.000	1	107.0630	0.000	1	108.6583	0.786	6	108.8074	0.811	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(OC[5])(CCHO)(CH3)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(OC[5])(CCHO)(CH3)(H)	H(CCCO)	108.2700	0.000	1	108.2700	0.000	1	108.6583	0.786	6	108.8074	0.811	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(OC[6])(CCHO)(CH3)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(OC[6])(CCHO)(CH3)(H)	H(CCCO)	109.3430	0.000	1	109.3430	0.000	1	108.6583	0.786	6	108.8074	0.811	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:1:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CC[6]HO)(CCHO)(OH)(H)	C(OC[6])(CCHO)(CHHO)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OH)(H)	C(OC[6])(CCHO)(CHHO)(H)	H(CCCO)	109.4050	0.000	1	109.4050	0.000	1	108.6583	0.786	6	108.8074	0.811	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:1:	4:	C-4:P-4:O-2:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(PO3)(OH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	H(CCOP)	C(CCHS)(PO3)(OH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	H(CCOP)	109.7020	0.000	1	109.7020	0.000	1	109.7020	0.000	1	108.8074	0.811	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:3:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-3:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)(CCH)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)(CCH)	H(CCCO)	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	108.2020	0.980	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:3:	4:	C-4:C-4:O-2:H-1:	Se-2:C-4:C-4:C-3:	C-4:	C(CSeCC)(CCHN)(OH)(H)	C(SeC[6a])(CCHO)(CH3)(COO)	H(CCCO)	C(CSeCC)(CCHN)(OH)(H)	C(SeC[6a])(CCHO)(CH3)(COO)	H(CCCO)	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	108.2020	0.980	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:4:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	H(CCCO)	108.6390	0.276	2	108.6390	0.076	2	107.8878	0.643	12	107.8878	0.643	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:4:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHO)(CH3)2	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHO)(CH3)2	H(CCCO)	108.0170	0.000	1	108.0170	0.000	1	107.8878	0.643	12	107.8878	0.643	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:4:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)2	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)2	H(CCCO)	107.4592	0.706	6	107.4592	0.498	6	107.8878	0.643	12	107.8878	0.643	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:4:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(CH3)2	H(CCCO)	C(CCCO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(CH3)2	H(CCCO)	108.7725	0.059	2	108.7725	0.003	2	107.8878	0.643	12	107.8878	0.643	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	2:4:4:4:	4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(CH3)2	H(CCCO)	C(CCCO)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(CH3)2	H(CCCO)	107.0590	0.000	1	107.0590	0.000	1	107.8878	0.643	12	107.8878	0.643	12	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:2:4:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:O-2:C-4:H-1:	C-4:	C(CN[5a]HO)(CC3)(OC)(H)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	H(CCCO)	C(CN[5a]HO)(CC3)(OC)(H)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	H(CCCO)	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:3:4:	4:	C-4:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:	C(CC[6a]3)(CH3)(CC)(H)	C(C[6a]C[6a]2)3(CCCH)	H(CC3)	C(CC[6a]3)(CH3)(CC)(H)	C(C[6a]C[6a]2)3(CCCH)	H(CC3)	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:C-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	107.2480	0.000	1	107.2480	0.000	1	107.2480	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:N-2:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	H(CCCO)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	H(CCCO)	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	C(CC[6a]2H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	105.0670	0.000	1	105.0670	0.000	1	107.3302	6.503	5	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CH3)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	C(CC[6a]2H)(CH3)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	108.8187	2.167	3	108.8187	4.697	3	107.3302	6.503	5	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CHHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	C(CC[6a]2H)(CHHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	H(CCCO)	105.1280	0.000	1	105.1280	0.000	1	107.3302	6.503	5	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	H(CCCO)	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	H(CCCO)	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	H(CCCO)	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	H(CCCO)	109.2320	0.000	1	109.2320	0.000	1	109.2320	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	N-3:N-3:C-4:H-1:	C-4:	C(CHHO)(CHNN)(OH)(H)	C(NC[5a]H)2(CCHO)(H)	H(CCCO)	C(CHHO)(CHNN)(OH)(H)	C(NC[5a]H)2(CCHO)(H)	H(CCCO)	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5]2H)(CC3)(OZn)(H)	C(N[5]C[5]N[5])2(CCHO)(H)	H(CCCO)	C(CN[5]2H)(CC3)(OZn)(H)	C(N[5]C[5]N[5])2(CCHO)(H)	H(CCCO)	105.1120	0.000	1	105.1120	0.000	1	105.1120	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	H(CCCO)	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	H(CCCO)	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C-4:C-4:Se-2:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	H(CSeCC)	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	H(CSeCC)	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]2H)(OH)(H)	C(C[6a]C[6a]2)2(CC[6]HO)(H)	H(CC[6]CO)	109.1010	0.000	1	109.1010	0.000	1	109.1010	0.000	1	107.7849	3.380	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:2:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	108.5900	0.000	1	108.5900	0.000	1	108.8978	0.910	5	108.5685	0.845	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:2:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCHH)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(OC)	H(CCCN)	C(CC[6a]2O)(CCHH)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(OC)	H(CCCN)	107.3790	0.000	1	107.3790	0.000	1	108.8978	0.910	5	108.5685	0.845	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:2:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	109.5067	0.251	3	109.5067	0.063	3	108.8978	0.910	5	108.5685	0.845	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:3:4:2:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	H(CCCO)	C(CC[6a]2O)(CCHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	H(CCCO)	108.2940	0.874	6	108.2940	0.763	6	108.2940	0.763	6	108.5685	0.845	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:C-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CC)(H)	C(CC[6a]N)(CCCH)(H)2	H(CC3)	C(CCHH)(CCHO)(CC)(H)	C(CC[6a]N)(CCCH)(H)2	H(CC3)	107.5215	1.003	2	107.5215	1.007	2	107.5215	1.007	2	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.1670	0.000	1	107.1670	0.000	1	107.7092	0.172	4	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.1770	0.000	1	108.1770	0.000	1	107.7092	0.172	4	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)2(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.7465	0.011	2	107.7465	0.000	2	107.7092	0.172	4	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:C-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(CC)(H)	C(NC[6a]H)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(CC)(H)	C(NC[6a]H)(CCCH)(H)2	H(CC3)	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(NN)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(CF3)(NN)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	H(CCCN)	C(CC[6a]ClH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	H(CCCN)	110.2165	1.350	2	110.2165	1.822	2	110.2165	1.822	2	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.5090	0.235	3	109.5090	0.055	3	108.7449	1.877	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.8000	0.000	1	109.8000	0.000	1	108.7449	1.877	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.7755	0.421	2	106.7755	0.177	2	108.7449	1.877	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHN)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.3360	0.000	1	109.3360	0.000	1	108.7449	1.877	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CC[6a]O)(CCHO)(Br)(H)	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CC[6a]O)(CCHO)(Br)(H)	H(CCCO)	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OC)(H)	C(CN[5]O)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	C(CN[5]O)(CCHO)(H)2	H(CCCO)	108.7860	0.000	1	108.7860	0.000	1	108.9360	0.531	5	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(H)2	H(CCCO)	109.2900	0.000	1	109.2900	0.000	1	108.9360	0.531	5	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CC[6]O)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CC[6]O)(CCHO)(H)2	H(CCCO)	109.0120	0.000	1	109.0120	0.000	1	108.9360	0.531	5	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CC[5a]O)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CC[5a]O)(CCHO)(H)2	H(CCCO)	109.7790	0.000	1	109.7790	0.000	1	108.9360	0.531	5	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CC[6]O)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CC[6]O)(CCHO)(H)2	H(CCCO)	107.8130	0.000	1	107.8130	0.000	1	108.9360	0.531	5	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(H)2	H(CCCO)	107.2970	0.735	8	107.2970	0.540	8	108.7297	26.788	11	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(OH)(H)	C(C[5]N[5]2)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CH3)(OH)(H)	C(C[5]N[5]2)(CCHO)(H)2	H(CCCO)	112.5503	10.097	3	112.5503	101.942	3	108.7297	26.788	11	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCl3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(CCl3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	H(CCCO)	117.0720	0.000	1	117.0720	0.000	1	108.9053	10.076	10	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(CH3)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	H(CCCO)	109.9320	0.000	1	109.9320	0.000	1	108.9053	10.076	10	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]2)(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]2)(CCHO)(H)2	H(CCCO)	107.3540	1.300	6	107.3540	1.691	6	108.9053	10.076	10	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	H(CCCO)	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	H(CCCO)	108.9625	0.186	2	108.9625	0.035	2	108.9053	10.076	10	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(CCHH)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	H(CCCO)	C(CC[6a]ClH)(CCHH)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	H(CCCO)	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.3240	0.000	1	109.3240	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	107.6310	0.000	1	107.6310	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCCO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	H(CCCO)	108.4830	0.136	2	108.4830	0.018	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.4340	0.571	2	109.4340	0.326	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.5318	0.709	12	108.5318	0.502	12	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	H(CCCO)	108.5155	1.180	2	108.5155	1.393	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.3220	0.000	1	108.3220	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.6720	0.000	1	109.6720	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.7910	0.720	6	108.7910	0.519	6	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHO)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.4930	0.000	1	108.4930	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OTi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHO)(OTi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	107.8785	0.054	2	107.8785	0.003	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	111.3575	3.423	2	111.3575	11.718	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.7115	0.028	2	109.7115	0.001	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCl2H)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCl2H)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	H(CCCO)	107.5470	0.000	1	107.5470	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCl3)(OH)(H)	C(C[6a]N[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCl3)(OH)(H)	C(C[6a]N[6a]2)(CCHO)(H)2	H(CCCO)	108.8310	0.000	1	108.8310	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CClCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CClCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	107.7800	0.000	1	107.7800	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.4096	0.409	5	109.4096	0.167	5	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.1944	0.800	7	108.1944	0.641	7	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	H(CCCO)	107.8360	0.181	2	107.8360	0.033	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.0827	0.711	3	109.0827	0.505	3	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CHHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	110.6440	0.000	1	110.6440	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	107.2210	0.000	1	107.2210	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.4265	0.527	2	109.4265	0.278	2	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.9510	0.000	1	108.9510	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	109.8360	0.000	1	109.8360	0.000	1	108.7921	1.092	61	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(OSi)(H)	C(NC[6a]H)(CCHO)(H)2	H(CCCO)	C(CCHO)(CHHN)(OSi)(H)	C(NC[6a]H)(CCHO)(H)2	H(CCCO)	107.0970	0.000	1	107.0970	0.000	1	108.4056	1.004	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(NC[5a]C[6a])(CCHO)(H)2	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(NC[5a]C[6a])(CCHO)(H)2	H(CCCO)	109.1410	0.000	1	109.1410	0.000	1	108.4056	1.004	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(NC[6]H)(CCHO)(H)2	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(NC[6]H)(CCHO)(H)2	H(CCCO)	107.0860	0.000	1	107.0860	0.000	1	108.4056	1.004	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OC)(H)	C(NC[6a]S)(CCHO)(H)2	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	C(NC[6a]S)(CCHO)(H)2	H(CCCO)	109.3740	0.000	1	109.3740	0.000	1	108.4056	1.004	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	C(NC[6]S)(CCHO)(H)2	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	C(NC[6]S)(CCHO)(H)2	H(CCCO)	108.0990	0.000	1	108.0990	0.000	1	108.4056	1.004	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NC[6a]H)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NC[6a]H)(CCHO)(H)2	H(CCCO)	109.3680	0.000	1	109.3680	0.000	1	108.4056	1.004	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(OH)(H)	C(NC[6a]H)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHHN)(OH)(H)	C(NC[6a]H)(CCHO)(H)2	H(CCCO)	108.6740	0.000	1	108.6740	0.000	1	108.4056	1.004	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	108.9470	0.000	1	108.9470	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC3)(OB)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CC3)(OB)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	107.1410	0.000	1	107.1410	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	107.3620	0.000	1	107.3620	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	109.5540	0.000	1	109.5540	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CClHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CClHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	109.0200	0.000	1	109.0200	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	109.2280	0.000	1	109.2280	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(OH)(H)	C(N[5]C[5,6]C[5])(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CHHN)(OH)(H)	C(N[5]C[5,6]C[5])(CCHO)(H)2	H(CCCO)	107.3945	1.012	2	107.3945	1.024	2	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CHHO)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	109.4990	0.000	1	109.4990	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	H(CCCO)	109.3530	0.000	1	109.3530	0.000	1	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(OH)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	C(CN[5]HH)2(OH)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	106.7135	0.049	2	106.7135	0.002	2	108.1933	1.428	12	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CCHH)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	107.0860	0.000	1	107.0860	0.000	1	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CClHH)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CClHH)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	110.1050	0.734	2	110.1050	0.539	2	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	H(CCCO)	107.8840	0.000	1	107.8840	0.000	1	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	109.0553	0.825	13	109.0553	0.680	13	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	109.8645	0.258	2	109.8645	0.067	2	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	110.0305	0.185	2	110.0305	0.034	2	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	H(CCCO)	109.0390	0.135	5	109.0390	0.018	5	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	107.4820	0.000	1	107.4820	0.000	1	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	H(CCCO)	105.5120	0.000	1	105.5120	0.000	1	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	H(CCCO)	107.8433	1.662	3	107.8433	2.763	3	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)2(OH)(H)	C(N[5a]N[5a]2)(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)2(OH)(H)	C(N[5a]N[5a]2)(CCHO)(H)2	H(CCCO)	109.7230	0.000	1	109.7230	0.000	1	108.8791	1.418	32	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	109.8270	0.000	1	109.8270	0.000	1	109.2496	0.409	8	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	109.3770	0.000	1	109.3770	0.000	1	109.2496	0.409	8	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	109.1160	0.000	1	109.1160	0.000	1	109.2496	0.409	8	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHN)(OC)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CCHN)(OC)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	109.3895	0.316	2	109.3895	0.100	2	109.2496	0.409	8	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(OB)(H)	C(N[6]B[6]C[6])(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CH3)(OB)(H)	C(N[6]B[6]C[6])(CCHO)(H)2	H(CCCO)	108.0920	0.000	1	108.0920	0.000	1	109.2496	0.409	8	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(OH)(H)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHHN)(OH)(H)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	H(CCCO)	108.7080	0.000	1	108.7080	0.000	1	109.2496	0.409	8	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	H(CCCO)	110.0980	0.000	1	110.0980	0.000	1	109.2496	0.409	8	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHO)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CN[6a]HH)(CCHO)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.5345	0.674	2	108.5345	0.454	2	108.4353	0.257	3	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	H(CCCO)	108.2370	0.000	1	108.2370	0.000	1	108.4353	0.257	3	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CCHO)(CHHP)(OC)(H)	C(PC[6a]2)(CCHO)(H)2	H(CCCO)	C(CCHO)(CHHP)(OC)(H)	C(PC[6a]2)(CCHO)(H)2	H(CCCO)	108.7490	0.284	2	108.7490	0.081	2	108.7490	0.081	2	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CBrCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CBrCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	107.7640	0.000	1	107.7640	0.000	1	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	108.1830	0.000	1	108.1830	0.000	1	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	108.1315	0.879	4	108.1315	0.773	4	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CCl3)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CCl3)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	107.9975	1.761	2	107.9975	3.103	2	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CClHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CClHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	109.0440	0.000	1	109.0440	0.000	1	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CFFH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CFFH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	108.8850	0.361	2	108.8850	0.130	2	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CFHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CFHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	108.3670	0.544	2	108.3670	0.296	2	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(CF3)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	C(CHHS)(CF3)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	H(CCCO)	108.8893	1.207	3	108.8893	1.457	3	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)2(OH)(H)	C(SC[6a]Pd)(CCHO)(H)2	H(CCCO)	C(CHHS)2(OH)(H)	C(SC[6a]Pd)(CCHO)(H)2	H(CCCO)	109.5805	0.159	2	109.5805	0.025	2	108.5469	0.815	18	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CBrHH)(CSeHH)(OP)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	C(CBrHH)(CSeHH)(OP)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	109.1320	0.000	1	109.1320	0.000	1	108.5861	2.504	19	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(OC)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	C(CSeHH)2(OC)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	109.3642	0.247	4	109.3642	0.061	4	108.5861	2.504	19	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(OH)(H)	C(SeC[6a]Pd)(CCHO)(H)2	H(CCCO)	C(CSeHH)2(OH)(H)	C(SeC[6a]Pd)(CCHO)(H)2	H(CCCO)	110.2105	0.006	2	110.2105	0.000	2	108.5861	2.504	19	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(OH)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	C(CSeHH)2(OH)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	109.1701	0.239	8	109.1701	0.057	8	108.5861	2.504	19	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	H(CCCO)	105.6910	0.284	4	105.6910	0.081	4	108.5861	2.504	19	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(SC)(H)	C(CC[6a]O)(CCHS)(H)2	H(CCCS)	C(CCHH)2(SC)(H)	C(CC[6a]O)(CCHS)(H)2	H(CCCS)	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:Se-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	C(C[6a]C[6a]2)(CSeCH)(H)2	H(CSeCC)	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	C(C[6a]C[6a]2)(CSeCH)(H)2	H(CSeCC)	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C-4:C-4:Se-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(SeC)(H)	C(N[5]C[5]2)(CSeCH)(H)2	H(CSeCC)	C(CN[5]HH)(CCHH)(SeC)(H)	C(N[5]C[5]2)(CSeCH)(H)2	H(CSeCC)	109.1910	0.557	2	109.1910	0.310	2	109.1910	0.310	2	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(H)2	H(CC[3]CO)	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[5]CO)	108.6260	0.291	2	108.6260	0.085	2	108.5231	0.765	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(H)2	H(CC[5]CO)	106.6570	0.000	1	106.6570	0.000	1	108.5231	0.765	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2Mn)(CC[6a]HH)(OC)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	H(CC[5]CO)	109.2000	0.120	2	109.2000	0.014	2	108.5231	0.765	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C(C[6a]C[6a]N[6a])(CC[5]HO)(H)2	H(CC[5]CO)	108.6765	0.162	2	108.6765	0.026	2	108.5231	0.765	7	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CC[5]HO)(H)2	H(CC[5]CO)	108.4615	0.021	2	108.4615	0.000	2	108.2270	0.165	3	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C(N[5a]C[5a]N[5a])(CC[5]HO)(H)2	H(CC[5]CO)	107.7580	0.000	1	107.7580	0.000	1	108.2270	0.165	3	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[6a]ClH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(Cl)(H)	H(CC[6]CO)	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	108.7262	2.712	223	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CHHO)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.9010	0.365	2	107.9010	0.133	2	107.9010	0.133	2	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:N-2:H-1:	C-4:	C(CClCC)(CCHN)(NS)(H)	C(CN[6]O)(CCHN)(NC)(H)	H(CCCN)	C(CClCC)(CCHN)(NS)(H)	C(CN[6]O)(CCHN)(NC)(H)	H(CCCN)	107.4990	0.000	1	107.4990	0.000	1	107.4990	0.000	1	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(NN)(H)	C(CN[5]O)(CCHN)(OC)(H)	H(CCCN)	C(CCHN)(CCHO)(NN)(H)	C(CN[5]O)(CCHN)(OC)(H)	H(CCCN)	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	H(CCCN)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	H(CCCN)	108.7275	0.455	2	108.7275	0.207	2	108.7275	0.207	2	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.8130	0.000	2	108.8130	0.000	2	108.7467	0.013	3	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CHHO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.6140	0.000	1	108.6140	0.000	1	108.7467	0.013	3	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OH)(H)	C(CC[6a]O)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CC[6a]O)(CCHO)(OH)(H)	H(CCCO)	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	H(CCCO)	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCHO)(OH)(H)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	H(CCCO)	C(CC[5a]HO)(CCHO)(OH)(H)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	H(CCCO)	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CC3)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	H(CCCO)	C(CC[6a]CH)(CC3)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	H(CCCO)	107.8820	0.000	1	107.8820	0.000	1	106.5845	3.367	2	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	H(CCCO)	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	H(CCCO)	105.2870	0.000	1	105.2870	0.000	1	106.5845	3.367	2	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	108.9195	0.163	2	108.9195	0.027	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	109.7600	0.055	2	109.7600	0.003	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	H(CCCO)	C(CC[6a]HO)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	H(CCCO)	105.4580	0.000	1	105.4580	0.000	1	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCFF)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(CCFF)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	107.8880	0.000	1	107.8880	0.000	1	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	109.2170	0.397	2	109.2170	0.158	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	104.9140	0.000	1	104.9140	0.000	1	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(OC)(H)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(CCHO)(OC)(H)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	H(CCCO)	109.4675	0.193	2	109.4675	0.037	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CClHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(CClHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	108.2590	1.147	2	108.2590	1.315	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	108.3985	2.556	2	108.3985	6.534	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	H(CCCO)	108.9085	0.333	2	108.9085	0.111	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HO)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	H(CCCO)	108.3620	0.037	2	108.3620	0.001	2	108.4655	2.088	19	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:S-2:H-1:	C-4:	C(CN[6a]HS)(CCCH)(OSi)(H)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	H(CCCO)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	H(CCCO)	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C-4:P-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(PO3)(OC)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	H(CCOP)	C(CC[6a]HO)(PO3)(OC)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	H(CCOP)	107.5285	0.202	2	107.5285	0.041	2	107.5285	0.041	2	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C(C[5]C[5]2)(CC[6]HO)(OH)(H)	H(CC[6]CO)	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	107.4350	0.000	1	107.4350	0.000	1	108.2660	5.010	3	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	106.5620	0.000	1	106.5620	0.000	1	108.2660	5.010	3	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2C)(CC[6]HO)(OH)(H)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	110.8010	0.000	1	110.8010	0.000	1	108.2660	5.010	3	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	108.0020	0.000	1	108.0020	0.000	1	108.1795	0.063	2	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(OC)(H)	H(CC[6]CO)	108.3570	0.000	1	108.3570	0.000	1	108.1795	0.063	2	108.2671	1.648	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CSiHH)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	C(CC[6a]CH)(CSiHH)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	H(CCCN)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	H(CCCN)	110.2650	0.093	2	110.2650	0.009	2	110.2650	0.009	2	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:N-2:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CF3)(NS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	H(CCCN)	C(CCHN)(CF3)(NS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	H(CCCN)	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	B[5]-3:C-4:C-3:H-1:	C-4:	C(CB[5]CH)(CCCH)(OH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	H(CCCO)	C(CB[5]CH)(CCCH)(OH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	H(CCCO)	108.2140	0.000	1	108.2140	0.000	1	108.2140	0.000	1	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(CCH)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(CCH)(H)	H(CCCO)	108.3765	1.941	2	108.3765	3.768	2	108.3765	3.768	2	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CN[5]O)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CN[5]O)(CCHO)(NCH)(H)	H(CCCO)	115.0740	4.896	4	115.0740	23.970	4	113.0605	24.179	6	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(OC)(H)	C(CN[5]O)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(OC)(H)	C(CN[5]O)(CCHO)(NCH)(H)	H(CCCO)	108.6260	0.000	1	108.6260	0.000	1	113.0605	24.179	6	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(OP)(H)	C(CN[5]O)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(OP)(H)	C(CN[5]O)(CCHO)(NCH)(H)	H(CCCO)	109.4410	0.000	1	109.4410	0.000	1	113.0605	24.179	6	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	106.7450	0.000	1	106.7450	0.000	1	108.1993	1.596	3	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	H(CCCO)	108.9265	0.142	2	108.9265	0.020	2	108.1993	1.596	3	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	H(CCCO)	C(CC[6a]HN)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	H(CCCO)	106.6035	0.278	2	106.6035	0.077	2	108.5436	1.325	14	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCCF)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	H(CCCO)	C(CC[6a]HN)(CCCF)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	H(CCCO)	109.4190	0.000	2	109.4190	0.000	2	108.5436	1.325	14	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	H(CCCO)	C(CC[6a]HN)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	H(CCCO)	108.8350	0.000	1	108.8350	0.000	1	108.5436	1.325	14	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCFH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	H(CCCO)	C(CC[6a]HN)(CCFH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	H(CCCO)	109.5930	0.000	1	109.5930	0.000	1	108.5436	1.325	14	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	108.4130	0.817	5	108.4130	0.668	5	108.5436	1.325	14	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	H(CCCO)	109.0240	1.313	3	109.0240	1.723	3	108.5436	1.325	14	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:S-3:H-1:	C-4:	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	H(CCCO)	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	H(CCCO)	109.1030	0.027	4	109.1030	0.001	4	109.1030	0.001	4	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	H(CCCO)	108.2360	0.000	1	108.2360	0.000	1	107.9090	0.214	2	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	H(CCCO)	107.5820	0.000	1	107.5820	0.000	1	107.9090	0.214	2	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	H(CCCO)	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	H(CCCO)	109.4150	0.492	2	109.4150	0.242	2	109.0998	1.028	6	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCCH)(OC)(H)	C(N[5]C[5]2)(CCHO)(CNO)(H)	H(CCCO)	C(CN[5]CH)(CCCH)(OC)(H)	C(N[5]C[5]2)(CCHO)(CNO)(H)	H(CCCO)	109.8805	0.022	2	109.8805	0.000	2	109.0998	1.028	6	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(COO)(H)	H(CCCO)	C(CN[5]CH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(COO)(H)	H(CCCO)	108.0040	1.039	2	108.0040	1.080	2	109.0998	1.028	6	109.2386	6.606	42	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:2:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	H(CCCO)	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	H(CCCO)	107.8270	0.000	1	107.8270	0.000	1	108.0857	0.608	3	108.0857	0.608	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:3:2:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	H(CCCO)	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	H(CCCO)	108.2150	1.056	2	108.2150	1.116	2	108.0857	0.608	3	108.0857	0.608	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CC[3]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CC[3]O)(CCHO)(CH3)(H)	H(CCCO)	109.9780	0.000	1	109.9780	0.000	1	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	108.5300	0.095	2	108.5300	0.009	2	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CC[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CC[5]O)(CCHO)(CH3)(H)	H(CCCO)	108.5970	0.000	1	108.5970	0.000	1	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	106.7270	0.000	1	106.7270	0.000	1	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	H(CCCO)	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	H(CCCO)	109.2720	0.000	1	109.2720	0.000	1	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCHH)(CCHO)(H)	H(CCCO)	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCHH)(CCHO)(H)	H(CCCO)	108.7195	0.230	2	108.7195	0.053	2	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(OSi)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	H(CCCO)	C(CCCH)(CHHO)(OSi)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	H(CCCO)	107.4170	0.000	1	107.4170	0.000	1	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	107.0507	1.778	3	107.0507	3.160	3	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CHHN)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CHHN)(H)	H(CCCO)	107.9150	0.000	1	107.9150	0.000	1	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CN[6]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CN[6]O)(CCHO)(CH3)(H)	H(CCCO)	108.5695	3.386	2	108.5695	11.467	2	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CN[5]O)(CCHO)(CH3)(H)	H(CCCO)	108.4380	0.000	2	108.4380	0.000	2	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(OC)(H)	C(CC[6a]O)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]HH)(CCCH)(OC)(H)	C(CC[6a]O)(CCHO)(CH3)(H)	H(CCCO)	109.2560	0.000	1	109.2560	0.000	1	108.2682	1.842	18	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(OC)(H)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	H(CCCO)	C(CC[5]CH)(CCHH)(OC)(H)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	H(CCCO)	109.0510	0.000	1	109.0510	0.000	1	107.3403	2.203	3	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(CH3)(H)	H(CCCO)	106.4850	0.129	2	106.4850	0.017	2	107.3403	2.203	3	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCHO)(OH)(H)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	H(CCCO)	C(CC[5a]CH)(CCHO)(OH)(H)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	H(CCCO)	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(OH)(H)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CCHH)(OH)(H)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	H(CCCO)	109.4080	0.000	1	109.4080	0.000	1	109.1310	0.153	2	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	H(CCCO)	108.8540	0.000	1	108.8540	0.000	1	109.1310	0.153	2	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	108.9720	0.000	1	108.9720	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	H(CCCO)	C(CC[6a]CH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	H(CCCO)	107.9820	0.000	1	107.9820	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	108.8430	0.000	1	108.8430	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCO)	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	H(CCCO)	105.2020	0.000	1	105.2020	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	110.1990	0.000	1	110.1990	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	108.4150	0.000	1	108.4150	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	H(CCCO)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	H(CCCO)	109.1600	0.000	1	109.1600	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	H(CCCO)	115.4260	0.000	1	115.4260	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	H(CCCO)	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	H(CCCO)	108.2780	0.000	1	108.2780	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	H(CCCO)	109.1250	0.000	1	109.1250	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	H(CCCO)	C(CC[6a]CH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	H(CCCO)	108.3230	0.000	1	108.3230	0.000	1	109.0841	5.950	11	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	H(CCCO)	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	H(CCCO)	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	H(CCCO)	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	H(CCCO)	108.5775	0.275	2	108.5775	0.076	2	108.1980	0.228	4	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	H(CCCO)	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	H(CCCO)	107.9470	0.000	1	107.9470	0.000	1	108.1980	0.228	4	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C(CC[6a]HP)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	H(CCCO)	C(CC[6a]HP)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	H(CCCO)	107.6900	0.000	1	107.6900	0.000	1	108.1980	0.228	4	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(CCHN)(OH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	H(CCCO)	C(CC[6a]HO)(CCHN)(OH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	H(CCCO)	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CH3)(OC)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCCO)	C(CN[5]CH)(CH3)(OC)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	H(CCCO)	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:C-4:S-2:H-1:	C[6a]-3:C-4:C-4:F-1:	C-4:	C(CC[6a]CF)(CCHH)(SC)(H)	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	H(CCCS)	C(CC[6a]CF)(CCHH)(SC)(H)	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	H(CCCS)	105.1350	0.000	1	105.1350	0.000	1	105.1350	0.000	1	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C-4:P-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(PO3)(OH)(H)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	H(CCOP)	C(CC[6a]CH)(PO3)(OH)(H)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	H(CCOP)	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	H(CC[3]CO)	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	108.5180	0.006	2	108.5180	0.000	2	108.7003	0.047	6	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	H(CC[5]CO)	108.7915	0.213	4	108.7915	0.045	4	108.7003	0.047	6	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	108.6620	0.115	2	108.6620	0.013	2	108.6620	0.013	2	108.4191	2.387	53	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:2:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:N-2:	C-4:	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	H(CCCO)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	H(CCCO)	108.1040	0.081	3	108.1040	0.006	3	108.1040	0.006	3	107.7688	0.354	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:2:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	H(CCCO)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	H(CCCO)	108.1160	0.104	3	108.1160	0.011	3	108.1160	0.011	3	107.7688	0.354	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:2:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[4]-4:C-4:O-2:	C-4:	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	H(CCCO)	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	H(CCCO)	106.4810	0.000	1	106.4810	0.000	1	106.4810	0.000	1	107.7688	0.354	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	H(CC[5]CO)	107.3890	0.389	2	107.3890	0.151	2	107.3890	0.151	2	107.7688	0.354	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:3:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	H(CCCO)	C(CC[6a]CC)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	H(CCCO)	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CC[5]O)(CCHO)(CH3)2	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CC[5]O)(CCHO)(CH3)2	H(CCCO)	106.2000	0.198	2	106.2000	0.039	2	107.0973	2.435	3	107.4742	1.670	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OSi)(H)	C(CC[6]O)(CCHO)(CH3)2	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	C(CC[6]O)(CCHO)(CH3)2	H(CCCO)	108.8920	0.000	1	108.8920	0.000	1	107.0973	2.435	3	107.4742	1.670	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	3:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	H(CCCO)	C(CC[6a]CC)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	H(CCCO)	108.0395	0.863	2	108.0395	0.745	2	108.0395	0.745	2	107.4742	1.670	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	C(CCCO)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	107.9990	0.000	1	107.9990	0.000	1	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	108.8230	0.000	2	108.8230	0.000	2	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	107.6440	0.000	2	107.6440	0.000	2	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	107.5490	0.000	1	107.5490	0.000	1	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]3)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]3)(CH3)(CC)(H)	C(CCCH)(H)3	H(CC3)	107.1180	0.000	1	107.1180	0.000	1	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CC)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CC)(H)	C(CCCH)(H)3	H(CC3)	109.1235	0.016	4	109.1235	0.000	4	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CN)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CN)(H)	C(CCCH)(H)3	H(CC3)	107.1825	2.117	8	107.1825	4.482	8	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHP)(CH3)(CN)(H)	C(CCCH)(H)3	H(CC3)	C(CHHP)(CH3)(CN)(H)	C(CCCH)(H)3	H(CC3)	108.5520	0.000	1	108.5520	0.000	1	107.9053	2.341	20	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(Cl)(H)2	H(CCCN)	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(Cl)(H)2	H(CCCN)	108.8810	1.772	2	108.8810	3.140	2	108.8810	3.140	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(NN)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHH)(CF3)(NN)(H)	C(CCHN)(F)3	H(CCCN)	109.3680	0.000	1	109.3680	0.000	1	108.1140	3.145	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHN)(CF3)(NS)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHN)(CF3)(NS)(H)	C(CCHN)(F)3	H(CCCN)	106.8600	0.000	1	106.8600	0.000	1	108.1140	3.145	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC3)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	108.2970	0.420	6	108.2970	0.177	6	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(NP)(H)	C(CCHN)(H)3	H(CCCN)	C(CC3)(CH3)(NP)(H)	C(CCHN)(H)3	H(CCCN)	107.0670	0.000	1	107.0670	0.000	1	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CCCH)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	109.1980	0.474	2	109.1980	0.224	2	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	109.3320	0.000	1	109.3320	0.000	1	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]ClH)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]ClH)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	108.9895	2.672	2	108.9895	7.140	2	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HN)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	109.4878	0.944	4	109.4878	0.892	4	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	108.7910	0.000	2	108.7910	0.000	2	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NC)(H)	C(CCHN)(H)3	H(CCCN)	109.0759	0.761	166	109.0759	0.578	166	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NMo)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NMo)(H)	C(CCHN)(H)3	H(CCCN)	106.1990	0.288	8	106.1990	0.083	8	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NN)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NN)(H)	C(CCHN)(H)3	H(CCCN)	110.0075	0.026	2	110.0075	0.001	2	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NP)(H)	C(CCHN)(H)3	H(CCCN)	108.1165	0.171	22	108.1165	0.029	22	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NPt)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NPt)(H)	C(CCHN)(H)3	H(CCCN)	108.4710	0.062	2	108.4710	0.004	2	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NW)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NW)(H)	C(CCHN)(H)3	H(CCCN)	108.5135	0.032	2	108.5135	0.001	2	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	109.5633	0.280	4	109.5633	0.078	4	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)3	H(CCCN)	109.9670	0.451	2	109.9670	0.204	2	108.8718	0.886	226	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)2(O)	H(CCCN)	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)2(O)	H(CCCN)	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrCC)(CBrHH)(OH)(H)	C(CCHO)(Br)(H)2	H(CCCO)	C(CBrCC)(CBrHH)(OH)(H)	C(CCHO)(Br)(H)2	H(CCCO)	111.2390	0.000	1	111.2390	0.000	1	109.7063	0.670	6	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CCCO)(OH)(H)	C(CCHO)(Br)(H)2	H(CCCO)	C(CBrHH)(CCCO)(OH)(H)	C(CCHO)(Br)(H)2	H(CCCO)	109.1790	0.191	2	109.1790	0.036	2	109.7063	0.670	6	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(OC)(H)	C(CCHO)(Br)(H)2	H(CCCO)	C(CBrHH)(CCHH)(OC)(H)	C(CCHO)(Br)(H)2	H(CCCO)	109.6290	0.000	1	109.6290	0.000	1	109.7063	0.670	6	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CHHO)(OC)(H)	C(CCHO)(Br)(H)2	H(CCCO)	C(CBrHH)(CHHO)(OC)(H)	C(CCHO)(Br)(H)2	H(CCCO)	109.9060	0.000	1	109.9060	0.000	1	109.7063	0.670	6	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CSeHH)(OP)(H)	C(CCHO)(Br)(H)2	H(CCCO)	C(CBrHH)(CSeHH)(OP)(H)	C(CCHO)(Br)(H)2	H(CCCO)	109.1060	0.000	1	109.1060	0.000	1	109.7063	0.670	6	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CC[5a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	C(CC[5a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	112.1980	0.000	1	112.1980	0.000	1	109.2685	5.016	4	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CC[6a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	C(CC[6a]HH)(CCl3)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	108.8760	0.000	1	108.8760	0.000	1	109.2685	5.016	4	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(CHHS)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	C(CCl3)(CHHS)(OH)(H)	C(CCHO)(Cl)3	H(CCCO)	108.0000	1.759	2	108.0000	3.095	2	109.2685	5.016	4	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:H-1:	C-4:	C(CC[6a]HH)(CCl2H)(OH)(H)	C(CCHO)(Cl)2(H)	H(CCCO)	C(CC[6a]HH)(CCl2H)(OH)(H)	C(CCHO)(Cl)2(H)	H(CCCO)	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CC[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	109.4740	0.000	1	109.4740	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CC[6a]HO)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	108.3285	1.173	2	108.3285	1.376	2	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCHH)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CCHH)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	109.0540	0.000	1	109.0540	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	109.2620	0.000	1	109.2620	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CH3)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CH3)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	107.5200	0.000	1	107.5200	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	108.8960	0.000	1	108.8960	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	109.6540	0.205	2	109.6540	0.042	2	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	108.8870	0.000	1	108.8870	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHS)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CHHS)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	109.0610	0.000	1	109.0610	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CN[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CN[5]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	108.9900	0.000	1	108.9900	0.000	1	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CClHH)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CN[5a]HH)(CClHH)(OC)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	110.1265	0.770	2	110.1265	0.593	2	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CN[5a]HH)(CClHH)(OH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	109.3603	0.862	14	109.3603	0.743	14	109.2288	0.698	28	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(OH)(H)	C(CCHO)(F)3	H(CCCO)	C(CCHH)(CF3)(OH)(H)	C(CCHO)(F)3	H(CCCO)	108.3670	1.049	3	108.3670	1.101	3	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CC)(CF3)(OC)(H)	C(CCHO)(F)3	H(CCCO)	C(CC[6a]CC)(CF3)(OC)(H)	C(CCHO)(F)3	H(CCCO)	109.0970	0.000	1	109.0970	0.000	1	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CH)(CF3)(OC)(H)	C(CCHO)(F)3	H(CCCO)	C(CC[6a]CH)(CF3)(OC)(H)	C(CCHO)(F)3	H(CCCO)	104.9970	0.000	1	104.9970	0.000	1	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CH)(CF3)(OH)(H)	C(CCHO)(F)3	H(CCCO)	C(CC[6a]CH)(CF3)(OH)(H)	C(CCHO)(F)3	H(CCCO)	108.7390	0.622	2	108.7390	0.387	2	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(OB)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(OB)(H)	C(CCHO)(F)3	H(CCCO)	108.6261	0.752	14	108.6261	0.565	14	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(OBi)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(OBi)(H)	C(CCHO)(F)3	H(CCCO)	108.7298	0.312	10	108.7298	0.098	10	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(OC)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(OC)(H)	C(CCHO)(F)3	H(CCCO)	109.1925	1.050	23	109.1925	1.103	23	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(OH)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(OH)(H)	C(CCHO)(F)3	H(CCCO)	108.6432	1.001	43	108.6432	1.002	43	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(ONb)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(ONb)(H)	C(CCHO)(F)3	H(CCCO)	108.6785	0.186	4	108.6785	0.034	4	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(OP)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(OP)(H)	C(CCHO)(F)3	H(CCCO)	109.2225	0.875	40	109.2225	0.766	40	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)2(OZn)(H)	C(CCHO)(F)3	H(CCCO)	C(CF3)2(OZn)(H)	C(CCHO)(F)3	H(CCCO)	107.4070	0.503	4	107.4070	0.253	4	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CHHS)(CF3)(OH)(H)	C(CCHO)(F)3	H(CCCO)	C(CHHS)(CF3)(OH)(H)	C(CCHO)(F)3	H(CCCO)	108.8610	1.225	3	108.8610	1.500	3	108.8354	0.993	148	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CFFH)(CHHS)(OH)(H)	C(CCHO)(F)2(H)	H(CCCO)	C(CFFH)(CHHS)(OH)(H)	C(CCHO)(F)2(H)	H(CCCO)	108.8715	0.327	2	108.8715	0.107	2	108.8715	0.107	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CCHO)(CFHH)(OH)(H)	C(CCHO)(F)(H)2	H(CCCO)	C(CCHO)(CFHH)(OH)(H)	C(CCHO)(F)(H)2	H(CCCO)	108.3450	0.000	1	108.3450	0.000	1	108.5920	0.695	8	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(F)(H)2	H(CCCO)	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(F)(H)2	H(CCCO)	106.9400	0.000	1	106.9400	0.000	1	108.5920	0.695	8	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)(CHHS)(OH)(H)	C(CCHO)(F)(H)2	H(CCCO)	C(CFHH)(CHHS)(OH)(H)	C(CCHO)(F)(H)2	H(CCCO)	108.3900	0.557	2	108.3900	0.310	2	108.5920	0.695	8	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CFHH)2(OC)(H)	C(CCHO)(F)(H)2	H(CCCO)	C(CFHH)2(OC)(H)	C(CCHO)(F)(H)2	H(CCCO)	109.1677	0.344	4	109.1677	0.119	4	108.5920	0.695	8	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC3)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	108.7320	0.000	1	108.7320	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CCCH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.0247	0.415	6	109.0247	0.172	6	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.2026	1.288	13	108.2026	1.658	13	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	C(CCCH)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	108.7500	0.587	2	108.7500	0.344	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CCCN)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	107.3710	0.000	1	107.3710	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CCCO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.8250	0.000	1	108.8250	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.4895	1.016	87	109.4895	1.031	87	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.6582	2.192	45	108.6582	4.805	45	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(ON)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHH)(CH3)(ON)(H)	C(CCHO)(H)3	H(CCCO)	110.1175	0.136	2	110.1175	0.019	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHH)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	110.0333	0.188	3	110.0333	0.035	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHH)(CH3)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	108.7865	0.030	2	108.7865	0.001	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.3921	0.521	8	109.3921	0.271	8	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	109.1702	1.616	48	109.1702	2.612	48	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHN)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	109.0240	0.376	3	109.0240	0.142	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHN)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	108.9955	0.165	2	108.9955	0.027	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.4242	0.757	13	109.4242	0.573	13	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.5331	1.912	16	108.5331	3.654	16	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHO)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	108.8280	0.697	2	108.8280	0.486	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	108.4770	0.302	3	108.4770	0.091	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCNS)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CCNS)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	106.6600	0.000	1	106.6600	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[3]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.2405	0.725	2	109.2405	0.525	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]CC)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[4]CC)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.6250	0.000	1	109.6250	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(ON)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[4]HH)(CH3)(ON)(H)	C(CCHO)(H)3	H(CCCO)	106.5300	0.000	1	106.5300	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]HO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[4]HO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.7790	0.000	1	109.7790	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]BrH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[5]BrH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.8910	0.000	1	109.8910	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[5]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.8812	0.115	5	109.8812	0.013	5	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.8840	3.694	3	108.8840	13.647	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[5]HO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.0615	0.348	4	109.0615	0.121	4	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.8150	0.000	1	109.8150	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	109.1824	1.068	8	109.1824	1.141	8	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]CH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6]CH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.5630	0.471	2	108.5630	0.222	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.8390	0.000	1	109.8390	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.5980	0.375	2	108.5980	0.140	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2H)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]2H)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	108.8543	2.195	3	108.8543	4.820	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]CH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.3230	0.000	1	108.3230	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]CO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.0810	0.789	3	108.0810	0.622	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	107.9730	0.000	1	107.9730	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	109.0110	0.000	1	109.0110	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.3704	0.423	5	109.3704	0.179	5	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.1471	0.693	9	108.1471	0.480	9	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]HN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	110.0083	0.456	3	110.0083	0.207	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]HO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	108.4190	2.544	2	108.4190	6.473	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]HO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.9155	0.354	2	108.9155	0.126	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.1780	0.000	1	108.1780	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClCH)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	C(CClCH)(CH3)(OS)(H)	C(CCHO)(H)3	H(CCCO)	110.4227	1.962	4	110.4227	3.848	4	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClHH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CClHH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	107.4970	0.000	1	107.4970	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OAl)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OAl)(H)	C(CCHO)(H)3	H(CCCO)	107.8516	3.307	40	107.8516	10.934	40	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OB)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OB)(H)	C(CCHO)(H)3	H(CCCO)	108.9333	0.785	6	108.9333	0.616	6	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.4837	2.590	692	109.4837	6.709	692	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OGe)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OGe)(H)	C(CCHO)(H)3	H(CCCO)	108.0430	1.662	2	108.0430	2.761	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OH)(H)	C(CCHO)(H)3	H(CCCO)	107.4221	3.364	252	107.4221	11.319	252	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OMo)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OMo)(H)	C(CCHO)(H)3	H(CCCO)	108.7929	0.783	36	108.7929	0.613	36	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(ON)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(ON)(H)	C(CCHO)(H)3	H(CCCO)	109.8872	0.657	4	109.8872	0.432	4	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(ONb)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(ONb)(H)	C(CCHO)(H)3	H(CCCO)	109.0970	0.902	6	109.0970	0.813	6	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OP)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OP)(H)	C(CCHO)(H)3	H(CCCO)	109.5182	0.961	691	109.5182	0.923	691	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OPb)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OPb)(H)	C(CCHO)(H)3	H(CCCO)	108.4225	0.069	2	108.4225	0.005	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(ORe)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(ORe)(H)	C(CCHO)(H)3	H(CCCO)	107.5578	0.965	5	107.5578	0.931	5	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OSi)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OSi)(H)	C(CCHO)(H)3	H(CCCO)	109.0344	0.516	7	109.0344	0.266	7	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OSn)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OSn)(H)	C(CCHO)(H)3	H(CCCO)	106.6453	3.798	6	106.6453	14.423	6	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OTa)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OTa)(H)	C(CCHO)(H)3	H(CCCO)	109.3935	1.684	2	109.3935	2.835	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OTi)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OTi)(H)	C(CCHO)(H)3	H(CCCO)	107.4068	3.952	54	107.4068	15.621	54	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.7640	0.000	1	109.7640	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(H)3	H(CCCO)	108.8152	0.074	4	108.8152	0.005	4	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.7282	1.615	13	108.7282	2.607	13	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(OMo)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(CH3)(OMo)(H)	C(CCHO)(H)3	H(CCCO)	109.0610	0.164	2	109.0610	0.027	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	109.5766	0.931	7	109.5766	0.867	7	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(H)3	H(CCCO)	103.1490	7.844	5	103.1490	61.528	5	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.6775	0.352	6	109.6775	0.124	6	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHO)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	109.5715	0.084	2	109.5715	0.007	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHS)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	112.1393	1.311	3	112.1393	1.718	3	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHS)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.8501	0.824	12	108.8501	0.678	12	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(CH3)(ORe)(H)	C(CCHO)(H)3	H(CCCO)	C(CHHS)(CH3)(ORe)(H)	C(CCHO)(H)3	H(CCCO)	112.7040	0.651	2	112.7040	0.423	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5]CH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	108.3800	0.000	1	108.3800	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5]CH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.0415	0.944	2	108.0415	0.891	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	109.2540	0.000	1	109.2540	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5a]HH)(CH3)(OC)(H)	C(CCHO)(H)3	H(CCCO)	109.9675	0.219	4	109.9675	0.048	4	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[5a]HH)(CH3)(OH)(H)	C(CCHO)(H)3	H(CCCO)	108.7758	0.639	6	108.7758	0.408	6	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)(OB)(H)	C(CCHO)(H)3	H(CCCO)	C(CN[6]HH)(CH3)(OB)(H)	C(CCHO)(H)3	H(CCCO)	108.1790	0.000	1	108.1790	0.000	1	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(H)3	H(CCCO)	109.4025	0.209	2	109.4025	0.044	2	109.0693	5.399	2206	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)2(OC)(H)	C(CCHO)(H)2(O)	H(CCCO)	C(CHHO)2(OC)(H)	C(CCHO)(H)2(O)	H(CCCO)	104.9130	0.000	1	104.9130	0.000	1	106.5285	5.220	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CHHO)2(OH)(H)	C(CCHO)(H)2(O)	H(CCCO)	C(CHHO)2(OH)(H)	C(CCHO)(H)2(O)	H(CCCO)	108.1440	0.000	1	108.1440	0.000	1	106.5285	5.220	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	C(CCHH)(CH3)(SC)(H)	C(CCHS)(H)3	H(CCCS)	107.0876	1.807	8	107.0876	3.266	8	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(SRe)(H)	C(CCHS)(H)3	H(CCCS)	C(CCHH)(CH3)(SRe)(H)	C(CCHS)(H)3	H(CCCS)	108.0000	0.000	1	108.0000	0.000	1	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(SZn)(H)	C(CCHS)(H)3	H(CCCS)	C(CCHH)(CH3)(SZn)(H)	C(CCHS)(H)3	H(CCCS)	101.9670	0.000	1	101.9670	0.000	1	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(SS)(H)	C(CCHS)(H)3	H(CCCS)	C(CCHN)(CH3)(SS)(H)	C(CCHS)(H)3	H(CCCS)	106.5595	0.720	4	106.5595	0.518	4	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SB)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SB)(H)	C(CCHS)(H)3	H(CCCS)	108.4010	0.010	2	108.4010	0.000	2	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SC)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SC)(H)	C(CCHS)(H)3	H(CCCS)	108.9270	0.217	12	108.9270	0.047	12	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SFe)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SFe)(H)	C(CCHS)(H)3	H(CCCS)	102.4746	4.739	4	102.4746	22.462	4	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SIr)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SIr)(H)	C(CCHS)(H)3	H(CCCS)	109.4958	0.244	4	109.4958	0.060	4	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SMo)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SMo)(H)	C(CCHS)(H)3	H(CCCS)	108.6515	0.352	4	108.6515	0.124	4	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SP)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SP)(H)	C(CCHS)(H)3	H(CCCS)	110.1310	0.035	2	110.1310	0.001	2	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SW)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SW)(H)	C(CCHS)(H)3	H(CCCS)	107.7835	0.042	2	107.7835	0.002	2	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(SNi)(H)	C(CCHS)(H)3	H(CCCS)	C(CHHN)(CH3)(SNi)(H)	C(CCHS)(H)3	H(CCCS)	108.8053	0.149	3	108.8053	0.022	3	107.6929	6.399	47	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:N-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NC3)(CC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(NC3)(CC)(H)	C(CCHN)(H)3	H(CCCN)	107.3765	0.364	2	107.3765	0.133	2	107.3765	0.133	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:P-4:N-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCl3)(PO3)(NC)(H)	C(CHNP)(Cl)3	H(CCNP)	C(CCl3)(PO3)(NC)(H)	C(CHNP)(Cl)3	H(CCNP)	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:P-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	H(CCOP)	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	H(CCOP)	109.2350	0.236	2	109.2350	0.056	2	109.2350	0.056	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3,5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	C(CC[3,5]HO)(H)3	H(CC[3,5]CO)	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	C(CC[3,5]HO)(H)3	H(CC[3,5]CO)	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	C(CC[3]HN)(H)3	H(CC[3]CN)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	C(CC[3]HN)(H)3	H(CC[3]CN)	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	C(C[3]C[3]2H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	109.8423	0.613	4	109.8423	0.376	4	109.7248	0.470	10	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CH3)(OH)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	C(C[3]C[3]2H)(CH3)(OH)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	109.6930	0.000	1	109.6930	0.000	1	109.7248	0.470	10	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	108.9880	0.000	1	108.9880	0.000	1	109.7248	0.470	10	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	110.3700	0.000	1	110.3700	0.000	1	109.7248	0.470	10	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	109.0355	0.271	2	109.0355	0.073	2	109.7248	0.470	10	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	C(CC[3]HO)(H)3	H(CC[3]CO)	110.7570	0.000	1	110.7570	0.000	1	109.7248	0.470	10	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3x6]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	107.7448	0.392	5	107.7448	0.154	5	107.7448	0.154	5	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3x6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	H(CC[3x6]CO)	C(C[3x6]C[6,6,6a]2C[3x6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	H(CC[3x6]CO)	107.9095	0.062	2	107.9095	0.004	2	107.9742	0.036	8	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[3x6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	H(CC[3x6]CO)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(OC)(H)	C(CC[3x6]HO)(H)3	H(CC[3x6]CO)	107.9958	0.216	6	107.9958	0.047	6	107.9742	0.036	8	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[4]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	C(CC[4]HN)(H)3	H(CC[4]CN)	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	C(CC[4]HN)(H)3	H(CC[4]CN)	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[4]C[4]N[4]H)(CF3)(OH)(H)	C(CC[4]HO)(F)3	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CF3)(OH)(H)	C(CC[4]HO)(F)3	H(CC[4]CO)	109.3835	0.186	4	109.3835	0.034	4	109.3835	0.034	4	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4,5]C[4]H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	109.6025	0.483	8	109.6025	0.233	8	109.2889	0.331	16	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	108.7840	0.000	1	108.7840	0.000	1	109.2889	0.331	16	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4]2H)(CH3)(OH)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	109.0065	0.586	6	109.0065	0.343	6	109.2889	0.331	16	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	C(C[4]C[4]2H)(CH3)(OSi)(H)	C(CC[4]HO)(H)3	H(CC[4]CO)	108.9790	0.000	1	108.9790	0.000	1	109.2889	0.331	16	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C(CC[5,5,6]HO)(H)3	H(CC[5,5,6]CO)	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C(CC[5,5,6]HO)(H)3	H(CC[5,5,6]CO)	107.8545	0.230	2	107.8545	0.053	2	107.8545	0.053	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	H(CC[5,6]CO)	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	H(CC[5,6]CO)	109.1400	0.000	1	109.1400	0.000	1	108.6458	0.276	4	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C(CC[5,6]HO)(H)3	H(CC[5,6]CO)	108.4810	0.501	3	108.4810	0.251	3	108.6458	0.276	4	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(CC)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(CC)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6248	0.327	4	107.6248	0.107	4	107.6824	0.097	5	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(CN)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(CN)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.9130	0.000	1	107.9130	0.000	1	107.6824	0.097	5	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(NS)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(CH3)(NS)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	C(CC[5]HO)(Cl)(H)2	H(CC[5]CO)	C(C[5]C[5]2Fe)(CClHH)(OH)(H)	C(CC[5]HO)(Cl)(H)2	H(CC[5]CO)	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C(CC[5]HO)(F)3	H(CC[5]CO)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C(CC[5]HO)(F)3	H(CC[5]CO)	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	107.9060	0.000	1	107.9060	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.3940	0.000	1	108.3940	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.5580	0.000	1	109.5580	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.8550	0.000	1	108.8550	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.2050	0.095	2	109.2050	0.009	2	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	107.9520	0.000	1	107.9520	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.3589	0.611	9	109.3589	0.374	9	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.7012	0.636	6	108.7012	0.405	6	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	107.6550	0.000	1	107.6550	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.9970	0.000	1	108.9970	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.2350	0.000	1	108.2350	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.4035	1.132	6	108.4035	1.282	6	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]2Fe)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.5940	0.643	9	109.5940	0.414	9	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]2Fe)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.8836	0.889	9	108.8836	0.791	9	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.1333	0.348	6	109.1333	0.121	6	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.4433	0.683	6	108.4433	0.467	6	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OSi)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OSi)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.2470	0.000	1	108.2470	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]2O)(CH3)(OC)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.6420	0.000	1	108.6420	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	108.5718	0.358	6	108.5718	0.129	6	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	109.0080	0.000	1	109.0080	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	107.3358	3.242	6	107.3358	10.513	6	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C(CC[5]HO)(H)3	H(CC[5]CO)	107.9680	0.000	1	107.9680	0.000	1	108.7518	1.401	77	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C(CC[5]HO)(H)2(I)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C(CC[5]HO)(H)2(I)	H(CC[5]CO)	107.9460	0.010	2	107.9460	0.000	2	107.9460	0.000	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[5]-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	C(CC[5]HS)(H)3	H(CC[5]CS)	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	C(CC[5]HS)(H)3	H(CC[5]CS)	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6]2)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	H(CC[6,6]CO)	107.9044	0.984	5	107.9044	0.969	5	107.8990	0.775	6	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	H(CC[6,6]CO)	C(C[6,6]C[4x6]C[6,6]H)(CH3)(OH)(H)	C(CC[6,6]HO)(H)3	H(CC[6,6]CO)	107.8720	0.000	1	107.8720	0.000	1	107.8990	0.775	6	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.4415	0.060	2	108.4415	0.004	2	108.4415	0.004	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(NC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(CH3)(NC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.9705	0.513	2	108.9705	0.263	2	109.1193	0.198	3	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.4170	0.000	1	109.4170	0.000	1	109.1193	0.198	3	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CClHH)(OH)(H)	C(CC[6]HO)(Cl)(H)2	H(CC[6]CO)	C(C[6]C[6]2C)(CClHH)(OH)(H)	C(CC[6]HO)(Cl)(H)2	H(CC[6]CO)	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6]2H)(CF3)(OC)(H)	C(CC[6]HO)(F)3	H(CC[6]CO)	C(C[6]C[6]2H)(CF3)(OC)(H)	C(CC[6]HO)(F)3	H(CC[6]CO)	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.5270	0.000	1	108.5270	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[5,6]O[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.5220	0.000	1	109.5220	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6,6]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.5907	0.754	3	108.5907	0.569	3	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6,6a]C[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.1050	0.000	1	109.1050	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2C)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.0993	0.356	6	108.0993	0.127	6	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2Cr)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.0642	0.486	6	109.0642	0.236	6	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2Cr)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.7020	0.000	1	109.7020	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	107.8717	0.846	3	107.8717	0.716	3	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(OSi)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2H)(CH3)(OSi)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.5200	0.000	1	108.5200	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.6450	0.000	1	108.6450	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2Ru)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.5735	0.708	2	108.5735	0.501	2	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]2Ru)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.1880	0.252	6	109.1880	0.064	6	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	111.5960	0.000	1	111.5960	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	113.0880	0.000	1	113.0880	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.5920	0.969	2	109.5920	0.938	2	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	109.0720	0.000	1	109.0720	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	C(C[6]C[6]O[6]O)(CH3)(OC)(H)	C(CC[6]HO)(H)3	H(CC[6]CO)	108.8080	0.000	1	108.8080	0.000	1	108.9582	1.119	38	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	P-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIrCC)(CH3)(CH)(H)	C(CCHP)(H)3	H(CCCP)	C(PIrCC)(CH3)(CH)(H)	C(CCHP)(H)3	H(CCCP)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	P-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCH)(CH3)(OC)(H)	C(CHOP)(H)3	H(CCOP)	C(PCCH)(CH3)(OC)(H)	C(CHOP)(H)3	H(CCOP)	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	S-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]OO)(CH3)(CC)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]OO)(CH3)(CC)(H)	C(CCHS)(H)3	H(CCCS)	108.5110	0.000	1	108.5110	0.000	1	107.9075	0.728	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:1:1:1:	4:	S-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]OO)(CH3)(CN)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]OO)(CH3)(CN)(H)	C(CCHS)(H)3	H(CCCS)	107.3040	0.000	1	107.3040	0.000	1	107.9075	0.728	2	108.9880	4.491	2903	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(CC)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]HO)(CHHO)(CC)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.9050	0.383	2	107.9050	0.147	2	107.9050	0.147	2	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(NC)(H)	C(CCHN)(NC)(H)2	H(CCCN)	C(CC[6a]HH)(CHHN)(NC)(H)	C(CCHN)(NC)(H)2	H(CCCN)	109.3830	0.000	1	109.3830	0.000	1	109.5074	0.061	5	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	H(CCCN)	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	H(CCCN)	109.5385	0.274	4	109.5385	0.075	4	109.5074	0.061	5	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	109.5103	0.146	3	109.5103	0.021	3	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.6287	0.313	8	108.6287	0.098	8	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.0550	0.118	3	109.0550	0.014	3	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.0120	0.714	2	109.0120	0.510	2	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HO)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.7170	0.000	1	108.7170	0.000	1	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	H(CCCN)	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	H(CCCN)	107.2540	0.781	5	107.2540	0.610	5	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CH3)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.2120	0.000	1	109.2120	0.000	1	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.3080	0.000	1	108.3080	0.000	1	108.5524	0.723	24	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SC)(H)2	H(CCCN)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SC)(H)2	H(CCCN)	107.3810	0.000	1	107.3810	0.000	1	107.8290	0.401	2	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SS)(H)2	H(CCCN)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SS)(H)2	H(CCCN)	108.2770	0.000	1	108.2770	0.000	1	107.8290	0.401	2	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CN)(H)2	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CN)(H)2	H(CCCO)	107.2250	1.335	7	107.2250	1.781	7	107.6536	2.060	9	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)(CC)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)(CC)(H)2	H(CCCO)	109.1535	0.081	2	109.1535	0.007	2	107.6536	2.060	9	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	H(CCCO)	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	H(CCCO)	109.4770	0.000	1	109.4770	0.000	1	108.6732	1.241	19	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NC)(H)2	H(CCCO)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NC)(H)2	H(CCCO)	109.9593	0.006	3	109.9593	0.000	3	108.6732	1.241	19	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NC)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NC)(H)2	H(CCCO)	108.6055	0.979	12	108.6055	0.959	12	108.6732	1.241	19	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NPt)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NPt)(H)2	H(CCCO)	107.1630	0.000	1	107.1630	0.000	1	108.6732	1.241	19	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CN[5]HH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	H(CCCO)	C(CN[5]HH)(CHHN)(OH)(H)	C(CCHO)(NC)(H)2	H(CCCO)	107.5035	1.057	2	107.5035	1.118	2	108.6732	1.241	19	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.2673	3.063	3	108.2673	9.380	3	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	107.5500	0.000	1	107.5500	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.5588	0.896	4	108.5588	0.803	4	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OSi)(H)2	H(CCCO)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OSi)(H)2	H(CCCO)	108.0115	0.033	2	108.0115	0.001	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCCH)(CHHO)(OSi)(H)	C(CCHO)(OC)(H)2	H(CCCO)	107.3580	0.000	1	107.3580	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCCN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.6640	0.000	1	108.6640	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.1750	0.000	1	109.1750	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.7250	0.098	2	108.7250	0.010	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	107.1340	0.000	1	107.1340	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCCO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.1155	0.360	2	108.1155	0.130	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCFF)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCFF)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.6120	0.000	1	109.6120	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.0887	0.352	3	109.0887	0.124	3	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	H(CCCO)	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	H(CCCO)	106.6260	0.000	1	106.6260	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCHH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.2260	0.000	1	109.2260	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OSi)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCHH)(CHHO)(OSi)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.3940	0.000	1	108.3940	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.6180	0.000	1	108.6180	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.5065	1.262	2	108.5065	1.593	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.2915	1.901	32	108.2915	3.613	32	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.8517	0.776	9	109.8517	0.602	9	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	H(CCCO)	110.0995	0.346	2	110.0995	0.120	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.2140	1.255	4	108.2140	1.575	4	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.4528	1.428	73	108.4528	2.039	73	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(ON)(H)2	H(CCCO)	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(ON)(H)2	H(CCCO)	109.8435	0.110	2	109.8435	0.012	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OS)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCHO)(CHHO)(OS)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.5910	0.453	4	108.5910	0.205	4	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[3]CH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[3]CH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.4220	0.000	1	109.4220	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[3x6]HN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CC[3x6]HN)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.4380	0.000	1	108.4380	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[4]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[4]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	110.5430	0.000	1	110.5430	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CC[5]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	107.6340	0.000	1	107.6340	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.2200	0.284	2	108.2200	0.081	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CC[5]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.1883	1.545	3	109.1883	2.386	3	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]CH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CC[6]CH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.3580	0.000	1	109.3580	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.1407	0.850	7	109.1407	0.722	7	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]2H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[6a]2H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	106.9010	0.000	1	106.9010	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[6a]HH)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	110.6470	0.000	1	110.6470	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CC[6a]HO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	110.1505	0.457	2	110.1505	0.209	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HP)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[6a]HP)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.3857	0.403	3	108.3857	0.162	3	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HP)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[6a]HP)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	H(CCCO)	107.7470	0.000	1	107.7470	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HS)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[6a]HS)(CHHO)(OP)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.1396	0.069	5	109.1396	0.005	5	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	107.5260	0.000	1	107.5260	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CClCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CClCH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.0340	0.000	1	108.0340	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.6620	0.812	3	108.6620	0.659	3	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.4150	1.946	2	109.4150	3.787	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.6813	0.350	6	109.6813	0.123	6	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CHNN)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CHHO)(CHNN)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.7910	0.000	1	109.7910	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CHHO)2(OC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	109.1480	0.000	1	109.1480	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	109.5220	0.625	2	109.5220	0.391	2	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CHHO)2(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.3472	0.845	23	108.3472	0.715	23	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5]HH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CN[5]HH)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	H(CCCO)	108.5350	0.000	1	108.5350	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CN[6]HH)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	H(CCCO)	106.9370	0.000	1	106.9370	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CSiCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	C(CSiCO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	H(CCCO)	108.2830	0.000	1	108.2830	0.000	1	108.6148	1.790	227	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(SSn)(H)2	H(CCCO)	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(SSn)(H)2	H(CCCO)	108.6545	0.218	2	108.6545	0.048	2	109.6965	2.716	10	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(SRe)(H)2	H(CCCO)	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(SRe)(H)2	H(CCCO)	110.1850	0.000	1	110.1850	0.000	1	109.6965	2.716	10	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(SC)(H)2	H(CCCO)	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(SC)(H)2	H(CCCO)	108.8940	0.000	1	108.8940	0.000	1	109.6965	2.716	10	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(SC)(H)2	H(CCCO)	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(SC)(H)2	H(CCCO)	108.5423	0.535	3	108.5423	0.286	3	109.6965	2.716	10	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(SC)(H)2	H(CCCO)	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(SC)(H)2	H(CCCO)	109.8220	0.000	1	109.8220	0.000	1	109.6965	2.716	10	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(CH3)(ORe)(H)	C(CCHO)(SRe)(H)2	H(CCCO)	C(CHHS)(CH3)(ORe)(H)	C(CCHO)(SRe)(H)2	H(CCCO)	112.5640	0.556	2	112.5640	0.309	2	109.6965	2.716	10	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(SeC)(H)2	H(CCCO)	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(SeC)(H)2	H(CCCO)	109.3560	0.000	1	109.3560	0.000	1	109.3560	0.000	1	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[3,5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	C(CC[3,5]HO)(OC)(H)2	H(CC[3,5]CO)	C(C[3,5]C[3,5]C[3]C[5])(CHHO)(OC)(H)	C(CC[3,5]HO)(OC)(H)2	H(CC[3,5]CO)	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CHHO)(OH)(H)	C(CC[3]HO)(OC)(H)2	H(CC[3]CO)	C(C[3]C[3]2H)(CHHO)(OH)(H)	C(CC[3]HO)(OC)(H)2	H(CC[3]CO)	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[4,5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	C(CC[4,5]HO)(OH)(H)2	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]O[5])(CHHO)(OH)(H)	C(CC[4,5]HO)(OH)(H)2	H(CC[4,5]CO)	108.8430	0.150	2	108.8430	0.022	2	108.8430	0.022	2	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	C(CC[4]HO)(OH)(H)2	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CHHO)(OH)(H)	C(CC[4]HO)(OH)(H)2	H(CC[4]CO)	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C(CC[5,6]HO)(OC)(H)2	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C(CC[5,6]HO)(OC)(H)2	H(CC[5,6]CO)	108.6160	0.000	1	108.6160	0.000	1	108.1400	0.168	4	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C(CC[5,6]HO)(OH)(H)2	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C(CC[5,6]HO)(OH)(H)2	H(CC[5,6]CO)	107.9813	0.317	3	107.9813	0.101	3	108.1400	0.168	4	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	H(CC[5]CN)	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	H(CC[5]CN)	109.4560	0.000	1	109.4560	0.000	1	109.1870	0.195	7	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	H(CC[5]CN)	109.1500	0.000	1	109.1500	0.000	1	109.1870	0.195	7	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OH)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OH)(H)2	H(CC[5]CN)	109.1406	0.520	5	109.1406	0.271	5	109.1870	0.195	7	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	108.4460	0.315	3	108.4460	0.099	3	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	107.5740	0.000	1	107.5740	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	107.6550	0.000	1	107.6550	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	108.3660	0.468	3	108.3660	0.219	3	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	107.3755	0.441	2	107.3755	0.194	2	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	108.7840	0.000	1	108.7840	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	109.1640	0.000	1	109.1640	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	108.9520	0.263	2	108.9520	0.069	2	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	108.2990	0.000	1	108.2990	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	108.5665	0.078	2	108.5665	0.006	2	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	109.0953	0.386	3	109.0953	0.149	3	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	H(CC[5]CO)	107.8030	0.000	1	107.8030	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	108.9682	0.919	8	108.9682	0.845	8	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	108.7500	0.000	1	108.7500	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	108.0410	0.351	2	108.0410	0.123	2	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC[5])(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OC[5])(H)2	H(CC[5]CO)	109.0350	0.000	1	109.0350	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	108.8390	0.934	36	108.8390	0.872	36	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OS)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OS)(H)2	H(CC[5]CO)	101.3530	1.372	2	101.3530	1.882	2	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OSi)(H)2	H(CC[5]CO)	109.4290	0.000	1	109.4290	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	109.6490	0.000	1	109.6490	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C(CC[5]HO)(OC)(H)2	H(CC[5]CO)	108.5630	0.000	1	108.5630	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C(CC[5]HO)(OH)(H)2	H(CC[5]CO)	107.8510	0.000	1	107.8510	0.000	1	108.5174	2.131	75	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C(CC[5]HO)(SH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C(CC[5]HO)(SH)(H)2	H(CC[5]CO)	109.0460	0.000	1	109.0460	0.000	1	109.0460	0.000	1	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	H(CC[6]CO)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	H(CC[6]CO)	107.4834	0.787	18	107.4834	0.620	18	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	C(CC[6]HO)(OS)(H)2	H(CC[6]CO)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	C(CC[6]HO)(OS)(H)2	H(CC[6]CO)	110.1080	0.000	1	110.1080	0.000	1	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	H(CC[6]CO)	C(C[6]C[6]2C)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	H(CC[6]CO)	107.9970	0.400	4	107.9970	0.160	4	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	C(CC[6]HO)(OP)(H)2	H(CC[6]CO)	C(C[6]C[6]2Ru)(CHHO)(OC)(H)	C(CC[6]HO)(OP)(H)2	H(CC[6]CO)	108.2880	0.545	5	108.2880	0.297	5	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	108.9810	0.000	1	108.9810	0.000	1	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	C(CC[6]HO)(OSi)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	C(CC[6]HO)(OSi)(H)2	H(CC[6]CO)	107.5420	0.000	1	107.5420	0.000	1	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	107.5510	0.000	1	107.5510	0.000	1	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	108.4360	0.692	2	108.4360	0.478	2	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OSi)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OC)(H)	C(CC[6]HO)(OSi)(H)2	H(CC[6]CO)	109.2300	0.000	1	109.2300	0.000	1	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OC)(H)2	H(CC[6]CO)	107.4825	0.687	2	107.4825	0.471	2	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHO)(OH)(H)	C(CC[6]HO)(OH)(H)2	H(CC[6]CO)	109.2637	0.695	3	109.2637	0.483	3	107.9787	0.852	39	108.5620	1.690	430	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)(OH)(H)	H(CCCO)	110.6940	0.000	1	110.6940	0.000	1	109.8995	1.262	2	109.8995	1.262	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:2:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)(OC)(H)	H(CCCO)	109.1050	0.000	1	109.1050	0.000	1	109.8995	1.262	2	109.8995	1.262	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NC)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CCHH)(CHHN)(NC)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	108.4710	0.000	1	108.4710	0.000	1	108.4750	1.823	3	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NS)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(CCHH)(CHHN)(NS)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	109.8270	0.000	1	109.8270	0.000	1	108.4750	1.823	3	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(CCHN)(NCS)(H)2	H(CCCN)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(CCHN)(NCS)(H)2	H(CCCN)	107.1270	0.000	1	107.1270	0.000	1	108.4750	1.823	3	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(SCO)(H)2	H(CCCN)	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(SCO)(H)2	H(CCCN)	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	H(CCCO)	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	H(CCCO)	109.6760	0.307	5	109.6760	0.094	5	109.5023	0.256	6	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)2(OH)(H)	C(CCHO)(CCH)(Cl)(H)	H(CCCO)	C(CClCH)2(OH)(H)	C(CCHO)(CCH)(Cl)(H)	H(CCCO)	108.6340	0.000	1	108.6340	0.000	1	109.5023	0.256	6	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	108.0900	0.000	1	108.0900	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.7410	0.433	4	108.7410	0.188	4	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	110.1550	0.000	1	110.1550	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.6040	0.000	1	108.6040	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	108.3450	0.000	1	108.3450	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	107.0290	0.000	1	107.0290	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.2404	1.148	7	108.2404	1.318	7	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCFF)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCFF)(CCHH)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	109.3800	0.000	1	109.3800	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	108.2217	0.669	3	108.2217	0.447	3	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.2168	0.997	6	108.2168	0.993	6	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	116.1160	0.000	1	116.1160	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.9400	0.000	1	108.9400	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	107.5570	0.000	1	107.5570	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.8460	0.602	7	108.8460	0.362	7	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.3740	0.725	2	109.3740	0.526	2	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	110.7215	0.009	2	110.7215	0.000	2	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	107.8053	0.835	3	107.8053	0.697	3	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	108.5050	1.118	4	108.5050	1.250	4	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	104.5430	0.000	1	104.5430	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.4288	1.006	13	109.4288	1.012	13	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	107.8935	2.050	2	107.8935	4.202	2	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	H(CCCO)	109.7686	0.561	5	109.7686	0.315	5	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.2850	0.000	1	109.2850	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	109.4650	0.000	1	109.4650	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(ON)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	C(CCHH)(CH3)(ON)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	110.1495	0.234	2	110.1495	0.055	2	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(COO)(H)2	H(CCCO)	110.6370	0.621	2	110.6370	0.385	2	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	109.0642	1.228	5	109.0642	1.508	5	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.3460	0.000	1	108.3460	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	106.6500	0.000	1	106.6500	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.1538	0.361	6	109.1538	0.130	6	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	108.9640	0.669	3	108.9640	0.447	3	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	107.6744	2.074	5	107.6744	4.303	5	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)(CCO)(H)2	H(CCCO)	107.4823	0.774	4	107.4823	0.598	4	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	109.3475	0.532	2	109.3475	0.284	2	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)(COO)(H)2	H(CCCO)	108.7465	1.218	4	108.7465	1.484	4	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(ON)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	C(CCHH)2(ON)(H)	C(CCHO)(CCC)(H)2	H(CCCO)	109.0350	0.000	1	109.0350	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(ON)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	C(CCHH)2(ON)(H)	C(CCHO)(CNO)(H)2	H(CCCO)	109.0140	0.000	1	109.0140	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CCHH)2(OSi)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.3050	0.000	1	108.3050	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(OSi)(H)	C(CCHO)(CHN)(H)2	H(CCCO)	C(CCHH)2(OSi)(H)	C(CCHO)(CHN)(H)2	H(CCCO)	109.1320	0.000	1	109.1320	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	107.5075	0.923	2	107.5075	0.852	2	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	109.0290	0.000	1	109.0290	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	H(CCCO)	108.9600	0.000	1	108.9600	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CIrHH)(CCHH)(OC)(H)	C(CCHO)(CIrO)(H)2	H(CCCO)	C(CIrHH)(CCHH)(OC)(H)	C(CCHO)(CIrO)(H)2	H(CCCO)	108.2490	0.000	1	108.2490	0.000	1	108.8009	1.902	114	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	109.0575	0.026	2	109.0575	0.001	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCS)(H)2	H(CCCO)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(NCS)(H)2	H(CCCO)	109.9005	0.173	2	109.9005	0.030	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCFH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CCFH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	109.7860	0.223	4	109.7860	0.050	4	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	110.4040	1.769	2	110.4040	3.130	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	108.9397	1.200	7	108.9397	1.440	7	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(OH)(H)	C(CCHO)(NCS)(H)2	H(CCCO)	C(CCHN)(CHHN)(OH)(H)	C(CCHO)(NCS)(H)2	H(CCCO)	108.2223	0.950	3	108.2223	0.902	3	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	110.3980	0.000	1	110.3980	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	109.2805	0.315	2	109.2805	0.099	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	107.9395	1.149	4	107.9395	1.319	4	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	108.4563	0.670	3	108.4563	0.449	3	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	106.6390	0.000	1	106.6390	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CC[5]HH)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	108.0500	0.000	1	108.0500	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5]HO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CC[5]HO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	108.1500	0.000	1	108.1500	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	106.4300	0.000	1	106.4300	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	109.8780	0.000	1	109.8780	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CC[6a]HH)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	108.7865	0.531	2	108.7865	0.282	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(NHS)(H)2	H(CCCO)	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(NHS)(H)2	H(CCCO)	108.8790	0.000	1	108.8790	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	108.8110	0.073	4	108.8110	0.005	4	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	109.1043	0.199	3	109.1043	0.040	3	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	107.1098	1.530	4	107.1098	2.342	4	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(OMo)(H)	C(CCHO)(NMoC)(H)2	H(CCCO)	C(CHHN)(CH3)(OMo)(H)	C(CCHO)(NMoC)(H)2	H(CCCO)	109.0770	0.151	2	109.0770	0.023	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	108.6495	1.896	2	108.6495	3.594	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	109.9270	0.423	2	109.9270	0.179	2	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	102.9654	7.733	5	102.9654	59.798	5	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NFeC)(H)2	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NFeC)(H)2	H(CCCO)	107.7100	0.000	1	107.7100	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	108.1810	0.000	1	108.1810	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	108.8055	0.781	4	108.8055	0.611	4	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	108.4970	0.615	3	108.4970	0.378	3	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(NCN)(H)2	H(CCCO)	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(NCN)(H)2	H(CCCO)	109.7500	0.000	1	109.7500	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NCC)(H)2	H(CCCO)	110.1522	2.203	5	110.1522	4.854	5	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	H(CCCO)	108.7901	0.676	19	108.7901	0.457	19	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NHS)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NHS)(H)2	H(CCCO)	109.0810	0.000	1	109.0810	0.000	1	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NMnC)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NMnC)(H)2	H(CCCO)	107.6195	0.296	4	107.6195	0.088	4	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NNiC)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NNiC)(H)2	H(CCCO)	107.1925	0.871	8	107.1925	0.759	8	108.4033	5.117	107	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(SCO)(H)2	H(CCCO)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(SCO)(H)2	H(CCCO)	108.3060	0.000	1	108.3060	0.000	1	108.7356	2.180	27	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	H(CCCO)	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	H(CCCO)	109.5837	0.237	18	109.5837	0.056	18	108.7356	2.180	27	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(OH)(H)	C(CCHO)(SFe2)(H)2	H(CCCO)	C(CHHS)2(OH)(H)	C(CCHO)(SFe2)(H)2	H(CCCO)	109.2535	0.033	2	109.2535	0.001	2	108.7356	2.180	27	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	H(CCCO)	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	H(CCCO)	106.0903	0.119	6	106.0903	0.014	6	108.7356	2.180	27	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(SC)(H)	C(CCHS)(CNO)(H)2	H(CCCS)	C(CCHH)(CCHN)(SC)(H)	C(CCHS)(CNO)(H)2	H(CCCS)	107.8420	0.000	1	107.8420	0.000	1	107.8420	0.000	1	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(SC)(H)	C(CCHS)(NOO)(H)2	H(CCCS)	C(CCHO)(CHHN)(SC)(H)	C(CCHS)(NOO)(H)2	H(CCCS)	107.4000	0.000	1	107.4000	0.000	1	107.4000	0.000	1	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(COO)(H)2	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(COO)(H)2	H(CC[3]CO)	108.3750	0.000	1	108.3750	0.000	1	108.8950	0.163	4	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]2S)(CCHH)(OH)(H)	C(CC[3]HO)(CCO)(H)2	H(CC[3]CO)	C(C[3]C[3]2S)(CCHH)(OH)(H)	C(CC[3]HO)(CCO)(H)2	H(CC[3]CO)	109.1450	0.307	2	109.1450	0.094	2	108.8950	0.163	4	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CC[6]C)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CC[6]C)(H)2	H(CC[3]CO)	108.9150	0.000	1	108.9150	0.000	1	108.8950	0.163	4	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4]2S)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	H(CC[4]CO)	C(C[4]C[4]2S)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	H(CC[4]CO)	109.4880	0.000	1	109.4880	0.000	1	106.9920	12.460	2	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CCO)(H)2	H(CC[4]CO)	104.4960	0.000	1	104.4960	0.000	1	106.9920	12.460	2	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C(CC[5,6]HO)(CCH)(H)2	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C(CC[5,6]HO)(CCH)(H)2	H(CC[5,6]CO)	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C(CC[5,6]HO)(NCC)(H)2	H(CC[5,6]CO)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C(CC[5,6]HO)(NCC)(H)2	H(CC[5,6]CO)	108.8615	0.203	4	108.8615	0.041	4	108.8615	0.041	4	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:C-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	C(CC[5]HN)(NOO)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	C(CC[5]HN)(NOO)(H)2	H(CC[5]CN)	109.4150	0.000	1	109.4150	0.000	1	109.4150	0.000	1	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCH)(H)2	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCH)(H)2	H(CC[5]CO)	109.2190	0.000	1	109.2190	0.000	1	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CCH)(H)2	H(CC[5]CO)	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CCH)(H)2	H(CC[5]CO)	109.5045	0.005	2	109.5045	0.000	2	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CCC)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CCC)(H)2	H(CC[5]CO)	107.7110	0.230	4	107.7110	0.053	4	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[5]C)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[5]C)(H)2	H(CC[5]CO)	110.4624	1.473	5	110.4624	2.169	5	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[6]C)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C(CC[5]HO)(CC[6]C)(H)2	H(CC[5]CO)	109.6300	0.000	1	109.6300	0.000	1	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[5]C)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[5]C)(H)2	H(CC[5]CO)	109.5313	1.506	3	109.5313	2.267	3	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCO)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCO)(H)2	H(CC[5]CO)	108.8310	0.000	1	108.8310	0.000	1	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCO)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCO)(H)2	H(CC[5]CO)	108.6620	0.000	1	108.6620	0.000	1	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[6a]O)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CC[6a]O)(H)2	H(CC[5]CO)	109.3105	0.245	2	109.3105	0.060	2	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(COO)(H)2	H(CC[5]CO)	109.3260	3.388	2	109.3260	11.482	2	109.2897	2.036	22	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHN)(OH)(H)	C(CC[5]HO)(NCH)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CHHN)(OH)(H)	C(CC[5]HO)(NCH)(H)2	H(CC[5]CO)	108.9120	0.038	2	108.9120	0.001	2	108.6778	0.340	4	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C(CC[5]HO)(NCC)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C(CC[5]HO)(NCC)(H)2	H(CC[5]CO)	108.4435	0.894	2	108.4435	0.800	2	108.6778	0.340	4	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[5]-4:C-4:S-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(SS)(H)	C(CC[5]HS)(CC[6a]O)(H)2	H(CC[5]CS)	C(C[5]C[5]2Fe)(CCHH)(SS)(H)	C(CC[5]HS)(CC[6a]O)(H)2	H(CC[5]CS)	107.5950	0.670	2	107.5950	0.449	2	107.5950	0.449	2	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C(CC[6,6]HO)(CCH)(H)2	H(CC[6,6]CO)	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(OH)(H)	C(CC[6,6]HO)(CCH)(H)2	H(CC[6,6]CO)	108.7762	0.322	5	108.7762	0.103	5	108.7762	0.103	5	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCC)(H)2	H(CC[6]CO)	C(C[6]C[5,6,6]C[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCC)(H)2	H(CC[6]CO)	109.3060	0.041	2	109.3060	0.002	2	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(COO)(H)2	H(CC[6]CO)	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(COO)(H)2	H(CC[6]CO)	107.7870	0.000	1	107.7870	0.000	1	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	H(CC[6]CO)	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	H(CC[6]CO)	107.2780	0.000	1	107.2780	0.000	1	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	H(CC[6]CO)	C(C[6]C[6]2C)(CCHH)(OH)(H)	C(CC[6]HO)(CCC)(H)2	H(CC[6]CO)	105.1410	0.000	1	105.1410	0.000	1	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC[5a]O)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC[5a]O)(H)2	H(CC[6]CO)	109.1510	0.000	1	109.1510	0.000	1	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCH)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCH)(H)2	H(CC[6]CO)	110.0920	0.000	1	110.0920	0.000	1	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCH)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCH)(H)2	H(CC[6]CO)	107.4560	0.000	1	107.4560	0.000	1	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	C(CC[6]HO)(CNO)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]O)(CCHH)(OC)(H)	C(CC[6]HO)(CNO)(H)2	H(CC[6]CO)	107.8520	0.000	1	107.8520	0.000	1	108.1521	2.246	9	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(OH)(H)	C(CC[6]HO)(NCC)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CHHN)(OH)(H)	C(CC[6]HO)(NCC)(H)2	H(CC[6]CO)	109.1760	0.000	1	109.1760	0.000	1	109.3805	0.084	2	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NOO)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NOO)(H)2	H(CC[6]CO)	109.5850	0.000	1	109.5850	0.000	1	109.3805	0.084	2	108.6545	2.982	318	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(CCH)(NN)(H)	H(CCCO)	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(CCH)(NN)(H)	H(CCCO)	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	109.1790	0.000	1	109.1790	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCO)(CCHO)(OSi)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	C(CCCO)(CCHO)(OSi)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	105.3900	0.000	1	105.3900	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	109.4818	0.530	4	109.4818	0.281	4	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	109.3870	0.000	1	109.3870	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	109.0710	2.776	2	109.0710	7.707	2	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	H(CCCO)	108.6200	0.000	1	108.6200	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	106.1730	0.000	1	106.1730	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	108.8090	0.000	1	108.8090	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	104.8410	0.000	1	104.8410	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	109.0847	0.643	3	109.0847	0.414	3	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	109.9170	0.501	5	109.9170	0.251	5	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OC)(H)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OC)(H)	H(CCCO)	108.5790	0.000	1	108.5790	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OSi)(H)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OSi)(H)	H(CCCO)	108.4740	0.153	2	108.4740	0.023	2	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	107.1850	0.000	1	107.1850	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	108.6000	0.000	1	108.6000	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(OSi)(H)	H(CCCO)	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(OSi)(H)	H(CCCO)	108.3870	0.235	2	108.3870	0.055	2	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	108.0590	0.402	2	108.0590	0.161	2	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	108.0452	0.398	5	108.0452	0.158	5	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	108.7260	1.174	2	108.7260	1.378	2	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	109.4550	0.000	1	109.4550	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CCN)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCN)(OC)(H)	H(CCCO)	109.1100	0.000	1	109.1100	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(COO)(OC)(H)	H(CCCO)	109.8430	0.000	1	109.8430	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OC)(H)	H(CCCO)	106.2090	0.000	1	106.2090	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CCC)(OH)(H)	H(CCCO)	108.2340	0.000	1	108.2340	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OC)(H)	H(CCCO)	108.8370	0.000	1	108.8370	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OH)(H)	H(CCCO)	107.5284	1.020	5	107.5284	1.041	5	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	109.4630	0.100	2	109.4630	0.010	2	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CHN)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CHN)(OH)(H)	H(CCCO)	108.1520	0.000	1	108.1520	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CNO)(OH)(H)	H(CCCO)	106.9133	1.498	8	106.9133	2.243	8	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(COO)(OH)(H)	H(CCCO)	108.9592	0.356	4	108.9592	0.127	4	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	H(CCCO)	106.8180	0.000	1	106.8180	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	H(CCCO)	C(CClCH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	H(CCCO)	105.5100	0.000	1	105.5100	0.000	1	108.2626	1.967	65	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CNO)(NN)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CNO)(NN)(H)	H(CC[5]CO)	107.1925	0.168	2	107.1925	0.028	2	107.1925	0.028	2	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCH)(OC)(H)	H(CC[6]CO)	109.5165	0.262	2	109.5165	0.069	2	109.5165	0.069	2	108.2970	1.964	70	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CCH)(NCH)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CCH)(NCH)(H)	H(CCCO)	106.8470	0.000	1	106.8470	0.000	1	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	109.3180	0.921	3	109.3180	0.848	3	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCH)(H)	H(CCCO)	109.3760	0.283	2	109.3760	0.080	2	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCS)(H)	H(CCCO)	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCS)(H)	H(CCCO)	109.5850	0.204	2	109.5850	0.041	2	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	108.5660	0.000	1	108.5660	0.000	1	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(H)	H(CCCO)	107.1753	1.998	13	107.1753	3.991	13	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NHS)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NHS)(H)	H(CCCO)	109.0550	0.000	1	109.0550	0.000	1	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(OS)(H)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	C(CCHN)(CH3)(OS)(H)	C(CCHO)(CNO)(NCH)(H)	H(CCCO)	109.0380	0.256	2	109.0380	0.066	2	108.0680	3.227	25	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CCH)(COO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CCH)(COO)(H)	H(CC[5]CO)	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	108.1185	3.164	26	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:C-2:	C-4:	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CCO)(NHS)(CC)	H(CCCO)	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CCO)(NHS)(CC)	H(CCCO)	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	107.8265	2.740	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:S-2:	C-4:	C(CCNS)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(SC)	H(CCCO)	C(CCNS)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(SC)	H(CCCO)	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	107.8265	2.740	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:3:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:C-3:N-3:	C-4:	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CCO)(COO)(NCC)	H(CCCO)	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CCO)(COO)(NCC)	H(CCCO)	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	H(CCCO)	108.1420	0.000	1	108.1420	0.000	1	107.9593	0.414	3	108.0966	0.699	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)(CSiC)(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)(CSiC)(CH3)(H)	H(CCCO)	107.8680	0.882	2	107.8680	0.779	2	107.9593	0.414	3	108.0966	0.699	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-3:C-4:H-1:	C-4:	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	H(CCCO)	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	H(CCCO)	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.0966	0.699	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	H(CCCO)	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.0966	0.699	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CN[5]O)(CH3)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CN[5]O)(CH3)(H)	H(CC[3]CO)	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.0966	0.699	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:3:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CC[5]O)(CH3)(H)	H(CC[6]CO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CC[5]O)(CH3)(H)	H(CC[6]CO)	106.6550	0.000	1	106.6550	0.000	1	106.6550	0.000	1	108.0966	0.699	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CC)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CC)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	108.8570	0.000	2	108.8570	0.000	2	108.3042	0.202	6	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.8230	0.000	1	107.8230	0.000	1	108.3042	0.202	6	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CC)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CC)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.9430	0.000	1	107.9430	0.000	1	108.3042	0.202	6	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CN)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CN)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.1720	0.000	1	108.1720	0.000	1	108.3042	0.202	6	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CN)(H)	C(CCCH)(CF3)(H)2	H(CC3)	C(CCHH)2(CN)(H)	C(CCCH)(CF3)(H)2	H(CC3)	108.1730	0.000	1	108.1730	0.000	1	108.3042	0.202	6	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:C-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHN)(CN)(H)	C(C[5]O[5]2H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHN)(CN)(H)	C(C[5]O[5]2H)(CCCH)(H)2	H(CC3)	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:C-2:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(CN)(H)	C(PPdCC)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)(CN)(H)	C(PPdCC)(CCCH)(H)2	H(CC3)	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NN)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.1610	0.000	1	109.1610	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	106.9455	0.067	2	106.9455	0.005	2	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.3530	0.000	1	109.3530	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHN)(NC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.4060	0.000	1	108.4060	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHN)(NS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	105.2430	0.000	1	105.2430	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.3630	0.119	2	109.3630	0.014	2	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.3120	0.000	1	107.3120	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	108.3060	0.000	1	108.3060	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[5]HO)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.5870	0.000	1	107.5870	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CCHH)(NS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]2O)(CCHH)(NS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.3870	0.000	1	107.3870	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NN)(H)	C(CCHN)(CF3)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NN)(H)	C(CCHN)(CF3)(H)2	H(CCCN)	109.7470	0.000	1	109.7470	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.4110	4.110	2	109.4110	16.890	2	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiCC)(CCHH)(NP)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CSiCC)(CCHH)(NP)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	106.6090	0.000	1	106.6090	0.000	1	108.1594	2.898	16	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:N-2:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CSiHH)(NS)(H)	C(SiC[6a]2C)(CCHN)(H)2	H(CCCN)	C(CC[6a]CH)(CSiHH)(NS)(H)	C(SiC[6a]2C)(CCHN)(H)2	H(CCCN)	106.2870	0.000	1	106.2870	0.000	1	106.2870	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCFH)(OSi)(H)	C(CCHO)(CHHO)(Br)(H)	H(CCCO)	C(CBrCH)(CCFH)(OSi)(H)	C(CCHO)(CHHO)(Br)(H)	H(CCCO)	107.5810	0.000	1	107.5810	0.000	1	107.9790	1.252	18	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	H(CCCO)	108.2361	1.003	9	108.2361	1.005	9	107.9790	1.252	18	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(Br)(H)	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(Br)(H)	H(CCCO)	109.5430	0.000	1	109.5430	0.000	1	107.9790	1.252	18	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CHHS)(OH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CCCO)	C(CBrCH)(CHHS)(OH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CCCO)	107.7700	0.000	1	107.7700	0.000	1	107.9790	1.252	18	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CCCO)	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	H(CCCO)	108.2550	0.123	2	108.2550	0.015	2	107.9790	1.252	18	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	H(CCCO)	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	H(CCCO)	107.0233	1.435	4	107.0233	2.058	4	107.9790	1.252	18	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CC[5]HO)(CClCH)(OH)(H)	C(CCHO)(CH3)(Cl)(H)	H(CCCO)	C(CC[5]HO)(CClCH)(OH)(H)	C(CCHO)(CH3)(Cl)(H)	H(CCCO)	108.5450	0.000	1	108.5450	0.000	1	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CC[6a]HH)(CClCH)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	C(CC[6a]HH)(CClCH)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	107.7790	0.000	1	107.7790	0.000	1	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	108.0260	0.000	1	108.0260	0.000	1	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	H(CCCO)	C(CClCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	H(CCCO)	108.2763	0.101	3	108.2763	0.010	3	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	108.7065	1.136	2	108.7065	1.291	2	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CCCO)	111.1750	0.000	1	111.1750	0.000	1	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(OS)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)(CH3)(OS)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CCCO)	108.7655	0.674	4	108.7655	0.454	4	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CHHO)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)(CHHO)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	108.0370	0.000	1	108.0370	0.000	1	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)2(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	108.7945	0.183	2	108.7945	0.034	2	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(OC)(H)	C(CCHO)(CHHO)(Cl)(H)	H(CCCO)	C(CClCH)2(OC)(H)	C(CCHO)(CHHO)(Cl)(H)	H(CCCO)	108.7665	0.179	2	108.7665	0.032	2	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)2(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	H(CCCO)	107.1830	0.000	1	107.1830	0.000	1	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	H(CCCO)	C(CClCH)2(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	H(CCCO)	107.0940	0.000	1	107.0940	0.000	1	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CCCO)	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	H(CCCO)	107.5235	0.910	6	107.5235	0.829	6	108.2848	0.962	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCHH)(OH)(H)	C(CCFF)(CCHO)(F)2	H(CCCO)	C(CCFF)(CCHH)(OH)(H)	C(CCFF)(CCHO)(F)2	H(CCCO)	109.3790	0.000	1	109.3790	0.000	1	108.6846	1.511	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCHO)(OC)(H)	C(CCHO)2(F)2	H(CCCO)	C(CCFF)(CCHO)(OC)(H)	C(CCHO)2(F)2	H(CCCO)	109.5980	0.000	1	109.5980	0.000	1	108.6846	1.511	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CCHO)(OH)(H)	C(CCHO)2(F)2	H(CCCO)	C(CCFF)(CCHO)(OH)(H)	C(CCHO)2(F)2	H(CCCO)	106.9240	0.000	1	106.9240	0.000	1	108.6846	1.511	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CHHO)(OC)(H)	C(CCHO)2(F)2	H(CCCO)	C(CCFF)(CHHO)(OC)(H)	C(CCHO)2(F)2	H(CCCO)	109.6600	0.000	1	109.6600	0.000	1	108.6846	1.511	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CC[6a]HO)(CCFF)(OC)(H)	C(CCHO)2(F)2	H(CCCO)	C(CC[6a]HO)(CCFF)(OC)(H)	C(CCHO)2(F)2	H(CCCO)	107.8620	0.000	1	107.8620	0.000	1	108.6846	1.511	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CBrCH)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	H(CCCO)	C(CBrCH)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	H(CCCO)	107.6390	0.000	1	107.6390	0.000	1	107.6541	5.300	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(F)(H)	H(CCCO)	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(F)(H)	H(CCCO)	102.4760	0.000	1	102.4760	0.000	1	107.6541	5.300	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(F)(H)	H(CCCO)	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(F)(H)	H(CCCO)	106.9640	0.000	1	106.9640	0.000	1	107.6541	5.300	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CHHN)(OC)(H)	C(CCHH)(CCHO)(F)(H)	H(CCCO)	C(CCFH)(CHHN)(OC)(H)	C(CCHH)(CCHO)(F)(H)	H(CCCO)	108.8040	0.979	4	108.8040	0.959	4	107.6541	5.300	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CC[6a]HN)(CCFH)(OH)(H)	C(CCHO)(CH3)(F)(H)	H(CCCO)	C(CC[6a]HN)(CCFH)(OH)(H)	C(CCHO)(CH3)(F)(H)	H(CCCO)	108.9380	0.000	1	108.9380	0.000	1	107.6541	5.300	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCC)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CBrCC)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.1720	0.000	1	108.1720	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCHO)(H)2	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCHO)(H)2	H(CCCO)	109.5430	0.000	1	109.5430	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.7542	0.886	6	108.7542	0.786	6	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.9830	0.000	1	108.9830	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	H(CCCO)	106.7735	0.035	2	106.7735	0.001	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(OC)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	C(CBrCH)(CCHH)(OC)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	108.7930	0.000	1	108.7930	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.6500	0.000	1	109.6500	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CBrHS)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CBrHS)(CCHO)(H)2	H(CCCO)	109.7020	0.000	1	109.7020	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	108.6170	0.113	3	108.6170	0.013	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.9262	0.643	13	108.9262	0.414	13	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.8787	0.819	4	108.8787	0.671	4	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.6720	0.000	1	108.6720	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHOO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHOO)(H)2	H(CCCO)	109.0970	0.000	1	109.0970	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	108.5475	0.306	4	108.5475	0.093	4	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	H(CCCO)	108.7660	0.000	1	108.7660	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	108.5600	0.000	1	108.5600	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CN[5]HH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CN[5]HH)(CCHO)(H)2	H(CCCO)	113.2280	0.000	1	113.2280	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	107.4817	0.579	7	107.4817	0.335	7	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.1255	0.916	21	108.1255	0.839	21	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.1267	0.757	3	108.1267	0.573	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	107.2560	0.000	1	107.2560	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	106.7720	0.878	2	106.7720	0.771	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]2O)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]2O)(CCHO)(H)2	H(CCCO)	109.0700	0.000	1	109.0700	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	108.0665	0.907	4	108.0665	0.822	4	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CClCC)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CClCC)(CCHO)(H)2	H(CCCO)	107.2460	0.000	1	107.2460	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	107.5114	1.302	5	107.5114	1.694	5	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.0600	0.000	1	108.0600	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(OSi)(H)	C(CN[5a]CH)(CCHO)(H)2	H(CCCO)	C(CCCH)(CCHH)(OSi)(H)	C(CN[5a]CH)(CCHO)(H)2	H(CCCO)	109.5420	0.000	1	109.5420	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCCN)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.2380	0.000	1	108.2380	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.9970	0.000	1	108.9970	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.4920	1.095	5	108.4920	1.200	5	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	109.1170	0.000	1	109.1170	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CC[5a]HO)(CCHO)(H)2	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CC[5a]HO)(CCHO)(H)2	H(CCCO)	108.5680	0.116	2	108.5680	0.013	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	107.9437	0.599	3	107.9437	0.358	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	108.0590	0.045	2	108.0590	0.002	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	107.4080	0.786	15	107.4080	0.618	15	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	108.3610	0.027	2	108.3610	0.001	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CC[4,6]HH)(CCHO)(H)2	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CC[4,6]HH)(CCHO)(H)2	H(CCCO)	107.0510	0.000	1	107.0510	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	107.8350	0.900	6	107.8350	0.809	6	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	116.2190	0.000	1	116.2190	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CBrHS)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CBrHS)(CCHO)(H)2	H(CCCO)	109.1105	0.269	2	109.1105	0.073	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	112.0545	2.149	4	112.0545	4.618	4	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	111.6700	0.000	1	111.6700	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	108.7235	0.021	2	108.7235	0.000	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	106.0640	0.112	2	106.0640	0.012	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	108.6890	0.000	1	108.6890	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	106.5290	0.000	2	106.5290	0.000	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	107.9920	0.000	1	107.9920	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	105.9940	0.000	1	105.9940	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	108.3350	0.000	1	108.3350	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(OSi)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	123.7290	0.000	1	123.7290	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHI)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHI)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	107.1930	0.000	1	107.1930	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.0500	0.116	2	109.0500	0.013	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.1060	0.000	1	108.1060	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	107.9140	0.197	2	107.9140	0.039	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	108.4405	0.742	2	108.4405	0.550	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	106.8220	0.000	1	106.8220	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	108.6621	0.999	7	108.6621	0.998	7	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.3445	0.573	11	109.3445	0.328	11	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.9410	0.000	1	108.9410	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	109.1185	0.944	4	109.1185	0.891	4	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	108.8810	0.177	2	108.8810	0.031	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.0720	0.623	20	108.0720	0.388	20	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	103.8330	0.000	1	103.8330	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	107.4113	1.079	6	107.4113	1.165	6	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CCCO)	104.3790	0.000	1	104.3790	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	H(CCCO)	107.6370	0.000	1	107.6370	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	108.3185	0.820	2	108.3185	0.672	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	108.6320	0.000	1	108.6320	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OS)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CCHO)(OS)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	110.8480	0.000	1	110.8480	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)(CHHS)(H)2	H(CCCO)	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)(CHHS)(H)2	H(CCCO)	108.4140	0.165	2	108.4140	0.027	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	107.6700	0.000	1	107.6700	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CF3)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	108.6925	1.234	2	108.6925	1.523	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.3185	0.628	32	109.3185	0.395	32	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	109.4194	0.259	5	109.4194	0.067	5	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	H(CCCO)	109.1462	1.176	25	109.1462	1.383	25	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	108.7095	0.170	2	108.7095	0.029	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[5a]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CC[5a]HH)(CCHO)(H)2	H(CCCO)	109.6800	0.000	1	109.6800	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	106.7210	0.000	1	106.7210	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CC[6a]SiO)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CC[6a]SiO)(CCHO)(H)2	H(CCCO)	109.8510	0.000	1	109.8510	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OC)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OC)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	109.6000	0.000	1	109.6000	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	107.8466	1.516	16	107.8466	2.297	16	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	107.5302	2.980	15	107.5302	8.881	15	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.5400	0.450	2	108.5400	0.202	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	108.6165	1.004	4	108.6165	1.008	4	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	109.7260	0.769	2	109.7260	0.592	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CCCO)	108.4430	0.000	1	108.4430	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	108.0290	0.000	1	108.0290	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	H(CCCO)	108.0950	0.000	1	108.0950	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	110.0160	0.294	2	110.0160	0.087	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OS)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)(CH3)(OS)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	110.1230	0.000	1	110.1230	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)(CH3)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	108.6625	0.013	2	108.6625	0.000	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OC)(H)	C(CN[5a]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHN)(OC)(H)	C(CN[5a]HH)(CCHO)(H)2	H(CCCO)	110.3705	1.836	2	110.3705	3.372	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.7420	1.682	6	109.7420	2.830	6	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.8487	1.173	3	108.8487	1.376	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHO)(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	108.9830	0.000	1	108.9830	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OC)(H)	C(CC[6a]2H)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHO)(OC)(H)	C(CC[6a]2H)(CCHO)(H)2	H(CCCO)	110.7565	0.923	2	110.7565	0.852	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHO)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	H(CCCO)	109.2570	0.000	1	109.2570	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.3430	0.000	1	108.3430	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(OH)(H)	C(CCFF)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHP)(OH)(H)	C(CCFF)(CCHO)(H)2	H(CCCO)	108.7650	0.000	1	108.7650	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	109.1630	1.717	2	109.1630	2.948	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	109.3852	0.147	8	109.3852	0.022	8	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.3674	0.639	35	109.3674	0.408	35	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	109.2680	0.000	1	109.2680	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	H(CCCO)	109.3881	0.493	9	109.3881	0.243	9	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CC[5]HO)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CC[5]HO)(CCHO)(H)2	H(CCCO)	109.5450	0.000	1	109.5450	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OC)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	109.0190	0.000	1	109.0190	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	108.7350	0.000	1	108.7350	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.1451	1.045	29	108.1451	1.093	29	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.0130	1.406	2	108.0130	1.976	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	109.3320	0.000	1	109.3320	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	H(CCCO)	108.2549	1.216	8	108.2549	1.478	8	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	108.5373	0.808	3	108.5373	0.652	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CC[6a]CH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CC[6a]CH)(CCHO)(H)2	H(CCCO)	108.9300	0.000	1	108.9300	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	C(CCHH)2(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	H(CCCO)	108.5700	0.478	2	108.5700	0.228	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	108.6385	0.619	2	108.6385	0.383	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[4]CC)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CC[4]CC)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.9730	0.000	1	108.9730	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[5]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.0900	0.000	1	109.0900	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CC[5]CH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	108.3510	0.000	1	108.3510	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	108.0230	0.000	1	108.0230	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCH)(CCHO)(H)2	H(CCCO)	106.8495	0.087	2	106.8495	0.008	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[5]CO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.3617	0.323	3	108.3617	0.104	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.1780	0.000	1	108.1780	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[5]HO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.2030	0.000	1	109.2030	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CC)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CC[6]CC)(CCHH)(OSi)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	108.0490	0.030	2	108.0490	0.001	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.8890	0.000	1	108.8890	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CC[6]CH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	110.4590	0.000	1	110.4590	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CN)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CC[6]CN)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	107.6270	0.000	1	107.6270	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CC[6]CO)(CCHH)(OC)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	109.0210	0.000	1	109.0210	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.5770	0.000	1	109.5770	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.8540	0.000	1	108.8540	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	109.1060	0.146	2	109.1060	0.021	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	109.0981	0.684	7	109.0981	0.468	7	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	H(CCCO)	108.6813	0.758	3	108.6813	0.575	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	H(CCCO)	108.5070	0.000	1	108.5070	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.0965	0.054	2	109.0965	0.003	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHO)2(H)2	H(CCCO)	109.5510	0.000	1	109.5510	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6a]CC)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.0840	0.914	2	108.0840	0.835	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCCO)(CCHO)(H)2	H(CCCO)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCCO)(CCHO)(H)2	H(CCCO)	110.2010	0.000	1	110.2010	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	105.1940	0.000	1	105.1940	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]ClH)(CCHH)(OP)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6a]ClH)(CCHH)(OP)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.9820	0.000	1	109.9820	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OC)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	109.8390	0.000	1	109.8390	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	107.3730	0.000	1	107.3730	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHN)(CCHO)(H)2	H(CCCO)	108.5788	0.695	6	108.5788	0.482	6	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.5230	1.218	2	108.5230	1.483	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[5a]HN)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[5a]HN)(CCHO)(H)2	H(CCCO)	108.0755	0.170	2	108.0755	0.029	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	H(CCCO)	109.0897	0.156	3	109.0897	0.024	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.7840	0.216	4	108.7840	0.047	4	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	106.9370	0.000	1	106.9370	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCHP)(H)2	H(CCCO)	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCHP)(H)2	H(CCCO)	109.5370	0.000	1	109.5370	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	C(CClCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(H)2	H(CCCO)	107.9980	0.000	1	107.9980	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(CCHO)(H)2	H(CCCO)	108.2203	0.068	3	108.2203	0.005	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CCHH)(OC)(H)	C(CC[6a]SiH)(CCHO)(H)2	H(CCCO)	C(CClHH)(CCHH)(OC)(H)	C(CC[6a]SiH)(CCHO)(H)2	H(CCCO)	109.0730	0.000	1	109.0730	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.3355	0.467	2	109.3355	0.218	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CN[5a]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	106.9380	0.000	1	106.9380	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CPdCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	109.0160	0.409	3	109.0160	0.168	3	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPdCH)(CCHH)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	C(CPdCH)(CCHH)(OSi)(H)	C(CCHO)2(H)2	H(CCCO)	106.9460	0.267	2	106.9460	0.071	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	C(CPtCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	H(CCCO)	108.2620	0.584	2	108.2620	0.341	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRhCH)(CCHH)(OH)(H)	C(CRhCH)(CCHO)(H)2	H(CCCO)	C(CRhCH)(CCHH)(OH)(H)	C(CRhCH)(CCHO)(H)2	H(CCCO)	109.5615	1.370	2	109.5615	1.876	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(OC)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	C(CSiHH)(CCHH)(OC)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	109.6450	0.000	1	109.6450	0.000	1	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	C(CSiHH)(CCHH)(OH)(H)	C(CCHO)(CC3)(H)2	H(CCCO)	107.0940	0.288	2	107.0940	0.083	2	108.6404	2.135	539	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:I-1:	C-4:	C(CCHH)(CCHI)(OC)(H)	C(CCHN)(CCHO)(H)(I)	H(CCCO)	C(CCHH)(CCHI)(OC)(H)	C(CCHN)(CCHO)(H)(I)	H(CCCO)	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	109.9885	0.278	2	109.9885	0.077	2	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	109.7326	0.924	8	109.7326	0.854	8	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	108.7180	0.792	6	108.7180	0.627	6	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	108.3410	0.000	1	108.3410	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	108.1140	0.000	1	108.1140	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	109.7870	0.000	1	109.7870	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(NCCH)(H)2	H(CCCO)	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(NCCH)(H)2	H(CCCO)	110.6220	0.000	1	110.6220	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(OC)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	C(CHHN)(CH3)(OC)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	109.7520	0.000	1	109.7520	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCCH)(H)2	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCCH)(H)2	H(CCCO)	109.2665	0.036	2	109.2665	0.001	2	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	108.7730	0.826	2	108.7730	0.682	2	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	109.0430	0.000	1	109.0430	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	108.8040	0.000	1	108.8040	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NC3)(H)2	H(CCCO)	110.9060	0.000	1	110.9060	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	108.5283	1.157	7	108.5283	1.338	7	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NCCH)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NCCH)(H)2	H(CCCO)	109.3190	0.000	1	109.3190	0.000	1	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NCHH)(H)2	H(CCCO)	107.5680	1.848	3	107.5680	3.416	3	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(CCHO)(NH3)(H)2	H(CCCO)	108.9970	0.072	2	108.9970	0.005	2	109.0563	1.203	41	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CC3)(OH)(H)	C(CCHO)(PCCS)(H)2	H(CCCO)	C(CHHP)(CC3)(OH)(H)	C(CCHO)(PCCS)(H)2	H(CCCO)	108.2530	0.188	2	108.2530	0.035	2	108.2530	0.035	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(CC3)(OC)(H)	C(CCHO)(SCOO)(H)2	H(CCCO)	C(CHHS)(CC3)(OC)(H)	C(CCHO)(SCOO)(H)2	H(CCCO)	109.4440	0.000	1	109.4440	0.000	1	108.8175	0.785	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHS)(OH)(H)	C(CCHO)(SO3)(H)2	H(CCCO)	C(CN[6]HH)(CHHS)(OH)(H)	C(CCHO)(SO3)(H)2	H(CCCO)	108.1910	0.000	1	108.1910	0.000	1	108.8175	0.785	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	H(CCCO)	107.6145	0.654	2	107.6145	0.428	2	108.3427	1.426	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCCH)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCCH)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	106.2300	0.000	1	106.2300	0.000	1	108.3427	1.426	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHO)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCHO)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(CCCO)	109.2250	0.569	2	109.2250	0.323	2	108.3427	1.426	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHO)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CCHO)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	108.3510	0.000	1	108.3510	0.000	1	108.3427	1.426	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(CCCO)	109.7590	0.000	1	109.7590	0.000	1	108.3427	1.426	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(CCCO)	108.7230	0.000	1	108.7230	0.000	1	108.3427	1.426	8	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)(ON)(H)	C(C[4]C[4]2O)(CCHO)(H)2	H(CCCO)	C(CC[4]HH)(CH3)(ON)(H)	C(C[4]C[4]2O)(CCHO)(H)2	H(CCCO)	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CCCH)(OC)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	H(CCCO)	C(CC[5,5]HH)(CCCH)(OC)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	H(CCCO)	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	H(CCCO)	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	H(CCCO)	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:	C(CC[5]BrH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	H(CCCO)	C(CC[5]BrH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	H(CCCO)	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2O)(CCHO)(H)2	H(CCCO)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2O)(CCHO)(H)2	H(CCCO)	108.5457	0.185	3	108.5457	0.034	3	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	H(CCCO)	108.8600	0.000	1	108.8600	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(OH)(H)	C(C[5]O[5]2C)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCCH)(OH)(H)	C(C[5]O[5]2C)(CCHO)(H)2	H(CCCO)	108.1070	0.000	1	108.1070	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	H(CCCO)	108.2260	0.000	1	108.2260	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	108.7370	0.601	3	108.7370	0.361	3	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	108.8060	0.710	2	108.8060	0.504	2	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CClHH)(OH)(H)	C(C[5]C[5]2S)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CClHH)(OH)(H)	C(C[5]C[5]2S)(CCHO)(H)2	H(CCCO)	110.3610	0.000	1	110.3610	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	109.9363	0.060	4	109.9363	0.004	4	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	H(CCCO)	109.7720	0.000	1	109.7720	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHN)(OC)(H)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CHHN)(OC)(H)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	H(CCCO)	108.0340	0.000	1	108.0340	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	107.5980	0.000	1	107.5980	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)2(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	H(CCCO)	109.8760	0.000	1	109.8760	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]N[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]N[5]H)(CCHO)(H)2	H(CCCO)	109.7905	0.245	2	109.7905	0.060	2	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	H(CCCO)	109.8530	0.000	1	109.8530	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[5]O[5]2H)(CCHO)(H)2	H(CCCO)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[5]O[5]2H)(CCHO)(H)2	H(CCCO)	108.8720	0.000	1	108.8720	0.000	1	109.0977	0.655	24	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[6]S[6]2C)(CCHO)(H)2	H(CCCO)	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[6]S[6]2C)(CCHO)(H)2	H(CCCO)	108.2770	0.000	1	108.2770	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCCO)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCCO)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	H(CCCO)	107.2510	0.000	1	107.2510	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OC)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OC)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	109.5640	0.000	1	109.5640	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	H(CCCO)	108.3705	0.878	4	108.3705	0.772	4	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	109.1100	0.165	2	109.1100	0.027	2	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	H(CCCO)	109.0354	0.671	7	109.0354	0.450	7	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	H(CCCO)	108.4790	0.000	1	108.4790	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHN)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHN)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	H(CCCO)	109.1750	0.000	1	109.1750	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(OC)(H)	C(C[6]S[6]2H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHO)(OC)(H)	C(C[6]S[6]2H)(CCHO)(H)2	H(CCCO)	110.3170	0.000	1	110.3170	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHO)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CCHO)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	107.2525	1.207	2	107.2525	1.457	2	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(OC)(H)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CH3)(OC)(H)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	H(CCCO)	109.7610	0.000	1	109.7610	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	H(CCCO)	C(CC[6]HH)(CH3)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	H(CCCO)	108.4900	0.274	2	108.4900	0.075	2	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	110.9960	2.953	2	110.9960	8.719	2	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	H(CCCO)	108.2130	0.000	1	108.2130	0.000	1	108.8690	1.469	27	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CC3)(OH)(H)	C(NCuCC)(CCHO)(H)2	H(CCCO)	C(CHHN)(CC3)(OH)(H)	C(NCuCC)(CCHO)(H)2	H(CCCO)	107.1345	1.587	2	107.1345	2.520	2	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(OH)(H)	C(NCuCH)(CCHO)(H)2	H(CCCO)	C(CHHN)(CH3)(OH)(H)	C(NCuCH)(CCHO)(H)2	H(CCCO)	107.7150	0.000	1	107.7150	0.000	1	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NCoCC)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NCoCC)(CCHO)(H)2	H(CCCO)	112.2540	10.235	2	112.2540	104.748	2	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NCoCH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NCoCH)(CCHO)(H)2	H(CCCO)	108.3497	0.766	14	108.3497	0.586	14	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NCuCH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NCuCH)(CCHO)(H)2	H(CCCO)	107.7670	0.000	1	107.7670	0.000	1	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NNiCH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NNiCH)(CCHO)(H)2	H(CCCO)	107.9865	0.016	2	107.9865	0.000	2	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NPdHH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NPdHH)(CCHO)(H)2	H(CCCO)	107.8450	0.037	2	107.8450	0.001	2	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NZnCC)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NZnCC)(CCHO)(H)2	H(CCCO)	110.0520	0.000	1	110.0520	0.000	1	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OH)(H)	C(NZnCH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OH)(H)	C(NZnCH)(CCHO)(H)2	H(CCCO)	109.9240	0.000	1	109.9240	0.000	1	108.5690	6.159	26	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2H)(CCHO)(H)2	H(CCCO)	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2H)(CCHO)(H)2	H(CCCO)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCHN)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CCHN)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	109.4640	0.000	1	109.4640	0.000	1	108.3354	1.250	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	107.8260	0.482	7	107.8260	0.232	7	108.3354	1.250	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2O)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2O)(CCHO)(H)2	H(CCCO)	110.9310	0.000	1	110.9310	0.000	1	108.3354	1.250	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHS)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	C(CN[6]HH)(CHHS)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	H(CCCO)	108.1770	0.000	1	108.1770	0.000	1	108.3354	1.250	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(OH)(H)	C(PC[6a]2O)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHP)(OH)(H)	C(PC[6a]2O)(CCHO)(H)2	H(CCCO)	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]OO)(CCHO)(H)2	H(CCCO)	C(CBrCH)(CHHS)(OSi)(H)	C(SC[6a]OO)(CCHO)(H)2	H(CCCO)	108.4640	0.000	1	108.4640	0.000	1	109.4182	1.105	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(OH)(H)	C(SC[6a]OO)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHS)(OH)(H)	C(SC[6a]OO)(CCHO)(H)2	H(CCCO)	109.2320	1.739	2	109.2320	3.026	2	109.4182	1.105	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(CC3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	H(CCCO)	C(CHHS)(CC3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	H(CCCO)	108.8680	0.318	4	108.8680	0.101	4	109.4182	1.105	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	H(CCCO)	C(CHHS)(CH3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	H(CCCO)	110.5940	0.371	3	110.5940	0.138	3	109.4182	1.105	10	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(OC)(H)	C(SiCCO)(CCHO)(H)2	H(CCCO)	C(CSiHH)(CCHH)(OC)(H)	C(SiCCO)(CCHO)(H)2	H(CCCO)	109.6810	0.000	1	109.6810	0.000	1	110.5520	0.884	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(OH)(H)	C(SiCCO)(CCHO)(H)2	H(CCCO)	C(CSiHH)(CCHH)(OH)(H)	C(SiCCO)(CCHO)(H)2	H(CCCO)	110.9875	0.794	2	110.9875	0.631	2	110.5520	0.884	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(SS)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CCHH)(CCHN)(SS)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	107.8507	0.400	3	107.8507	0.160	3	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.6520	1.549	2	107.6520	2.398	2	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(SC)(H)	C(CCHS)2(H)2	H(CCCS)	C(CCHH)(CH3)(SC)(H)	C(CCHS)2(H)2	H(CCCS)	107.0600	1.771	8	107.0600	3.137	8	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(SRe)(H)	C(CReHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(CH3)(SRe)(H)	C(CReHH)(CCHS)(H)2	H(CCCS)	107.9400	0.000	1	107.9400	0.000	1	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(SZn)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CCHH)(CH3)(SZn)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	101.9510	0.000	1	101.9510	0.000	1	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPd)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPd)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	108.6340	0.366	5	108.6340	0.134	5	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPt)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPt)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	108.5720	0.000	1	108.5720	0.000	1	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)2(SC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	108.4620	1.933	2	108.4620	3.737	2	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(SC)(H)	C(CCHS)(CF3)(H)2	H(CCCS)	C(CCHH)2(SC)(H)	C(CCHS)(CF3)(H)2	H(CCCS)	107.1100	0.000	1	107.1100	0.000	1	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CF)(CCHH)(SC)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CC[6a]CF)(CCHH)(SC)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	114.8040	0.000	1	114.8040	0.000	1	107.8323	5.086	25	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(SNi)(H)	C(NNiCC)(CCHS)(H)2	H(CCCS)	C(CHHN)(CH3)(SNi)(H)	C(NNiCC)(CCHS)(H)2	H(CCCS)	108.8290	0.134	3	108.8290	0.018	3	108.8290	0.018	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPd)(H)	C(PC[6a]2Pd)(CCHS)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPd)(H)	C(PC[6a]2Pd)(CCHS)(H)2	H(CCCS)	108.6826	0.384	5	108.6826	0.147	5	108.6633	0.120	6	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:S-2:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPt)(H)	C(PC[6a]2Pt)(CCHS)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPt)(H)	C(PC[6a]2Pt)(CCHS)(H)2	H(CCCS)	108.5670	0.000	1	108.5670	0.000	1	108.6633	0.120	6	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:Se-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(SeC)(H)	C(CSeCH)(CF3)(H)2	H(CSeCC)	C(CN[5]HH)(CCHH)(SeC)(H)	C(CSeCH)(CF3)(H)2	H(CSeCC)	109.1770	0.628	2	109.1770	0.394	2	109.1770	0.394	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	H(CC[5]CO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	H(CC[5]CO)	109.7830	0.000	1	109.7830	0.000	1	108.5310	3.135	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C[5]-4:O-2:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	H(CC[5]CO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	H(CC[5]CO)	107.2790	0.000	1	107.2790	0.000	1	108.5310	3.135	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:Si-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SiC3)(OH)(H)	C(CN[5]HH)(CSiHO)(H)2	H(CSiCO)	C(CCHH)(SiC3)(OH)(H)	C(CN[5]HH)(CSiHO)(H)2	H(CSiCO)	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3,5,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	C(CC[3,5,6]HO)(CH3)(H)2	H(CC[3,5,6]CO)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	C(CC[3,5,6]HO)(CH3)(H)2	H(CC[3,5,6]CO)	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3,5]-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	H(CC[3,5]CO)	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	C(C[4]C[4]2H)(CC[3,5]HO)(H)2	H(CC[3,5]CO)	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	C(CC[3,6]HO)(CH3)(H)2	H(CC[3,6]CO)	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	C(CC[3,6]HO)(CH3)(H)2	H(CC[3,6]CO)	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	110.0320	0.000	1	110.0320	0.000	1	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(CH3)(H)2	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CC[3]HO)(CH3)(H)2	H(CC[3]CO)	109.5600	0.257	3	109.5600	0.066	3	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	109.1630	0.000	1	109.1630	0.000	1	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHH)(OP)(H)	C(CC[3]HO)(CH3)(H)2	H(CC[3]CO)	C(C[3]C[3]2H)(CCHH)(OP)(H)	C(CC[3]HO)(CH3)(H)2	H(CC[3]CO)	110.5140	0.000	1	110.5140	0.000	1	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	109.9210	0.000	1	109.9210	0.000	1	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CC[5]CH)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CC[5]CH)(H)2	H(CC[3]CO)	109.9935	0.168	2	109.9935	0.028	2	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CCHH)(H)2	H(CC[3]CO)	108.9970	0.000	1	108.9970	0.000	1	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CH3)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CC[3]HO)(CH3)(H)2	H(CC[3]CO)	108.3680	0.000	1	108.3680	0.000	1	109.6056	0.367	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	C(C[5]O[5]2C)(CC[3]HO)(H)2	H(CC[3]CO)	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	C(C[5]O[5]2C)(CC[3]HO)(H)2	H(CC[3]CO)	110.6060	0.000	1	110.6060	0.000	1	107.7188	1.313	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(CC[3]CO)	108.0800	0.000	1	108.0800	0.000	1	107.7188	1.313	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	H(CC[3]CO)	106.6520	0.000	1	106.6520	0.000	1	107.7188	1.313	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(CC[3]CO)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	H(CC[3]CO)	107.4461	0.647	8	107.4461	0.419	8	107.7188	1.313	11	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	H(CC[3]CO)	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]H)(CC[3]HO)(H)2	H(CC[3]CO)	109.4190	0.037	2	109.4190	0.001	2	109.4190	0.001	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[3x6]-4:C-4:N-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	H(CC[3x6]CN)	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4,5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	C(CC[4,5]HO)(CC[5]CO)(H)2	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	C(CC[4,5]HO)(CC[5]CO)(H)2	H(CC[4,5]CO)	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4,5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]O[5])(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	H(CC[4,5]CO)	109.2965	0.279	2	109.2965	0.078	2	109.2965	0.078	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CH3)(H)2	H(CC[4]CO)	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	C(CC[4]HO)(CH3)(H)2	H(CC[4]CO)	109.2060	0.000	1	109.2060	0.000	1	108.1094	1.718	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(OH)(H)	C(CC[4]HO)(CC[6]HH)(H)2	H(CC[4]CO)	C(C[4]C[4]2H)(CCHH)(OH)(H)	C(CC[4]HO)(CC[6]HH)(H)2	H(CC[4]CO)	106.5630	0.000	1	106.5630	0.000	1	108.1094	1.718	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2O)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	H(CC[4]CO)	C(C[4]C[4]2O)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	H(CC[4]CO)	106.8110	0.000	1	106.8110	0.000	1	108.1094	1.718	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	H(CC[4]CO)	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	C(CC[4]HO)(CCHH)(H)2	H(CC[4]CO)	108.9835	0.255	2	108.9835	0.065	2	108.1094	1.718	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	H(CC[4]CO)	C(C[4]C[4]2O)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	H(CC[4]CO)	107.3290	0.000	1	107.3290	0.000	1	107.3290	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[4]-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CCHH)(SC)(H)	C(CC[4]HS)(CCHH)(H)2	H(CC[4]CS)	C(C[4]C[4]2H)(CCHH)(SC)(H)	C(CC[4]HS)(CCHH)(H)2	H(CC[4]CS)	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5,5]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	H(CC[5,5]CO)	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C(C[6]C[6,6]C[6]H)(CC[5,5]HO)(H)2	H(CC[5,5]CO)	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CHHN)(H)2	H(CC[5,6,6]CO)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CHHN)(H)2	H(CC[5,6,6]CO)	106.5400	1.836	3	106.5400	3.372	3	106.8143	2.549	4	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CN[6]HH)(H)2	H(CC[5,6,6]CO)	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CC[5,6,6]HO)(CN[6]HH)(H)2	H(CC[5,6,6]CO)	107.6370	0.000	1	107.6370	0.000	1	106.8143	2.549	4	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C(C[6]C[6]2H)(CC[5,6]HO)(H)2	H(CC[5,6]CO)	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	C(CC[5]CH)2(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	C(CC[5]CH)2(H)2	H(CC[5]CC)	106.7200	0.000	1	106.7200	0.000	1	106.7200	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	108.8852	0.918	4	108.8852	0.843	4	108.8852	0.843	4	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C(CC[5]HO)(CCFF)(F)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C(CC[5]HO)(CCFF)(F)2	H(CC[5]CO)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]CO)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]CO)(CC[5]HO)(H)2	H(CC[5]CO)	107.4960	0.000	1	107.4960	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CO)	106.4125	0.291	2	106.4125	0.084	2	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	110.2890	0.000	1	110.2890	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(CC[5]HH)(CC[5]HO)(H)2	H(CC[5]CO)	107.8880	0.000	1	107.8880	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	108.6405	0.127	4	108.6405	0.016	4	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	107.4380	0.000	1	107.4380	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	106.6390	0.000	1	106.6390	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	109.3300	0.000	1	109.3300	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	107.7690	0.000	1	107.7690	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	106.7240	0.000	1	106.7240	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	108.9585	0.224	2	108.9585	0.050	2	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CHHN)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[5]HO)(CHHN)(H)2	H(CC[5]CO)	109.2370	0.000	1	109.2370	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	H(CC[5]CO)	108.0390	0.000	1	108.0390	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	C(C[5]C[5]2O)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	107.7740	0.000	1	107.7740	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]2O)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	107.8990	0.181	2	107.8990	0.033	2	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	110.8050	0.000	1	110.8050	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	107.0230	0.000	1	107.0230	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	108.1187	1.152	3	108.1187	1.328	3	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CHHO)(H)2	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CHHO)(H)2	H(CC[5]CO)	108.3760	0.000	1	108.3760	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	108.6375	1.169	2	108.6375	1.366	2	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CHHO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CC[5]HO)(CHHO)(H)2	H(CC[5]CO)	108.9350	0.000	1	108.9350	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC[5]CO)	108.7620	0.000	1	108.7620	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	108.2220	0.000	1	108.2220	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	109.7570	0.566	3	109.7570	0.321	3	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CCHO)(H)2	H(CC[5]CO)	109.9660	0.000	1	109.9660	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	109.1760	0.000	1	109.1760	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CBrCH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CBrCH)(H)2	H(CC[5]CO)	108.1280	0.000	1	108.1280	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	108.6706	1.123	5	108.6706	1.261	5	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CC[5]CO)	106.6220	0.000	1	106.6220	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CH3)(H)2	H(CC[5]CO)	108.4470	0.000	1	108.4470	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	109.1330	0.000	1	109.1330	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CC[5]CO)	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	H(CC[5]CO)	108.7830	0.000	1	108.7830	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(CC[5]HO)(CCHH)(H)2	H(CC[5]CO)	109.1010	0.000	1	109.1010	0.000	1	108.4471	1.168	48	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	H(CC[5]CO)	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	H(CC[5]CO)	107.1405	0.928	2	107.1405	0.862	2	107.1405	0.862	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[3x5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	H(CC[5]CO)	107.3610	0.025	2	107.3610	0.001	2	107.3610	0.001	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	H(CC[5]CO)	108.8388	0.703	5	108.8388	0.495	5	108.4885	0.705	22	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	H(CC[5]CO)	108.3854	0.868	17	108.3854	0.753	17	108.4885	0.705	22	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(H)2	H(CC[5]CO)	109.8890	0.000	1	109.8890	0.000	1	109.3520	0.636	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	H(CC[5]CO)	109.7310	0.000	1	109.7310	0.000	1	109.3520	0.636	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2C)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C(C[5]C[5]2C)(CC[5]HO)(H)2	H(CC[5]CO)	108.4360	0.000	1	108.4360	0.000	1	109.3520	0.636	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2H)(CC[5]HO)(H)2	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2H)(CC[5]HO)(H)2	H(CC[5]CO)	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	C(CC[5]HS)(CH3)(H)2	H(CC[5]CS)	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	C(CC[5]HS)(CH3)(H)2	H(CC[5]CS)	108.5170	0.000	1	108.5170	0.000	1	108.1135	0.326	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[5]-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	C(CC[5]HS)(CCHH)(H)2	H(CC[5]CS)	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	C(CC[5]HS)(CCHH)(H)2	H(CC[5]CS)	107.7100	0.000	1	107.7100	0.000	1	108.1135	0.326	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[6]CO)	105.8630	0.000	1	105.8630	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CC3)(H)2	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CC3)(H)2	H(CC[6]CO)	109.3725	0.396	6	109.3725	0.157	6	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	108.0420	0.000	1	108.0420	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC3)(H)2	H(CC[6]CO)	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CC3)(H)2	H(CC[6]CO)	109.7357	1.932	4	109.7357	3.733	4	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	109.1285	0.131	2	109.1285	0.017	2	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	107.6440	0.000	1	107.6440	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	107.3485	0.267	4	107.3485	0.071	4	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	106.8480	0.000	1	106.8480	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	H(CC[6]CO)	108.2710	0.000	1	108.2710	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	H(CC[6]CO)	108.6930	0.000	1	108.6930	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHN)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C(CC[6]HO)(CCHN)(H)2	H(CC[6]CO)	108.6380	0.000	1	108.6380	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	107.5310	0.000	1	107.5310	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(H)2	H(CC[6]CO)	107.5580	0.000	1	107.5580	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[5]HH)(CC[6]HO)(H)2	H(CC[6]CO)	108.2180	0.000	1	108.2180	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CC[6]HO)(CCHH)(H)2	H(CC[6]CO)	108.7270	0.024	2	108.7270	0.001	2	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	109.2740	0.000	1	109.2740	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC[6]CO)	108.6870	0.000	1	108.6870	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CC[6]HO)(CH3)(H)2	H(CC[6]CO)	109.0190	0.000	1	109.0190	0.000	1	108.5345	1.420	31	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CHHN)(OH)(H)	C(CC[6]HO)(NCHH)(H)2	H(CC[6]CO)	108.6234	0.926	5	108.6234	0.857	5	108.6234	0.857	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C(C[4]C[4]2C)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C(C[4]C[4]2C)(CC[6]HO)(H)2	H(CC[6]CO)	105.2270	0.000	1	105.2270	0.000	1	106.8070	4.993	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	C(C[4]C[4]O[4]H)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	C(C[4]C[4]O[4]H)(CC[6]HO)(H)2	H(CC[6]CO)	108.3870	0.000	1	108.3870	0.000	1	106.8070	4.993	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5,5]HH)(OH)(H)	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	H(CC[6]CO)	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:F-1:F-1:	C-4:	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]FF)(OH)(H)	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	H(CC[6]CO)	107.9125	0.260	2	107.9125	0.067	2	107.9125	0.067	2	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]HH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	H(CC[6]CO)	107.8020	0.065	2	107.8020	0.004	2	107.8782	0.808	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[5]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	H(CC[6]CO)	107.9290	1.267	3	107.9290	1.605	3	107.8782	0.808	5	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C(C[6]C[6]O[6]O)(CC[6]HO)(H)2	H(CC[6]CO)	107.9850	0.000	1	107.9850	0.000	1	105.2257	5.710	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6]HH)(OH)(H)	C(C[6]C[6]2C)(CC[6]HO)(H)2	H(CC[6]CO)	103.8460	0.000	2	103.8460	0.000	2	105.2257	5.710	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	C[6]-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(SC)(H)	C(CC[6]HH)(CC[6]HS)(H)2	H(CC[6]CS)	C(C[6]C[6]2H)(CCHH)(SC)(H)	C(CC[6]HH)(CC[6]HS)(H)2	H(CC[6]CS)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	N-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.8050	0.000	1	106.8050	0.000	1	106.8050	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	N-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CHHN)(OH)(H)	C(NCoHH)(CHNO)(H)2	H(CCNO)	C(NCoCH)(CHHN)(OH)(H)	C(NCoHH)(CHNO)(H)2	H(CCNO)	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CHOP)(H)2	H(CCOP)	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CHOP)(H)2	H(CCOP)	112.6690	0.000	1	112.6690	0.000	1	110.0273	5.818	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(OH)(H)	C(CHHP)(CHOP)(H)2	H(CCOP)	C(PC[6a]2Pd)(CCHH)(OH)(H)	C(CHHP)(CHOP)(H)2	H(CCOP)	107.9420	0.000	1	107.9420	0.000	1	110.0273	5.818	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCCH)(CHOP)(H)2	H(CCOP)	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCCH)(CHOP)(H)2	H(CCOP)	109.4710	0.000	1	109.4710	0.000	1	110.0273	5.818	3	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:1:1:	4:	P[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CP[5]HO)(CCCH)(H)2	H(CP[5]CO)	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CP[5]HO)(CCCH)(H)2	H(CP[5]CO)	112.3070	0.000	1	112.3070	0.000	1	112.3070	0.000	1	108.5792	2.095	1007	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CC)(H)	C(CCCH)(CC3)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CC)(H)	C(CCCH)(CC3)(OC)(H)	H(CC3)	107.5270	1.024	2	107.5270	1.048	2	107.5780	0.353	4	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CC)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CC)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	107.6290	0.000	2	107.6290	0.000	2	107.5780	0.353	4	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:C-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(CC)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(CC3)	C(CC[5]HO)(CH3)(CC)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(CC3)	107.5670	0.000	1	107.5670	0.000	1	107.5670	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:C-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)2(CC)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[6]HO)2(CC)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	106.4630	0.078	2	106.4630	0.006	2	106.4630	0.006	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CCHO)(NN)(H)	C(CC[5]HO)(CCHN)(NN)(H)	H(CCCN)	C(CCHN)(CCHO)(NN)(H)	C(CC[5]HO)(CCHN)(NN)(H)	H(CCCN)	107.3640	0.000	1	107.3640	0.000	1	106.9105	0.411	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CC[5]HO)(CCHN)(NN)(H)	C(CCHN)(CCHO)(NN)(H)	H(CCCN)	C(CC[5]HO)(CCHN)(NN)(H)	C(CCHN)(CCHO)(NN)(H)	H(CCCN)	106.4570	0.000	1	106.4570	0.000	1	106.9105	0.411	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	107.3800	0.000	1	107.3800	0.000	1	109.0844	0.630	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(NH)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	C(CCHO)2(NH)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	108.5120	0.000	1	108.5120	0.000	1	109.0844	0.630	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(NH)(H)	C(CCHN)(CCHO)(OSi)(H)	H(CCCN)	C(CCHO)2(NH)(H)	C(CCHN)(CCHO)(OSi)(H)	H(CCCN)	108.4670	0.000	1	108.4670	0.000	1	109.0844	0.630	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OC)(H)	H(CCCN)	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OC)(H)	H(CCCN)	109.4855	0.013	2	109.4855	0.000	2	109.0844	0.630	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	109.5655	0.023	2	109.5655	0.001	2	109.0844	0.630	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(NN)(H)	C(CClCH)(CCHN)(OH)(H)	H(CCCN)	C(CCHO)2(NN)(H)	C(CClCH)(CCHN)(OH)(H)	H(CCCN)	109.6495	0.062	2	109.6495	0.004	2	109.0844	0.630	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(NC)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(CCCN)	C(CC[5]HO)(CCHH)(NC)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(CCCN)	107.6100	0.000	1	107.6100	0.000	1	107.3145	0.175	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHN)(NN)(H)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	H(CCCN)	C(CC[5]HO)(CCHN)(NN)(H)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	H(CCCN)	107.0190	0.000	1	107.0190	0.000	1	107.3145	0.175	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:N-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	H(CCCN)	106.6965	0.441	2	106.6965	0.194	2	106.6965	0.194	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CC)(H)	H(CCCO)	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CC)(H)	H(CCCO)	107.4865	0.299	2	107.4865	0.089	2	107.1028	0.226	4	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(CC)(H)	H(CCCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(CC)(H)	H(CCCO)	106.7190	0.000	2	106.7190	0.000	2	107.1028	0.226	4	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NC)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NC)(H)	H(CCCO)	106.8430	0.000	1	106.8430	0.000	1	108.3948	0.725	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)2(NH)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)2(NH)(H)	H(CCCO)	108.3850	0.000	1	108.3850	0.000	1	108.3948	0.725	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCHO)2(NN)(H)	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	C(CCHO)2(NN)(H)	H(CCCO)	109.0820	0.017	2	109.0820	0.000	2	108.3948	0.725	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	H(CCCO)	107.8790	0.096	2	107.8790	0.009	2	108.3948	0.725	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)2(NH)(H)	H(CCCO)	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)2(NH)(H)	H(CCCO)	108.9030	0.000	1	108.9030	0.000	1	108.3948	0.725	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CClCH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	H(CCCO)	C(CClCH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	H(CCCO)	108.7500	1.179	2	108.7500	1.391	2	108.3948	0.725	9	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	108.0780	0.000	1	108.0780	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	109.2810	0.188	2	109.2810	0.035	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	107.5540	1.051	3	107.5540	1.105	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	107.3410	1.016	4	107.3410	1.032	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	107.9870	0.000	1	107.9870	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	107.8345	1.042	2	107.8345	1.085	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	H(CCCO)	107.2480	0.000	1	107.2480	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCCO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.2480	0.870	2	108.2480	0.756	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCFF)(CCHO)(OC)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	C(CCFF)(CCHO)(OC)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	109.6360	0.000	1	109.6360	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCFF)(CCHO)(OH)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	C(CCFF)(CCHO)(OH)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	107.0120	0.000	1	107.0120	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	108.2810	0.000	1	108.2810	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	108.0410	0.799	4	108.0410	0.638	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	109.4915	0.499	4	109.4915	0.249	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	109.1115	0.538	2	109.1115	0.290	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	H(CCCO)	108.3050	0.000	1	108.3050	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCO)	109.8710	0.000	1	109.8710	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	109.2730	0.000	1	109.2730	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	110.6205	0.059	2	110.6205	0.003	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.7927	0.346	3	108.7927	0.120	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	109.6515	0.175	2	109.6515	0.031	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OC)(H)	C(CC[6a]HH)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OC)(H)	C(CC[6a]HH)(CCHO)(OC)(H)	H(CCCO)	108.8680	0.000	1	108.8680	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	108.0385	0.463	2	108.0385	0.215	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	107.6746	1.100	21	107.6746	1.211	21	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OSi)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OSi)(H)	H(CCCO)	107.6630	0.000	1	107.6630	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	106.9360	0.000	1	106.9360	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(OSi)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(OSi)(H)	H(CCCO)	109.7510	0.000	1	109.7510	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.6100	0.123	2	108.6100	0.015	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	107.7162	0.789	5	107.7162	0.622	5	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	H(CCCO)	103.8040	0.000	1	103.8040	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	H(CCCO)	107.6950	0.000	1	107.6950	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OS)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OS)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	112.8840	0.000	1	112.8840	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	108.2820	0.000	1	108.2820	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	107.3410	0.000	1	107.3410	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(OSi)(H)	C(CC[5]HH)(CCHO)(OC)(H)	H(CCCO)	C(CCHH)(CCHO)(OSi)(H)	C(CC[5]HH)(CCHO)(OC)(H)	H(CCCO)	108.3910	0.000	1	108.3910	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	108.6350	0.000	1	108.6350	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	109.5840	0.000	1	109.5840	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OS)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OS)(H)	H(CCCO)	106.7810	0.000	1	106.7810	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	106.9730	2.712	2	106.9730	7.357	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	108.4110	0.000	1	108.4110	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	108.8270	0.000	1	108.8270	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	109.1430	0.000	1	109.1430	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	106.4050	0.000	1	106.4050	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OSi)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OSi)(H)	H(CCCO)	106.7530	0.000	1	106.7530	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	100.7716	10.292	4	100.7716	105.932	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	108.8910	0.000	1	108.8910	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OC)(H)	C(CCFF)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	C(CCFF)(CCHO)(OH)(H)	H(CCCO)	106.1240	0.000	1	106.1240	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	107.4127	1.389	7	107.4127	1.928	7	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	107.4530	0.000	1	107.4530	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CCCO)	107.5110	0.000	1	107.5110	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OH)(H)	C(CCFF)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CC3)(OH)(H)	C(CCFF)(CCHO)(OC)(H)	H(CCCO)	108.2060	0.000	1	108.2060	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	107.3790	0.000	1	107.3790	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	107.8630	0.677	2	107.8630	0.459	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	107.3870	0.000	1	107.3870	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCHS)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CCHS)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.7090	0.000	1	108.7090	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.2830	0.000	1	108.2830	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	109.5040	0.000	1	109.5040	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	106.7270	0.000	1	106.7270	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	107.5851	0.973	8	107.5851	0.947	8	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	107.1090	2.520	3	107.1090	6.350	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(OP)(H)	C(CCHO)(CH3)(OP)(H)	H(CCCO)	C(CCHO)(CH3)(OP)(H)	C(CCHO)(CH3)(OP)(H)	H(CCCO)	108.7685	0.648	2	108.7685	0.420	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CH3)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	108.7930	0.000	1	108.7930	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	109.4960	0.000	1	109.4960	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.1714	0.877	8	108.1714	0.769	8	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(CHOP)(OS)(H)	H(CCCO)	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(CHOP)(OS)(H)	H(CCCO)	107.8300	0.000	1	107.8300	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	109.6960	0.488	2	109.6960	0.238	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHN)(CCHO)(OSi)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHN)(CCHO)(OSi)(H)	H(CCCO)	110.3360	0.000	1	110.3360	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	107.9690	1.713	6	107.9690	2.935	6	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	109.2588	1.019	14	109.2588	1.039	14	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	H(CCCO)	110.0359	0.327	10	110.0359	0.107	10	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	H(CCCO)	108.4765	0.603	2	108.4765	0.364	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	H(CCCO)	108.7760	0.000	1	108.7760	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CCCO)	108.8250	0.000	1	108.8250	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HH)(CCHO)(OC)(H)	H(CCCO)	109.7590	0.000	1	109.7590	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CCCO)	108.7900	0.000	1	108.7900	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	H(CCCO)	108.9100	0.000	1	108.9100	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	107.8160	0.129	2	107.8160	0.017	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	109.3590	0.000	1	109.3590	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	108.3540	0.000	1	108.3540	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	108.6575	0.332	2	108.6575	0.110	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.3760	0.000	1	108.3760	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.8586	1.214	68	108.8586	1.474	68	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)(CHHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	109.1167	0.633	3	109.1167	0.400	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(CHHO)(ON)(H)	H(CCCO)	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(CHHO)(ON)(H)	H(CCCO)	109.8350	0.180	2	109.8350	0.032	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OS)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OS)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CCCO)	108.6705	0.564	4	108.6705	0.318	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHP)(OC)(H)	C(CCHO)(CHHP)(OC)(H)	H(CCCO)	C(CCHO)(CHHP)(OC)(H)	C(CCHO)(CHHP)(OC)(H)	H(CCCO)	108.6725	0.414	2	108.6725	0.171	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(CHHS)(OH)(H)	H(CCCO)	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(CHHS)(OH)(H)	H(CCCO)	108.6115	0.151	2	108.6115	0.023	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(CHHS)(ORe)(H)	H(CCCO)	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(CHHS)(ORe)(H)	H(CCCO)	110.2910	0.000	1	110.2910	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHOP)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CHOP)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	109.2310	0.163	2	109.2310	0.026	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(CHHN)(OSi)(H)	H(CCCO)	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(CHHN)(OSi)(H)	H(CCCO)	108.0880	0.000	1	108.0880	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHOS)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)(CHOS)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.5510	0.000	1	108.5510	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	H(CCCO)	108.2920	0.577	3	108.2920	0.333	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCCO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCCO)(CCHO)(OC)(H)	H(CCCO)	109.3760	1.607	2	109.3760	2.581	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	108.7327	0.812	3	108.7327	0.660	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	107.9200	0.180	2	107.9200	0.032	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	108.5390	0.000	1	108.5390	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	108.4943	1.080	6	108.4943	1.167	6	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OH)(H)	H(CCCO)	108.1150	0.000	1	108.1150	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CCHS)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CCHS)(OC)(H)	H(CCCO)	110.0940	0.000	1	110.0940	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHHN)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CHHN)(OC)(H)	H(CCCO)	110.2040	0.000	1	110.2040	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	109.4025	0.520	15	109.4025	0.270	15	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	108.6900	0.000	1	108.6900	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHOP)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CHOP)(OC)(H)	H(CCCO)	108.9465	0.387	2	108.9465	0.150	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)(CHOS)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)(CHOS)(OC)(H)	H(CCCO)	109.8190	0.000	1	109.8190	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.8144	1.778	10	108.8144	3.161	10	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	H(CCCO)	109.2150	0.000	1	109.2150	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CCCO)	109.1217	1.348	3	109.1217	1.816	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CCCO)	109.2120	0.000	1	109.2120	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CC[6a]HH)(CCHO)(OSi)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CC[6a]HH)(CCHO)(OSi)(H)	H(CCCO)	108.1370	0.000	1	108.1370	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OC)(H)	C(CClHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OC)(H)	C(CClHH)(CCHO)(OC)(H)	H(CCCO)	109.3490	0.000	1	109.3490	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	108.6650	0.519	2	108.6650	0.269	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	107.6925	1.865	2	107.6925	3.477	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	108.3102	0.839	5	108.3102	0.704	5	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	109.8600	0.000	1	109.8600	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	106.0620	0.000	1	106.0620	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CFHH)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CFHH)(OH)(H)	H(CCCO)	107.9990	0.000	1	107.9990	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OC)(H)	H(CCCO)	107.6160	0.000	1	107.6160	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OH)(H)	H(CCCO)	106.0723	4.096	3	106.0723	16.779	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	H(CCCO)	108.0204	1.058	8	108.0204	1.119	8	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	108.1140	1.078	10	108.1140	1.161	10	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	108.1712	1.120	64	108.1712	1.255	64	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.4279	1.227	69	108.4279	1.506	69	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CCHO)2(OSi)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CCHO)2(OSi)(H)	H(CCCO)	105.7960	0.000	1	105.7960	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	H(CCCO)	107.8510	0.000	1	107.8510	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	109.4090	0.000	1	109.4090	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	H(CCCO)	107.6780	0.000	1	107.6780	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OSi)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CCHO)2(OSi)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	108.6130	0.000	1	108.6130	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(OSi)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CCHO)2(OSi)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.5380	0.000	1	108.5380	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	109.2705	0.637	2	109.2705	0.406	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]HH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CC[3]HH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.3400	0.000	1	108.3400	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CC[3]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	109.1260	0.000	1	109.1260	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5,5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CC[5,5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.3330	0.000	1	108.3330	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]CH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]CH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CCCO)	108.5130	0.000	1	108.5130	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	108.0950	0.000	1	108.0950	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	H(CCCO)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	H(CCCO)	108.7310	0.000	1	108.7310	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(OC)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HH)(CCHO)(OC)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	H(CCCO)	109.2770	0.000	1	109.2770	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CCCO)	108.7660	0.754	2	108.7660	0.568	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	109.3830	0.000	1	109.3830	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OS)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OS)(H)	H(CCCO)	108.7180	0.094	4	108.7180	0.009	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	107.7113	3.260	3	107.7113	10.628	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCO)	110.4190	2.252	4	110.4190	5.070	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	H(CCCO)	107.5533	1.279	3	107.5533	1.635	3	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	108.3700	0.000	1	108.3700	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OH)(H)	H(CCCO)	108.7465	0.059	2	108.7465	0.003	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5a]CH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	H(CCCO)	C(CC[5a]CH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	H(CCCO)	107.5460	0.000	1	107.5460	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	C(CC[5a]HO)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	H(CCCO)	109.2170	0.000	1	109.2170	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CC[6]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	110.2750	0.000	1	110.2750	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HH)(CCHO)(OH)(H)	C(CC[6]HH)(CCHO)(OH)(H)	H(CCCO)	C(CC[6]HH)(CCHO)(OH)(H)	C(CC[6]HH)(CCHO)(OH)(H)	H(CCCO)	107.2655	1.184	2	107.2655	1.403	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	H(CCCO)	108.2750	0.000	1	108.2750	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	110.1540	0.000	1	110.1540	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	110.0780	0.000	1	110.0780	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]2O)(CCHO)(OH)(H)	C(CC[6a]2O)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]2O)(CCHO)(OH)(H)	C(CC[6a]2O)(CCHO)(OH)(H)	H(CCCO)	108.3232	0.889	6	108.3232	0.790	6	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	C(CC[6a]HH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	H(CCCO)	109.7020	0.000	1	109.7020	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	H(CCCO)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(OH)(H)	H(CCCO)	108.5710	0.764	4	108.5710	0.584	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OSi)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CC[6a]HH)(CCHO)(OSi)(H)	C(CCHO)2(OC)(H)	H(CCCO)	108.5060	0.000	1	108.5060	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(OTi)(H)	C(CC[6a]HH)(CCHO)(OTi)(H)	H(CCCO)	C(CC[6a]HH)(CCHO)(OTi)(H)	C(CC[6a]HH)(CCHO)(OTi)(H)	H(CCCO)	107.8040	0.068	2	107.8040	0.005	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CC[6a]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	109.2630	0.000	1	109.2630	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	C(CClCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	H(CCCO)	109.7280	0.000	1	109.7280	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClCH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	H(CCCO)	C(CClCH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	H(CCCO)	109.6250	0.338	4	109.6250	0.114	4	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CClHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	C(CClHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	H(CCCO)	109.3110	0.000	1	109.3110	0.000	1	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CN[6a]HH)(CCHO)(OH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	H(CCCO)	C(CN[6a]HH)(CCHO)(OH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	H(CCCO)	108.5125	0.711	2	108.5125	0.505	2	108.4393	2.584	559	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHO)(CCHS)(OC)(H)	C(CCHO)(CHHN)(SC)(H)	H(CCCO)	C(CCHO)(CCHS)(OC)(H)	C(CCHO)(CHHN)(SC)(H)	H(CCCO)	108.6370	0.000	1	108.6370	0.000	1	108.6370	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(CCHO)(CHOP)(OC)(H)	C(CCHO)(PO3)(OH)(H)	H(CCCO)	C(CCHO)(CHOP)(OC)(H)	C(CCHO)(PO3)(OH)(H)	H(CCCO)	109.2405	0.138	2	109.2405	0.019	2	109.3500	0.045	3	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(PO3)(OH)(H)	H(CCCO)	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(PO3)(OH)(H)	H(CCCO)	109.5690	0.000	1	109.5690	0.000	1	109.3500	0.045	3	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHO)(OC)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[3]HO)(CCHO)(OC)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	H(CCCO)	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CH3)(OC)(H)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[4]HO)(CH3)(OC)(H)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	H(CCCO)	109.7250	0.000	1	109.7250	0.000	1	110.9665	3.083	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(CC[4]HO)(CHHO)(OC)(H)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[4]HO)(CHHO)(OC)(H)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	H(CCCO)	112.2080	0.000	1	112.2080	0.000	1	110.9665	3.083	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5,5]-4:C-4:O-2:H-1:	C-4:	C(CC[5,5]HO)(CCHO)(OC)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	H(CCCO)	C(CC[5,5]HO)(CCHO)(OC)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	H(CCCO)	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCCH)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	H(CCCO)	108.7910	0.768	4	108.7910	0.590	4	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	106.1060	0.000	1	106.1060	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	H(CCCO)	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	H(CCCO)	108.3790	0.000	1	108.3790	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CCHH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	109.3120	0.000	1	109.3120	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	H(CCCO)	108.4847	0.046	3	108.4847	0.002	3	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	H(CCCO)	110.3110	1.278	2	110.3110	1.634	2	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	109.4220	0.000	1	109.4220	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	109.7030	0.000	1	109.7030	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	H(CCCO)	108.7225	0.063	2	108.7225	0.004	2	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	109.7330	0.827	3	109.7330	0.684	3	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	H(CCCO)	112.6855	4.968	4	112.6855	24.682	4	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	108.2200	0.000	1	108.2200	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CClCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CClCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	108.5350	0.000	1	108.5350	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	109.1280	0.282	4	109.1280	0.079	4	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHN)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CHHN)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	102.3300	0.000	1	102.3300	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	H(CCCO)	107.5485	0.067	2	107.5485	0.005	2	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	H(CCCO)	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	H(CCCO)	108.3745	0.159	2	108.3745	0.025	2	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	H(CCCO)	107.8470	0.000	1	107.8470	0.000	1	109.0525	5.904	35	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[6]HO)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	H(CCCO)	107.9630	0.000	1	107.9630	0.000	1	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	H(CCCO)	109.0925	0.103	2	109.0925	0.011	2	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	H(CCCO)	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	H(CCCO)	109.4180	0.000	1	109.4180	0.000	1	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	H(CCCO)	110.2550	0.000	1	110.2550	0.000	1	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]2O)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]2O)(CCHO)(OC)(H)	H(CCCO)	108.2180	0.000	1	108.2180	0.000	1	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	H(CCCO)	110.1470	0.000	1	110.1470	0.000	1	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	H(CCCO)	C(CC[6]HO)(CCHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	H(CCCO)	109.3820	0.000	1	109.3820	0.000	1	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CH3)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	H(CCCO)	109.1520	0.000	1	109.1520	0.000	1	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	H(CCCO)	109.6350	0.136	2	109.6350	0.018	2	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	H(CCCO)	108.2820	1.127	2	108.2820	1.270	2	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(CCCO)	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	H(CCCO)	109.3323	0.716	3	109.3323	0.513	3	109.1594	0.602	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHN)(SC)(H)	C(CCHO)(CCHS)(OC)(H)	H(CCCS)	C(CCHO)(CHHN)(SC)(H)	C(CCHO)(CCHS)(OC)(H)	H(CCCS)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(SC)(H)	H(CCCS)	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(SC)(H)	H(CCCS)	107.7790	1.566	2	107.7790	2.451	2	107.7790	2.451	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:P-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OC)(H)	H(CCOP)	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OC)(H)	H(CCOP)	108.5545	0.293	2	108.5545	0.086	2	107.7523	1.973	3	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C-4:P-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OS)(H)	H(CCOP)	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OS)(H)	H(CCOP)	106.1480	0.000	1	106.1480	0.000	1	107.7523	1.973	3	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	H(CC[3]CO)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	H(CC[3]CO)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CH3)(OC)(H)	H(CC[4]CO)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CH3)(OC)(H)	H(CC[4]CO)	109.6130	0.000	1	109.6130	0.000	1	109.1935	0.352	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CHHO)(OC)(H)	H(CC[4]CO)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	C(CC[4]HO)(CHHO)(OC)(H)	H(CC[4]CO)	108.7740	0.000	1	108.7740	0.000	1	109.1935	0.352	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[4]-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	H(CC[4]CO)	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	C(C[4]C[4]2Fe)(CC[4]HO)(OC)(H)	H(CC[4]CO)	109.6610	0.423	2	109.6610	0.179	2	109.6610	0.179	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5,5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	H(CC[5,5]CO)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	H(CC[5,5]CO)	108.1600	0.000	1	108.1600	0.000	1	108.1600	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	H(CC[5,6]CO)	109.2730	0.028	2	109.2730	0.001	2	109.4286	0.068	5	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	H(CC[5,6]CO)	109.5323	0.309	3	109.5323	0.096	3	109.4286	0.068	5	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)(CC)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)(CC)(H)	H(CC[5]CO)	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NC)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NC)(H)	H(CC[5]CO)	108.1250	0.000	1	108.1250	0.000	1	107.2325	1.593	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C(CC[5]HO)(CCHN)(NN)(H)	H(CC[5]CO)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C(CC[5]HO)(CCHN)(NN)(H)	H(CC[5]CO)	106.3400	0.000	1	106.3400	0.000	1	107.2325	1.593	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	108.2343	0.349	4	108.2343	0.122	4	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CHHO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CHHO)(OH)(H)	H(CC[5]CO)	108.7175	0.047	2	108.7175	0.002	2	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C(CC[5]HO)(CHHO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C(CC[5]HO)(CHHO)(OH)(H)	H(CC[5]CO)	107.3135	0.779	2	107.3135	0.606	2	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	110.4800	1.192	2	110.4800	1.421	2	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OC)(H)	H(CC[5]CO)	108.2713	0.701	4	108.2713	0.492	4	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	107.7120	0.643	2	107.7120	0.414	2	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHH)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHH)(OC)(H)	H(CC[5]CO)	109.4980	0.000	1	109.4980	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	108.4470	0.000	1	108.4470	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CC[6]HH)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CC[6]HH)(OH)(H)	H(CC[5]CO)	108.7210	0.000	1	108.7210	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CH3)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CC[5]HO)(CH3)(OC)(H)	H(CC[5]CO)	108.7535	0.105	4	108.7535	0.011	4	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC[5]CO)	108.1300	0.000	1	108.1300	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OC)(H)	H(CC[5]CO)	108.6150	0.000	1	108.6150	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	107.5867	0.654	3	107.5867	0.428	3	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CClCH)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CClCH)(OH)(H)	H(CC[5]CO)	108.3830	0.000	1	108.3830	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHN)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHN)(OH)(H)	H(CC[5]CO)	110.5600	0.000	1	110.5600	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CHHO)(OH)(H)	H(CC[5]CO)	111.1090	0.000	1	111.1090	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC[5]CO)	110.0500	0.000	1	110.0500	0.000	1	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	H(CC[5]CO)	108.8420	3.948	4	108.8420	15.586	4	108.6423	2.331	36	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	H(CC[5]CO)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	H(CC[5]CO)	110.2685	0.542	2	110.2685	0.294	2	109.9796	0.242	5	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	H(CC[5]CO)	109.7870	0.445	3	109.7870	0.198	3	109.9796	0.242	5	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	C(C[5]C[5]2Fe)(CC[5]HO)(OH)(H)	H(CC[5]CO)	107.6307	0.568	6	107.6307	0.323	6	107.9056	0.513	14	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	H(CC[5]CO)	107.6495	0.971	2	107.6495	0.943	2	107.9056	0.513	14	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	H(CC[5]CO)	108.2660	0.741	6	108.2660	0.549	6	107.9056	0.513	14	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:N-2:H-1:	C[6]-4:C-4:N-2:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	H(CC[6]CN)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	H(CC[6]CN)	108.5885	0.019	2	108.5885	0.000	2	108.5885	0.000	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)2(CC)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)2(CC)(H)	H(CC[6]CO)	107.8205	0.127	2	107.8205	0.016	2	107.8205	0.016	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	H(CC[6]CO)	107.3990	0.361	2	107.3990	0.130	2	107.3990	0.130	2	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	H(CC[6]CO)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	H(CC[6]CO)	108.6200	1.083	2	108.6200	1.174	2	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CH3)(OC)(H)	H(CC[6]CO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CH3)(OC)(H)	H(CC[6]CO)	107.8500	0.000	1	107.8500	0.000	1	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	H(CC[6]CO)	108.7465	0.606	2	108.7465	0.367	2	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CC[6]CO)	108.7160	0.000	1	108.7160	0.000	1	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2O)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]2O)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CC[6]CO)	108.7380	0.000	1	108.7380	0.000	1	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	H(CC[6]CO)	109.4645	0.206	2	109.4645	0.042	2	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CHHO)(OC)(H)	H(CC[6]CO)	109.0670	0.741	3	109.0670	0.549	3	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCCH)(OH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCCH)(OH)(H)	H(CC[6]CO)	108.0290	0.000	1	108.0290	0.000	1	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHO)(OH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CC[6]HO)(CCHO)(OH)(H)	H(CC[6]CO)	108.5020	0.000	1	108.5020	0.000	1	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C(CC[6]HO)(CCHH)(OH)(H)	H(CC[6]CO)	106.7280	0.000	1	106.7280	0.000	1	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CC[6]CO)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	H(CC[6]CO)	108.2600	0.000	1	108.2600	0.000	1	108.6054	0.628	16	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:2:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	C(C[6]C[6]2H)(CC[6]HO)(OH)(H)	H(CC[6]CO)	107.5626	0.995	32	107.5626	0.990	32	107.5626	0.990	32	108.4490	2.486	782	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[5]HH)(CCHN)(CN)(H)	C(CCCH)(CCHH)(NHS)(H)	H(CC3)	C(CC[5]HH)(CCHN)(CN)(H)	C(CCCH)(CCHH)(NHS)(H)	H(CC3)	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(NN)(H)	C(CCHN)(CHHS)(CCH)(H)	H(CCCN)	C(CCCH)(CCHH)(NN)(H)	C(CCHN)(CHHS)(CCH)(H)	H(CCCN)	109.0590	0.000	1	109.0590	0.000	1	108.3395	1.035	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(NC)(H)	C(CCHN)(CH3)(COO)(H)	H(CCCN)	C(CCCH)2(NC)(H)	C(CCHN)(CH3)(COO)(H)	H(CCCN)	107.6200	0.000	1	107.6200	0.000	1	108.3395	1.035	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:Br-1:	C-4:	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)(COO)(Br)	H(CCCO)	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)(COO)(Br)	H(CCCO)	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	107.6740	0.000	1	107.6740	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	107.4530	0.000	1	107.4530	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	107.9200	0.000	1	107.9200	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	109.0553	0.586	4	109.0553	0.344	4	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	109.2260	0.550	5	109.2260	0.302	5	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	H(CCCO)	107.2100	0.000	1	107.2100	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CCO)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CCO)(H)	H(CCCO)	108.7680	0.000	1	108.7680	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CNO)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CNO)(H)	H(CCCO)	108.0060	0.684	3	108.0060	0.468	3	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(COO)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(COO)(H)	H(CCCO)	108.0152	0.734	4	108.0152	0.538	4	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	107.3890	0.000	1	107.3890	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	108.3543	0.055	3	108.3543	0.003	3	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	107.1080	0.000	1	107.1080	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	109.2810	0.000	1	109.2810	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	109.9380	0.245	2	109.9380	0.060	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	106.7355	0.050	2	106.7355	0.003	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	H(CCCO)	106.9520	0.000	1	106.9520	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	109.2240	0.250	2	109.2240	0.063	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	109.0400	0.000	1	109.0400	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	107.4780	0.968	5	107.4780	0.937	5	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CH3)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	108.2680	0.000	1	108.2680	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CCHO)(CCHS)(CNO)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CCHO)(CCHS)(CNO)(H)	H(CCCO)	109.8410	0.000	1	109.8410	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	H(CCCO)	107.2630	0.000	1	107.2630	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	H(CCCO)	106.5630	0.000	1	106.5630	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	H(CCCO)	108.9060	0.082	2	108.9060	0.007	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	H(CCCO)	104.6120	0.000	1	104.6120	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(OS)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	H(CCCO)	C(CCCH)(CH3)(OS)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	H(CCCO)	108.7365	0.626	2	108.7365	0.392	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHH)(CCHO)(CNO)(H)	H(CCCO)	C(CCCH)(CHHO)(OC)(H)	C(CCHH)(CCHO)(CNO)(H)	H(CCCO)	107.5440	0.000	1	107.5440	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	109.7620	0.000	1	109.7620	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	107.4490	0.824	2	107.4490	0.680	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	108.8600	0.000	1	108.8600	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	108.7900	0.000	1	108.7900	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	108.9010	0.000	1	108.9010	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	108.4607	0.700	3	108.4607	0.490	3	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CCS)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CCS)(H)	H(CCCO)	108.2010	0.000	1	108.2010	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	106.7760	0.000	1	106.7760	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	108.1697	0.337	14	108.1697	0.114	14	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	107.9301	1.331	10	107.9301	1.772	10	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	106.3342	0.676	4	106.3342	0.457	4	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	108.0760	0.000	1	108.0760	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCS)(H)	H(CCCO)	107.5443	0.841	3	107.5443	0.707	3	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	108.1420	0.000	1	108.1420	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CC[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	109.1510	0.000	1	109.1510	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CC[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	107.2760	2.048	2	107.2760	4.193	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	108.4220	0.000	1	108.4220	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	H(CCCO)	106.2140	0.000	1	106.2140	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	103.7560	0.000	1	103.7560	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	H(CCCO)	107.6505	0.906	2	107.6505	0.820	2	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CCHO)(CH3)(CCC)(H)	H(CCCO)	107.6030	0.000	1	107.6030	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	C(CC[6a]HO)(CCCH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	H(CCCO)	105.4430	0.000	1	105.4430	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CN[5]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	H(CCCO)	C(CN[5]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)(CNO)(H)	H(CCCO)	107.3630	0.000	1	107.3630	0.000	1	107.9818	1.363	105	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCC)(H)	H(CCCO)	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCC)(H)	H(CCCO)	110.1130	0.000	1	110.1130	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	109.7470	0.000	1	109.7470	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	H(CCCO)	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	H(CCCO)	108.2910	0.000	1	108.2910	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CCCO)	106.7320	0.000	1	106.7320	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	H(CCCO)	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	H(CCCO)	108.3050	0.000	1	108.3050	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCCH)(CCHO)(NCC)(H)	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	C(CCCH)(CCHO)(NCC)(H)	H(CCCO)	108.7680	0.000	1	108.7680	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CH3)(NHS)(H)	H(CCCO)	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CH3)(NHS)(H)	H(CCCO)	108.0760	0.000	1	108.0760	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CCCO)	108.9653	0.521	3	108.9653	0.272	3	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	108.1250	0.000	1	108.1250	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	108.5874	0.826	5	108.5874	0.682	5	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	H(CCCO)	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	H(CCCO)	107.9005	1.505	2	107.9005	2.266	2	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CC3)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CC3)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	107.4100	0.000	1	107.4100	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	108.6410	0.000	1	108.6410	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	H(CCCO)	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	H(CCCO)	109.8180	0.000	1	109.8180	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CCCO)	110.0880	0.000	1	110.0880	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	H(CCCO)	108.1210	1.131	3	108.1210	1.278	3	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	H(CCCO)	107.6440	1.704	2	107.6440	2.904	2	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	H(CCCO)	107.0600	0.000	1	107.0600	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	106.7770	0.000	1	106.7770	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	H(CCCO)	105.9585	2.109	2	105.9585	4.449	2	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CHHO)(NCC)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CHHO)(NCC)(H)	H(CCCO)	108.6600	0.000	1	108.6600	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CHHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	108.2503	0.918	3	108.2503	0.843	3	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(CCHO)(NCC)(H)	H(CCCO)	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(CCHO)(NCC)(H)	H(CCCO)	109.2560	0.000	1	109.2560	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	H(CCCO)	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	H(CCCO)	105.6680	0.000	1	105.6680	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	C(CCHN)(CHHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	105.9250	0.000	1	105.9250	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	109.7160	0.000	1	109.7160	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	H(CCCO)	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	H(CCCO)	108.5560	0.000	1	108.5560	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)2(OH)(H)	C(CCHO)(CHOO)(NOO)(H)	H(CCCO)	C(CCHN)2(OH)(H)	C(CCHO)(CHOO)(NOO)(H)	H(CCCO)	110.5280	0.000	1	110.5280	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)2(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	C(CCHN)2(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	109.4430	0.000	1	109.4430	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	C(CC[6a]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	H(CCCO)	106.9010	0.000	1	106.9010	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CN[6]HH)(CCHN)(OC)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	C(CN[6]HH)(CCHN)(OC)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	109.4230	0.240	2	109.4230	0.058	2	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CN[6]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	C(CN[6]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	H(CCCO)	109.4450	0.065	2	109.4450	0.004	2	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CSeCC)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	H(CCCO)	C(CSeCC)(CCHN)(OH)(H)	C(CCHO)(CH3)(NCC)(H)	H(CCCO)	108.8290	0.000	1	108.8290	0.000	1	108.3567	1.676	48	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OFeC)(H)	H(CCCO)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OFeC)(H)	H(CCCO)	108.6690	0.238	2	108.6690	0.056	2	108.6690	0.056	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(NCHH)(CCH)(H)	H(CCCO)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(NCHH)(CCH)(H)	H(CCCO)	108.5390	0.000	1	108.5390	0.000	1	109.4443	2.300	33	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(CNO)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(CNO)(H)	H(CCCO)	109.9530	0.000	1	109.9530	0.000	1	109.4443	2.300	33	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(COO)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(COO)(H)	H(CCCO)	109.5950	1.545	28	109.5950	2.387	28	109.4443	2.300	33	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(OP)(H)	C(CCHO)(NH3)(COO)(H)	H(CCCO)	C(CCHN)(CH3)(OP)(H)	C(CCHO)(NH3)(COO)(H)	H(CCCO)	108.8220	0.140	2	108.8220	0.020	2	109.4443	2.300	33	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CC[6]HH)(CCHN)(OC)(H)	C(CCHO)(NH3)(COO)(H)	H(CCCO)	C(CC[6]HH)(CCHN)(OC)(H)	C(CCHO)(NH3)(COO)(H)	H(CCCO)	106.8660	0.000	1	106.8660	0.000	1	109.4443	2.300	33	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCCH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	H(CCCO)	111.4500	0.000	1	111.4500	0.000	1	110.4070	2.176	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CHHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	H(CCCO)	C(CC[6]CH)(CHHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	H(CCCO)	109.3640	0.000	1	109.3640	0.000	1	110.4070	2.176	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(OH)(H)	C(NCuHH)(CCHO)(COO)(H)	H(CCCO)	C(CCHN)(CH3)(OH)(H)	C(NCuHH)(CCHO)(COO)(H)	H(CCCO)	108.8875	0.006	2	108.8875	0.000	2	108.8875	0.000	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(SC)(H)	C(CCCH)(CCHS)(NCH)(H)	H(CCCS)	C(CCHH)(CCHN)(SC)(H)	C(CCCH)(CCHS)(NCH)(H)	H(CCCS)	107.8390	0.000	1	107.8390	0.000	1	107.1950	0.652	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(SS)(H)	C(CCHH)(CCHS)(NHS)(H)	H(CCCS)	C(CCHH)(CCHN)(SS)(H)	C(CCHH)(CCHS)(NHS)(H)	H(CCCS)	107.7903	0.348	3	107.7903	0.121	3	107.1950	0.652	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(SS)(H)	C(CCCH)(CCHS)(NHS)(H)	H(CCCS)	C(CCHN)(CH3)(SS)(H)	C(CCCH)(CCHS)(NHS)(H)	H(CCCS)	106.5875	0.675	4	106.5875	0.456	4	107.1950	0.652	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C-4:P-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(PO3)(OH)(H)	C(CC[6a]HH)(CHOP)(NCC)(H)	H(CCOP)	C(CCHN)(PO3)(OH)(H)	C(CC[6a]HH)(CHOP)(NCC)(H)	H(CCOP)	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(CC[3]HO)(CHHO)(CCO)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(CC[3]HO)(CHHO)(CCO)(H)	H(CC[3]CO)	108.9980	0.000	1	108.9980	0.000	1	109.1305	0.854	4	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHH)(CCC)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHH)(CCC)(H)	H(CC[3]CO)	107.8840	0.000	1	107.8840	0.000	1	109.1305	0.854	4	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	C(CC[3]HO)(CHHS)(CCC)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	C(CC[3]HO)(CHHS)(CCC)(H)	H(CC[3]CO)	109.8200	0.197	2	109.8200	0.039	2	109.1305	0.854	4	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:N-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	H(CC[5]CN)	108.0280	0.000	1	108.0280	0.000	1	108.0280	0.000	1	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CCC)(H)	H(CC[5]CO)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CCC)(H)	H(CC[5]CO)	107.6440	0.000	1	107.6440	0.000	1	108.1380	0.910	9	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CCH)(H)	H(CC[5]CO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CCH)(H)	H(CC[5]CO)	107.9458	1.042	6	107.9458	1.086	6	108.1380	0.910	9	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CNO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)(CNO)(H)	H(CC[5]CO)	109.0710	0.000	1	109.0710	0.000	1	108.1380	0.910	9	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CF3)(CCH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C(CC[5]HO)(CF3)(CCH)(H)	H(CC[5]CO)	108.8520	0.000	1	108.8520	0.000	1	108.1380	0.910	9	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NOO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CC[5]HO)(CCHH)(NOO)(H)	H(CC[5]CO)	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	H(CC[5]CO)	108.3905	0.097	2	108.3905	0.009	2	108.3905	0.009	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)(CCH)(H)	H(CC[6]CO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)(CCH)(H)	H(CC[6]CO)	107.1740	0.000	1	107.1740	0.000	1	108.4370	1.159	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	H(CC[6]CO)	108.7090	0.000	1	108.7090	0.000	1	108.4370	1.159	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)(CCH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)(CCH)(H)	H(CC[6]CO)	108.3910	0.000	1	108.3910	0.000	1	108.4370	1.159	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)(CCH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)(CCH)(H)	H(CC[6]CO)	108.6963	1.435	4	108.6963	2.058	4	108.4370	1.159	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	H(CC[6]CO)	108.4370	0.000	1	108.4370	0.000	1	108.4370	1.159	8	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	H(CC[6]CO)	107.9530	0.000	1	107.9530	0.000	1	108.3795	0.364	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2H)(CCHN)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCHN)(OH)(H)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	H(CC[6]CO)	108.8060	0.000	1	108.8060	0.000	1	108.3795	0.364	2	108.3392	1.722	232	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:C-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)(CC)(H)	C(CCCH)(CH3)(CCH)(OC)	H(CC3)	C(CCCO)(CH3)(CC)(H)	C(CCCH)(CH3)(CCH)(OC)	H(CC3)	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NC)	H(CCCN)	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NC)	H(CCCN)	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(COO)(OH)	H(CCCO)	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(COO)(OH)	H(CCCO)	107.8810	0.000	1	107.8810	0.000	1	106.7064	2.210	7	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	H(CCCO)	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	H(CCCO)	105.4650	1.488	2	105.4650	2.213	2	106.7064	2.210	7	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CBrCH)(CCHO)(COO)(OH)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CBrCH)(CCHO)(COO)(OH)	H(CCCO)	106.6080	0.000	1	106.6080	0.000	1	106.7064	2.210	7	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHO)(OSi)(H)	C(CCCO)(CCHO)(COO)(OSi)	H(CCCO)	C(CCCO)(CCHO)(OSi)(H)	C(CCCO)(CCHO)(COO)(OSi)	H(CCCO)	105.4000	0.000	1	105.4000	0.000	1	106.7064	2.210	7	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)(OH)(H)	C(CCHO)(CH3)(CNO)(OH)	H(CCCO)	C(CCCO)(CH3)(OH)(H)	C(CCHO)(CH3)(CNO)(OH)	H(CCCO)	108.8330	0.000	1	108.8330	0.000	1	106.7064	2.210	7	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[6]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	H(CCCO)	C(CC[6]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCH)(OH)	H(CCCO)	107.2930	0.000	1	107.2930	0.000	1	106.7064	2.210	7	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	C(CC[3]HO)(CH3)(CCC)(OH)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	C(CC[3]HO)(CH3)(CCC)(OH)	H(CC[3]CO)	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:2:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CH3)(CCO)(OH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CH3)(CCO)(OH)	H(CC[5]CO)	109.9137	0.216	4	109.9137	0.046	4	109.9137	0.046	4	107.9400	3.321	14	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:3:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	H(CCCN)	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	H(CCCN)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.1955	0.053	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:3:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)(OH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	H(CCCO)	C(CCCN)(CH3)(OH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	H(CCCO)	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.1955	0.053	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CCHN)(NS)(H)	C(CCHN)(CH3)2(Cl)	H(CCCN)	C(CClCC)(CCHN)(NS)(H)	C(CCHN)(CH3)2(Cl)	H(CCCN)	107.5350	0.000	1	107.5350	0.000	1	107.5350	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCHO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.3920	0.000	1	107.3920	0.000	1	108.7397	0.404	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CH3)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	109.2070	0.458	2	109.2070	0.210	2	108.7397	0.404	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.8836	0.467	11	108.8836	0.218	11	108.7397	0.404	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	109.0290	0.140	3	109.0290	0.020	3	108.7397	0.404	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)2(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.5730	0.000	1	107.5730	0.000	1	108.7397	0.404	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]2O)(CCCH)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CC[6a]2O)(CCCH)(NC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.8690	0.000	1	107.8690	0.000	1	108.7397	0.404	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(CBrHH)(OH)(H)	C(CClCH)(CCHO)(CH3)(Br)	H(CCCO)	C(CBrCC)(CBrHH)(OH)(H)	C(CClCH)(CCHO)(CH3)(Br)	H(CCCO)	106.8750	0.000	1	106.8750	0.000	1	107.5165	0.823	2	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:Br-1:	C-4:	C(CBrCC)(CCHH)(OC)(H)	C(CCHO)(CH3)2(Br)	H(CCCO)	C(CBrCC)(CCHH)(OC)(H)	C(CCHO)(CH3)2(Br)	H(CCCO)	108.1580	0.000	1	108.1580	0.000	1	107.5165	0.823	2	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CC[6a]HN)(CCCF)(OH)(H)	C(CCHO)(CH3)2(F)	H(CCCO)	C(CC[6a]HN)(CCCF)(OH)(H)	C(CCHO)(CH3)2(F)	H(CCCO)	105.7470	0.000	2	105.7470	0.000	2	105.7470	0.000	2	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CB[5]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.1690	0.000	1	108.1690	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.8280	0.000	1	108.8280	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	109.2810	0.000	1	109.2810	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	106.6810	0.000	1	106.6810	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	107.5915	0.039	2	107.5915	0.002	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.4110	0.000	1	108.4110	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	106.2223	1.748	3	106.2223	3.056	3	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	107.6110	0.000	1	107.6110	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(CCHO)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(CCHO)(H)	H(CCCO)	108.3780	0.000	2	108.3780	0.000	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	108.6140	0.000	2	108.6140	0.000	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)2(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)2(H)	H(CCCO)	108.1200	0.000	1	108.1200	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	108.8396	0.239	7	108.8396	0.057	7	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCHS)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCHS)(CH3)(H)	H(CCCO)	108.5660	0.000	1	108.5660	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	109.1877	0.427	3	109.1877	0.183	3	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	108.1170	0.000	1	108.1170	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.6753	0.342	4	108.6753	0.117	4	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CHHO)(H)	H(CCCO)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CHHO)(H)	H(CCCO)	108.0400	0.000	1	108.0400	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	107.5952	0.626	11	107.5952	0.392	11	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCHS)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCHS)(CH3)(H)	H(CCCO)	107.4315	0.206	2	107.4315	0.042	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.9850	0.000	1	108.9850	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHN)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHN)(CH3)(H)	H(CCCO)	107.2170	0.000	1	107.2170	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	108.8790	0.000	1	108.8790	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.1344	0.809	7	108.1344	0.654	7	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CHHO)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CHHO)(H)	H(CCCO)	106.1130	0.000	1	106.1130	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	H(CCCO)	108.1370	0.000	1	108.1370	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	H(CCCO)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	H(CCCO)	107.9220	0.000	1	107.9220	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	108.0470	0.000	1	108.0470	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.0543	1.256	13	108.0543	1.578	13	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.2740	0.000	1	108.2740	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCCO)(CCHO)(CHHO)(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCCO)(CCHO)(CHHO)(H)	H(CCCO)	108.4350	0.000	1	108.4350	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.2140	0.000	1	108.2140	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CHHO)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CHHO)(H)	H(CCCO)	106.8180	0.000	1	106.8180	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.7530	0.000	1	108.7530	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	H(CCCO)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	H(CCCO)	107.6315	0.682	2	107.6315	0.466	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	107.3390	0.000	1	107.3390	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	108.7020	0.000	1	108.7020	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CHHO)(H)	H(CCCO)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CHHO)(H)	H(CCCO)	107.1370	0.000	1	107.1370	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	109.3390	0.311	2	109.3390	0.097	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CH3)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	109.6230	0.690	3	109.6230	0.476	3	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	107.9090	0.000	1	107.9090	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.1770	0.000	1	108.1770	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	H(CCCO)	108.8730	0.000	1	108.8730	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CCCO)	109.3490	0.000	1	109.3490	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	H(CCCO)	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	H(CCCO)	109.5150	0.492	4	109.5150	0.242	4	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	107.9805	0.026	2	107.9805	0.001	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(OH)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)(CHHO)(OH)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	H(CCCO)	107.2210	0.000	1	107.2210	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.3740	1.052	2	108.3740	1.107	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHS)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.0367	0.865	3	108.0367	0.749	3	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	108.4461	0.474	10	108.4461	0.225	10	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.8053	0.262	11	108.8053	0.069	11	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.7549	0.315	27	108.7549	0.100	27	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	H(CCCO)	108.5450	0.000	1	108.5450	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	107.9770	0.000	1	107.9770	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	107.9529	0.601	9	107.9529	0.361	9	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	107.4539	1.247	9	107.4539	1.556	9	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	107.6632	0.870	5	107.6632	0.757	5	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	107.6623	0.645	47	107.6623	0.416	47	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	H(CCCO)	107.6600	0.206	2	107.6600	0.043	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CCCH)(CCHH)(CCHO)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CCCH)(CCHH)(CCHO)(H)	H(CCCO)	108.3680	0.000	2	108.3680	0.000	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CCCO)	108.0180	0.000	2	108.0180	0.000	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	107.9480	0.000	2	107.9480	0.000	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	107.5737	0.890	3	107.5737	0.793	3	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	H(CCCO)	107.8610	0.000	1	107.8610	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	H(CCCO)	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	H(CCCO)	107.9110	0.000	1	107.9110	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CCCH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	C(CC[3]CH)(CCCH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	H(CCCO)	108.3450	0.000	1	108.3450	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CCHO)2(H)	H(CCCO)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CCHO)2(H)	H(CCCO)	108.0530	0.000	1	108.0530	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]HH)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	H(CCCO)	C(CC[3]HH)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	H(CCCO)	107.1300	0.000	1	107.1300	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CC[3]HH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	106.2840	0.000	1	106.2840	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[4]CC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CC[4]CC)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	106.9315	4.758	2	106.9315	22.640	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[4]CC)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CC[4]CC)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	108.3440	0.000	1	108.3440	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5,5]HH)(CCCH)(OC)(H)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	H(CCCO)	C(CC[5,5]HH)(CCCH)(OC)(H)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	H(CCCO)	110.2060	0.000	1	110.2060	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CC[5]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	106.6033	0.115	4	106.6033	0.013	4	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CC[5]HH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.1840	0.000	1	108.1840	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HO)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]HO)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	108.7933	0.823	4	108.7933	0.677	4	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CC[6]CC)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	107.1935	0.056	2	107.1935	0.003	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	106.7060	0.000	1	106.7060	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	108.0910	0.000	1	108.0910	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HO)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]HO)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	107.8970	0.000	1	107.8970	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]2H)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CC[6a]2H)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	103.9220	0.000	1	103.9220	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCHO)2(CH3)(H)	H(CCCO)	109.0460	0.000	1	109.0460	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CC[6a]CH)(CCCH)(OH)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	107.9590	0.000	1	107.9590	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	109.9510	0.000	1	109.9510	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	H(CCCO)	107.6640	0.000	1	107.6640	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CN[5]CH)(CCCH)(OC)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	109.8415	0.025	2	109.8415	0.001	2	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6a]HS)(CCCH)(OSi)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	109.2330	0.000	1	109.2330	0.000	1	108.0988	0.969	267	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CCCH)(OC)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[3]CH)(CCCH)(OC)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	H(CCCO)	108.4570	0.000	1	108.4570	0.000	1	106.3965	8.491	2	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CHHO)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[3]CH)(CHHO)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(CCCO)	104.3360	0.000	1	104.3360	0.000	1	106.3965	8.491	2	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[3x6]-4:C-4:N-4:H-1:	C-4:	C(CC[3x6]HN)(CHHO)(OH)(H)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	H(CCCO)	C(CC[3x6]HN)(CHHO)(OH)(H)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	H(CCCO)	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(CC3)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	H(CCCO)	C(CC[5,6]CH)(CC3)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	H(CCCO)	110.1975	1.504	2	110.1975	2.262	2	108.0235	1.972	10	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	H(CCCO)	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	H(CCCO)	107.4800	0.724	8	107.4800	0.524	8	108.0235	1.972	10	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	108.8170	0.000	1	108.8170	0.000	1	108.2342	0.405	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]CH)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	109.1940	0.000	1	109.1940	0.000	1	108.2342	0.405	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]CH)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	108.5060	0.342	2	108.5060	0.117	2	108.2342	0.405	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCCO)	108.3713	0.391	4	108.3713	0.153	4	108.2342	0.405	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCHO)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]CH)(CCHO)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	H(CCCO)	108.5690	0.000	1	108.5690	0.000	1	108.2342	0.405	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	H(CCCO)	107.8802	0.701	9	107.8802	0.492	9	108.2342	0.405	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	H(CCCO)	108.4510	0.000	1	108.4510	0.000	1	108.2342	0.405	19	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	H(CCCO)	108.6297	1.749	3	108.6297	3.058	3	108.5137	1.304	6	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	H(CCCO)	108.1150	0.000	1	108.1150	0.000	1	108.5137	1.304	6	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CCHH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	H(CCCO)	108.8570	0.000	1	108.8570	0.000	1	108.5137	1.304	6	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	H(CCCO)	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	H(CCCO)	108.2210	0.000	1	108.2210	0.000	1	108.5137	1.304	6	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	109.0120	0.000	1	109.0120	0.000	1	108.7899	0.637	7	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	107.7220	0.000	1	107.7220	0.000	1	108.7899	0.637	7	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	H(CC[3]CO)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	H(CC[3]CO)	108.4330	0.000	1	108.4330	0.000	1	108.7899	0.637	7	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2O)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	C(C[3]C[3]2O)(CCCH)(OH)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	108.1970	0.000	1	108.1970	0.000	1	108.7899	0.637	7	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CH3)2(H)	H(CC[3]CO)	109.1360	0.000	1	109.1360	0.000	1	108.7899	0.637	7	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	H(CC[3]CO)	110.2150	0.000	1	110.2150	0.000	1	108.7899	0.637	7	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	H(CC[3]CO)	108.8140	0.000	1	108.8140	0.000	1	108.7899	0.637	7	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[3x6]-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CC[3x6]HN)(CCHH)(CH3)(H)	H(CC[3x6]CN)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CC[3x6]HN)(CCHH)(CH3)(H)	H(CC[3x6]CN)	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[4,5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	C(CC[4,5]HO)(CH3)2(H)	H(CC[4,5]CO)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	C(CC[4,5]HO)(CH3)2(H)	H(CC[4,5]CO)	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[4,6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	C(CC[4,6]HO)(CH3)2(H)	H(CC[4,6]CO)	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	C(CC[4,6]HO)(CH3)2(H)	H(CC[4,6]CO)	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(Cl)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(Cl)	H(CC[5]CO)	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CCHH)(CH3)(H)	H(CC[5]CO)	108.1700	0.099	4	108.1700	0.010	4	108.3958	0.479	13	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	108.4390	0.000	1	108.4390	0.000	1	108.3958	0.479	13	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CHHO)(CH3)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CC[5]HO)(CHHO)(CH3)(H)	H(CC[5]CO)	109.1170	0.000	1	109.1170	0.000	1	108.3958	0.479	13	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CCCH)(CH3)(H)	H(CC[5]CO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CC[5]HO)(CCCH)(CH3)(H)	H(CC[5]CO)	108.9710	0.000	1	108.9710	0.000	1	108.3958	0.479	13	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	108.7593	0.876	4	108.7593	0.767	4	108.3958	0.479	13	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	107.6130	0.000	1	107.6130	0.000	1	108.3958	0.479	13	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(CC[5]HO)(CH3)2(H)	H(CC[5]CO)	107.2890	0.000	1	107.2890	0.000	1	108.3958	0.479	13	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	109.2960	0.000	1	109.2960	0.000	1	108.4275	0.387	4	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	108.1380	0.279	3	108.1380	0.078	3	108.4275	0.387	4	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	H(CC[5]CO)	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	108.9600	0.000	1	108.9600	0.000	1	107.8582	1.557	12	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	H(CC[6]CO)	108.4890	0.000	1	108.4890	0.000	1	107.8582	1.557	12	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	H(CC[6]CO)	108.3350	0.000	1	108.3350	0.000	1	107.8582	1.557	12	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	107.6920	0.909	2	107.6920	0.827	2	107.8582	1.557	12	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CC[6]HO)(CHHO)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CC[6]HO)(CHHO)(CH3)(H)	H(CC[6]CO)	104.7380	0.000	1	104.7380	0.000	1	107.8582	1.557	12	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	108.8715	0.023	2	108.8715	0.001	2	107.8582	1.557	12	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C(CC[6]HO)(CH3)2(H)	H(CC[6]CO)	107.6623	0.906	4	107.6623	0.822	4	107.8582	1.557	12	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	108.4985	0.101	2	108.4985	0.010	2	108.1055	0.481	4	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	108.3510	0.000	1	108.3510	0.000	1	108.1055	0.481	4	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	107.0740	0.000	1	107.0740	0.000	1	108.1055	0.481	4	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	108.8390	0.000	1	108.8390	0.000	1	108.9185	0.013	2	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	H(CC[6]CO)	108.9980	0.000	1	108.9980	0.000	1	108.9185	0.013	2	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:1:	4:	P-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]OO)(CCCH)(OH)(H)	C(CHOP)(CH3)2(H)	H(CCOP)	C(PC[6a]OO)(CCCH)(OH)(H)	C(CHOP)(CH3)2(H)	H(CCOP)	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	108.1404	1.028	377	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	H(CCCO)	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	H(CCCO)	108.9520	0.000	1	108.9520	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHO)(CH3)(OH)	H(CCCO)	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHO)(CH3)(OH)	H(CCCO)	109.3060	0.000	1	109.3060	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCH)(CCCO)(OH)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	C(CCCH)(CCCO)(OH)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	107.5100	0.000	1	107.5100	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	107.5995	0.060	2	107.5995	0.004	2	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	108.9210	0.000	1	108.9210	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	108.7500	0.490	3	108.7500	0.240	3	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OC)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OC)	H(CCCO)	107.8780	0.000	1	107.8780	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	106.1040	1.246	2	106.1040	1.552	2	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	109.1420	0.000	1	109.1420	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	H(CCCO)	107.2527	1.002	3	107.2527	1.005	3	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	107.4647	1.068	3	107.4647	1.140	3	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OC)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OC)	H(CCCO)	107.6160	0.000	1	107.6160	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	107.7046	0.587	5	107.7046	0.345	5	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(CH3)(OH)	H(CCCO)	108.3690	0.006	2	108.3690	0.000	2	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CC[3]HH)(CCHO)(CH3)(OC)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CC[3]HH)(CCHO)(CH3)(OC)	H(CCCO)	106.6030	0.011	2	106.6030	0.000	2	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OC)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OC)	H(CCCO)	108.0690	0.000	1	108.0690	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	H(CCCO)	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	H(CCCO)	108.3300	0.000	1	108.3300	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	H(CCCO)	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	H(CCCO)	108.2860	0.799	2	108.2860	0.638	2	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CHHO)(OC)(H)	C(CCHO)2(CH3)(OSi)	H(CCCO)	C(CCCO)(CHHO)(OC)(H)	C(CCHO)2(CH3)(OSi)	H(CCCO)	109.1410	0.000	1	109.1410	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	C(CCCO)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	H(CCCO)	108.1850	0.311	2	108.1850	0.097	2	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	C(CC[6a]HH)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	108.4770	0.148	2	108.4770	0.022	2	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HN)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	C(CC[6a]HN)(CCCO)(OH)(H)	C(CCHO)(CH3)2(OH)	H(CCCO)	108.3460	0.000	1	108.3460	0.000	1	107.9329	0.843	39	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:Si-4:O-2:	C-4:	C(CSiCO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	H(CCCO)	C(CSiCO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	H(CCCO)	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(CCCO)	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(CCCO)	107.8018	0.843	5	107.8018	0.710	5	107.9630	0.724	6	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(CCCO)	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	H(CCCO)	108.7690	0.000	1	108.7690	0.000	1	107.9630	0.724	6	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:N-2:	C-4:	C(CC[6]CN)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	H(CCCO)	C(CC[6]CN)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	H(CCCO)	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:	C(CC[6]CO)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	H(CCCO)	C(CC[6]CO)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	H(CCCO)	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	C(CC[3]HO)(CH3)2(OC)	H(CC[3]CO)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	C(CC[3]HO)(CH3)2(OC)	H(CC[3]CO)	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	H(CC[5]CO)	109.5430	0.544	2	109.5430	0.296	2	108.8668	0.817	18	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	H(CC[5]CO)	109.1368	0.323	8	109.1368	0.104	8	108.8668	0.817	18	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CCHH)(CH3)(OH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CC[5]HO)(CCHH)(CH3)(OH)	H(CC[5]CO)	109.4033	0.253	3	109.4033	0.064	3	108.8668	0.817	18	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C(CC[5]HO)(CH3)2(OH)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C(CC[5]HO)(CH3)2(OH)	H(CC[5]CO)	107.8426	1.132	5	107.8426	1.280	5	108.8668	0.817	18	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CC[6]CO)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CC[6]CO)	108.6780	0.000	1	108.6780	0.000	1	108.5853	1.334	4	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OC)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OC)	H(CC[6]CO)	109.0360	0.000	1	109.0360	0.000	1	108.5853	1.334	4	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OH)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CC[6]HO)(CH3)2(OH)	H(CC[6]CO)	109.6630	0.000	1	109.6630	0.000	1	108.5853	1.334	4	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:2:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CC[6]CO)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CC[6]HO)(CCHH)(CH3)(OH)	H(CC[6]CO)	106.9640	0.000	1	106.9640	0.000	1	108.5853	1.334	4	108.2281	0.946	71	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:N-2:H-1:	C-4:Si-4:C-4:C-3:	C-4:	C(CSiCC)(CCHH)(NP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	H(CCCN)	C(CSiCC)(CCHH)(NP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	H(CCCN)	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(CCO)	H(CCCO)	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(CCO)	H(CCCO)	104.8320	0.000	1	104.8320	0.000	1	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(COO)	H(CCCO)	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(COO)	H(CCCO)	104.8520	0.000	1	104.8520	0.000	1	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(COO)	H(CCCO)	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(COO)	H(CCCO)	109.2630	0.000	1	109.2630	0.000	1	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	107.5475	0.025	2	107.5475	0.001	2	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	H(CCCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	H(CCCO)	107.0123	0.584	3	107.0123	0.341	3	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	108.7130	0.000	1	108.7130	0.000	1	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	H(CCCO)	107.8020	0.890	7	107.8020	0.792	7	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHN)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	C(CCHN)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	107.3950	0.000	1	107.3950	0.000	1	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	H(CCCO)	107.9147	0.464	7	107.9147	0.215	7	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)2(COO)	H(CCCO)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)2(COO)	H(CCCO)	107.3740	0.000	1	107.3740	0.000	1	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[5,6]CH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(CCH)	H(CCCO)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(CCH)	H(CCCO)	107.5375	2.990	2	107.5375	8.942	2	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)(CCH)	H(CCCO)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)(CCH)	H(CCCO)	107.3907	1.053	6	107.3907	1.109	6	107.5151	1.331	33	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCHH)(OH)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	H(CCCO)	C(CCCN)(CCHH)(OH)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	H(CCCO)	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:3:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C(CC[5]HO)(CH3)2(CHO)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C(CC[5]HO)(CH3)2(CHO)	H(CC[5]CO)	107.3492	1.364	5	107.3492	1.862	5	107.3492	1.862	5	107.4885	1.326	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	108.3073	0.392	6	108.3073	0.154	6	107.7754	0.656	12	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(NP)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CH3)(NP)(H)	C(CCHN)(CH3)3	H(CCCN)	107.0970	0.000	1	107.0970	0.000	1	107.7754	0.656	12	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(CC3)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHO)(CC3)(NC)(H)	C(CCHN)(CH3)3	H(CCCN)	107.2728	0.870	5	107.2728	0.757	5	107.7754	0.656	12	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	C(CC3)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	109.9440	0.000	1	109.9440	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CCCH)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	107.4800	0.328	2	107.4800	0.108	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	106.6750	0.000	1	106.6750	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	109.6213	1.105	7	109.6213	1.221	7	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	H(CCCO)	106.0155	0.122	2	106.0155	0.015	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CCCO)	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHH)(CCHO)(CH3)	H(CCCO)	108.6120	0.000	1	108.6120	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	108.3442	0.237	5	108.3442	0.056	5	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CH3)3	H(CCCO)	108.3980	0.000	1	108.3980	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(CH3)2	H(CCCO)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(CH3)2	H(CCCO)	103.7685	2.610	2	103.7685	6.812	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	C(CCHO)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	106.0980	0.000	1	106.0980	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	H(CCCO)	C(CCHO)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	H(CCCO)	105.7490	1.571	2	105.7490	2.469	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(CH3)2	H(CCCO)	108.2200	0.000	1	108.2200	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	107.7090	0.555	3	107.7090	0.308	3	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)2(CCHO)(CH3)	H(CCCO)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CCHH)2(CCHO)(CH3)	H(CCCO)	106.5505	1.218	2	106.5505	1.484	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]CH)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CC[6a]CH)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	107.8730	0.000	1	107.8730	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]CH)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CC[6a]CH)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	105.9920	1.065	2	105.9920	1.134	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HN)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CC[6a]HN)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	106.6270	0.291	2	106.6270	0.085	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CHHN)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	107.2000	1.690	2	107.2000	2.856	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHP)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CHHP)(CC3)(OH)(H)	C(CCHO)(CH3)3	H(CCCO)	108.2830	0.242	2	108.2830	0.058	2	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHS)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CHHS)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	109.0428	0.358	6	109.0428	0.128	6	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5]2H)(CC3)(OZn)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5]2H)(CC3)(OZn)(H)	C(CCHO)(CH3)3	H(CCCO)	105.1300	0.000	1	105.1300	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5]HH)(CC3)(OB)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5]HH)(CC3)(OB)(H)	C(CCHO)(CH3)3	H(CCCO)	107.1680	0.000	1	107.1680	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5a]HO)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5a]HO)(CC3)(OC)(H)	C(CCHO)(CH3)3	H(CCCO)	107.3440	0.000	1	107.3440	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(CCHO)(CH3)3	H(CCCO)	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(CCHO)(CH3)3	H(CCCO)	106.2200	0.000	1	106.2200	0.000	1	107.6693	2.821	50	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CHHN)(NCHH)	H(CCCO)	C(CCCN)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CHHN)(NCHH)	H(CCCO)	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(CCCH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	C(CC[4]CC)(CCCH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	106.2920	4.562	2	106.2920	20.814	2	106.7092	11.306	5	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(CCCH)(OH)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	C(CC[4]CC)(CCCH)(OH)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	103.3740	0.000	1	103.3740	0.000	1	106.7092	11.306	5	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(CCHH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	C(CC[4]CC)(CCHH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	107.3370	0.000	1	107.3370	0.000	1	106.7092	11.306	5	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:	C(CC[4]CC)(CH3)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	C(CC[4]CC)(CH3)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	H(CCCO)	110.2510	0.000	1	110.2510	0.000	1	106.7092	11.306	5	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	H(CCCO)	C(CC[5]CC)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	H(CCCO)	106.5800	0.116	4	106.5800	0.013	4	106.5800	0.013	4	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CCCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	H(CCCO)	C(CC[6]CC)(CCCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	H(CCCO)	107.1845	0.115	2	107.1845	0.013	2	107.6762	0.396	4	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:	C(CC[6]CC)(CCHH)(OSi)(H)	C(C[6]S[6]2C)(CCHO)(CH3)2	H(CCCO)	C(CC[6]CC)(CCHH)(OSi)(H)	C(C[6]S[6]2C)(CCHO)(CH3)2	H(CCCO)	108.1680	0.457	2	108.1680	0.209	2	107.6762	0.396	4	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2H)(CC3)(OSi)(H)	C(CC[5]HO)(CH3)3	H(CC[5]CO)	C(C[5]C[5]2H)(CC3)(OSi)(H)	C(CC[5]HO)(CH3)3	H(CC[5]CO)	108.4270	0.000	1	108.4270	0.000	1	107.6350	0.529	3	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	H(CC[5]CO)	107.2390	0.344	2	107.2390	0.118	2	107.6350	0.529	3	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C[6,6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C(CC[6,6]HO)(CH3)3	H(CC[6,6]CO)	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C(CC[6,6]HO)(CH3)3	H(CC[6,6]CO)	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2H)(CC3)(OH)(H)	C(CC[6]HO)(CH3)3	H(CC[6]CO)	C(C[6]C[6]2H)(CC3)(OH)(H)	C(CC[6]HO)(CH3)3	H(CC[6]CO)	107.7490	0.393	3	107.7490	0.155	3	108.0484	0.245	5	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[6]C[6]2H)(CC3)(OSi)(H)	C(CC[6]HO)(CH3)3	H(CC[6]CO)	C(C[6]C[6]2H)(CC3)(OSi)(H)	C(CC[6]HO)(CH3)3	H(CC[6]CO)	108.4975	0.001	2	108.4975	0.000	2	108.0484	0.245	5	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	Ge-4:C-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(GeC[6a]2O)(CC3)(CW)(H)	C(CGeCH)(CH3)3	H(CGeCC)	C(GeC[6a]2O)(CC3)(CW)(H)	C(CGeCH)(CH3)3	H(CGeCC)	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	Si-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SiSi2N)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	H(CSiCO)	C(SiSi2N)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	H(CSiCO)	106.8450	0.000	1	106.8450	0.000	1	106.4755	0.273	2	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:2:1:	4:4:4:4:	4:	Si-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SiSi2O)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	H(CSiCO)	C(SiSi2O)(CC3)(OSi)(H)	C(CSiHO)(CH3)3	H(CSiCO)	106.1060	0.000	1	106.1060	0.000	1	106.4755	0.273	2	107.6006	2.511	88	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:C-3:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHS)(COO)(H)	C(SC[6a])(CCCH)(H)2	H(CC3)	C(CCHN)(CHHS)(COO)(H)	C(SC[6a])(CCCH)(H)2	H(CC3)	109.3700	0.000	1	109.3700	0.000	1	108.3073	1.182	3	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:C-3:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)(CNO)(H)	C(SC[6a])(CCCH)(H)2	H(CC3)	C(CHHS)(CH3)(CNO)(H)	C(SC[6a])(CCCH)(H)2	H(CC3)	107.7760	0.819	2	107.7760	0.670	2	108.3073	1.182	3	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCC)(H)	C(OC[3])(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCC)(H)	C(OC[3])(CCHN)(H)2	H(CCCN)	106.9505	0.040	2	106.9505	0.002	2	107.3495	1.948	11	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	107.9630	0.000	1	107.9630	0.000	1	107.3495	1.948	11	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CF3)(NCC)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	C(CHHO)(CF3)(NCC)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	105.8715	0.192	4	105.8715	0.037	4	107.3495	1.948	11	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	108.8735	0.465	4	108.8735	0.216	4	107.3495	1.948	11	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHS)(NCH)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	108.7360	0.000	1	108.7360	0.000	1	108.0475	0.948	2	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHS)(NHS)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHS)(NHS)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	107.3590	0.000	1	107.3590	0.000	1	108.0475	0.948	2	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:1:1:	4:	C-4:N-4:C-3:H-1:	S-2:C-4:H-1:H-1:	C-4:	C(CHHS)(NH3)(COO)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	C(CHHS)(NH3)(COO)(H)	C(SC[6a])(CCHN)(H)2	H(CCCN)	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	107.7062	1.724	17	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:3:1:	4:	C-4:C-4:N-3:H-1:	S-2:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHS)(NCH)(H)	C(SN[5])(CCHN)(CCH)(H)	H(CCCN)	C(CCCH)(CCHS)(NCH)(H)	C(SN[5])(CCHN)(CCH)(H)	H(CCCN)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:1:	4:	C-4:C-4:C-3:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(OC[6])(CCCH)(CCCO)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(OC[6])(CCCH)(CCCO)(H)	H(CC3)	109.2620	0.000	1	109.2620	0.000	1	108.7512	0.422	4	108.0184	1.075	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:1:	4:	C-4:C-4:C-3:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(OC[6])(CCCH)2(H)	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(OC[6])(CCCH)2(H)	H(CC3)	108.5810	0.678	3	108.5810	0.460	3	108.7512	0.422	4	108.0184	1.075	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:1:	4:	C-4:C-4:C-3:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CCHS)(CNO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	H(CC3)	C(CCHO)(CCHS)(CNO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	H(CC3)	107.6270	0.000	1	107.6270	0.000	1	107.8490	0.099	2	108.0184	1.075	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:1:	4:	C-4:C-4:C-3:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(CH3)(CCO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	H(CC3)	C(CCHS)(CH3)(CCO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	H(CC3)	108.0710	0.000	1	108.0710	0.000	1	107.8490	0.099	2	108.0184	1.075	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:1:	4:	C-4:C-4:N-3:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHS)(NHS)(H)	C(SC[6a])(CCHH)(CCHN)(H)	H(CCCN)	C(CCHH)(CCHS)(NHS)(H)	C(SC[6a])(CCHH)(CCHN)(H)	H(CCCN)	107.2670	0.000	1	107.2670	0.000	1	106.7220	0.594	2	108.0184	1.075	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:1:	4:	C-4:C-4:N-3:H-1:	S-2:C-4:C-4:H-1:	C-4:	C(CCHS)(CF3)(NCH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	H(CCCN)	C(CCHS)(CF3)(NCH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	H(CCCN)	106.1770	0.000	1	106.1770	0.000	1	106.7220	0.594	2	108.0184	1.075	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:2:	4:	C-4:C-4:N-3:H-1:	O-2:C-4:C-4:C-2:	C-4:	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	H(CCCN)	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	H(CCCN)	107.7022	0.220	4	107.7022	0.048	4	107.7022	0.048	4	107.7022	0.048	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	2:4:4:4:	4:	C-4:C-4:N-3:H-1:	O-2:C-4:C-4:C-4:	C-4:	C(CCCO)(CH3)(NHS)(H)	C(OC[6a])(CCHN)(CH3)2	H(CCCN)	C(CCCO)(CH3)(NHS)(H)	C(OC[6a])(CCHN)(CH3)2	H(CCCN)	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:2:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	108.1620	0.000	1	108.1620	0.000	1	109.1040	1.775	2	107.5685	1.505	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:2:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HS)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	C(CC[6a]HS)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	H(CC3)	110.0460	0.000	1	110.0460	0.000	1	109.1040	1.775	2	107.5685	1.505	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:2:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	H(CCCN)	106.9797	0.737	3	106.9797	0.543	3	107.0202	1.159	6	107.5685	1.505	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:2:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	H(CCCN)	108.8310	0.000	1	108.8310	0.000	1	107.0202	1.159	6	107.5685	1.505	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:2:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(CH3)(NSS)(H)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NSS)(H)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	H(CCCN)	106.1755	0.011	2	106.1755	0.000	2	107.0202	1.159	6	107.5685	1.505	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:2:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	H(CCCN)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	H(CCCN)	107.6417	0.687	3	107.6417	0.472	3	107.6417	0.472	3	107.5685	1.505	11	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-3:C-4:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CC[6a]O)2(CCCH)(H)	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CC[6a]O)2(CCCH)(H)	H(CC3)	107.0930	0.000	1	107.0930	0.000	1	107.0930	0.000	1	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:	C(CC[6a]B[5]H)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	H(CC3)	C(CC[6a]B[5]H)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	H(CC3)	108.1315	0.431	2	108.1315	0.185	2	108.1315	0.185	2	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	H(CC3)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	H(CC3)	107.8460	0.000	1	107.8460	0.000	1	107.8460	0.000	1	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	108.2673	0.270	3	108.2673	0.073	3	108.7862	1.494	5	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	109.5645	1.952	2	109.5645	3.812	2	108.7862	1.494	5	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	C(CC[6a]HN)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	H(CC3)	108.6400	0.000	1	108.6400	0.000	1	109.0237	0.118	3	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	H(CC3)	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	H(CC3)	109.2155	0.124	2	109.2155	0.015	2	109.0237	0.118	3	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	109.2683	0.198	3	109.2683	0.039	3	109.2683	0.039	3	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	H(CCCN)	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	H(CCCN)	108.4785	0.944	2	108.4785	0.891	2	108.4785	0.891	2	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	C(CC[6a]2H)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	108.7120	0.000	1	108.7120	0.000	1	108.7120	0.000	1	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	H(CCCN)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	H(CCCN)	108.1130	0.076	2	108.1130	0.006	2	108.5590	0.600	3	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	H(CCCN)	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	H(CCCN)	109.4510	0.000	1	109.4510	0.000	1	108.5590	0.600	3	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	H(CCCN)	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	H(CCCN)	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	107.3370	0.000	1	107.3370	0.000	1	108.6098	0.739	4	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:C-4:N-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	109.0340	0.170	3	109.0340	0.029	3	108.6098	0.739	4	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(NH3)(CNO)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	C(CC[6a]2H)(NH3)(CNO)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	H(CCCN)	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	108.6125	0.741	28	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	C(CC[6a]2O)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	108.3117	0.770	3	108.3117	0.593	3	106.9192	7.710	9	106.9192	7.710	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	105.2507	3.663	4	105.2507	13.420	4	106.9192	7.710	9	106.9192	7.710	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	H(CCCN)	108.1675	0.412	2	108.1675	0.170	2	106.9192	7.710	9	106.9192	7.710	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:3:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:C-4:C-3:	C-4:	C(CC[6a]CC)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCCH)(COO)	H(CC3)	C(CC[6a]CC)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCCH)(COO)	H(CC3)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	106.5677	4.816	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:3:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[6a]2N)(CHHP)(COO)(H)	C(C[6a]C[6a]2)2(CCCH)(NHH)	H(CC3)	C(CC[6a]2N)(CHHP)(COO)(H)	C(C[6a]C[6a]2)2(CCCH)(NHH)	H(CC3)	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	106.5677	4.816	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:3:4:3:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:N-3:C-4:C-3:	C-4:	C(CC[6a]CN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	H(CC3)	C(CC[6a]CN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	H(CC3)	104.1290	0.000	1	104.1290	0.000	1	104.1290	0.000	1	106.5677	4.816	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:B-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(BC[5]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	H(CBCC)	C(CC[5a]HH)(BC[5]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CBCH)(H)2	H(CBCC)	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:B-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(BC[5]HH)(COO)(H)	C(C[6a]C[6a]2)(CBCH)(H)2	H(CBCC)	C(CC[6a]HH)(BC[5]HH)(COO)(H)	C(C[6a]C[6a]2)(CBCH)(H)2	H(CBCC)	109.3175	0.155	2	109.3175	0.024	2	109.3175	0.024	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:	C(CB[5]HH)(CCCH)(CHO)(H)	C(B[5]O[5]2)(CCCH)(H)2	H(CC3)	C(CB[5]HH)(CCCH)(CHO)(H)	C(B[5]O[5]2)(CCCH)(H)2	H(CC3)	107.0620	0.000	1	107.0620	0.000	1	107.0620	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCCH)(CCHH)(CCO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	106.5450	0.000	1	106.5450	0.000	1	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	108.7860	0.000	1	108.7860	0.000	1	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	108.3400	0.166	4	108.3400	0.027	4	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	109.1040	0.000	1	109.1040	0.000	1	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	107.7525	0.523	2	107.7525	0.273	2	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCO)(H)	C(CC[6]C)(CCCH)(H)2	H(CC3)	C(CCHH)2(CCO)(H)	C(CC[6]C)(CCCH)(H)2	H(CC3)	106.0254	0.399	5	106.0254	0.159	5	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	109.1790	0.000	1	109.1790	0.000	1	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(COO)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(COO)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	108.6130	0.000	1	108.6130	0.000	1	107.5762	1.595	16	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5,6]-3:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	H(CC3)	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	H(CC3)	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	107.6010	0.298	2	107.6010	0.089	2	107.6010	0.089	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	107.3168	0.339	5	107.3168	0.115	5	108.4000	1.687	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	110.2980	0.000	1	110.2980	0.000	1	108.4000	1.687	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	H(CC3)	109.6157	0.634	3	109.6157	0.402	3	108.4000	1.687	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC3)	108.2710	0.000	1	108.2710	0.000	1	108.4000	1.687	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[5,6]C[6])(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[5,6]C[6])(CCCH)(H)2	H(CC3)	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	H(CC3)	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	H(CC3)	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.1073	0.435	3	108.1073	0.190	3	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.4117	1.156	3	108.4117	1.336	3	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	106.8830	0.069	2	106.8830	0.005	2	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.7290	0.000	1	107.7290	0.000	1	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.3300	0.000	1	107.3300	0.000	1	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.9100	0.976	2	107.9100	0.952	2	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	106.8780	0.000	1	106.8780	0.000	1	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.0080	0.000	1	107.0080	0.000	1	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.6940	0.000	1	108.6940	0.000	1	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.0115	0.409	2	108.0115	0.168	2	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.0800	0.000	1	107.0800	0.000	1	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.4410	0.358	2	108.4410	0.128	2	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	H(CC3)	107.5550	0.000	1	107.5550	0.000	1	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.6780	0.257	2	109.6780	0.066	2	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.6055	0.107	2	108.6055	0.011	2	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CN[5]CH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.3390	0.082	2	109.3390	0.007	2	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)2(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	106.8888	0.062	4	106.8888	0.004	4	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.7502	0.550	6	108.7502	0.303	6	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)2(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.4565	1.381	6	108.4565	1.907	6	108.1480	0.994	43	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(CCH)(H)	C(NC[6a]S)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)(CCH)(H)	C(NC[6a]S)(CCCH)(H)2	H(CC3)	107.2575	1.677	2	107.2575	2.811	2	107.1702	1.314	5	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(CNO)(H)	C(NC[6a]S)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)(CNO)(H)	C(NC[6a]S)(CCCH)(H)2	H(CC3)	108.3810	0.000	1	108.3810	0.000	1	107.1702	1.314	5	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(COO)(H)	C(NC[6a]S)(CCCH)(H)2	H(CC3)	C(CHHN)2(COO)(H)	C(NC[6a]S)(CCCH)(H)2	H(CC3)	106.4775	0.069	2	106.4775	0.005	2	107.1702	1.314	5	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	108.0707	0.418	7	108.0707	0.175	7	108.1018	0.293	12	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	108.2460	0.406	2	108.2460	0.165	2	108.1018	0.293	12	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCCH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CCCH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	108.3590	0.000	1	108.3590	0.000	1	108.1018	0.293	12	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	107.9380	1.358	2	107.9380	1.843	2	108.1018	0.293	12	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC3)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC3)	109.0040	0.079	2	109.0040	0.006	2	109.2583	0.089	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	H(CC3)	109.4730	0.000	1	109.4730	0.000	1	109.2583	0.089	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]N[5a]2)(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]N[5a]2)(CCCH)(H)2	H(CC3)	109.5520	0.000	1	109.5520	0.000	1	109.2583	0.089	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:C-3:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHP)(COO)(H)	C(PC[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HO)(CHHP)(COO)(H)	C(PC[6a]2)(CCCH)(H)2	H(CC3)	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:Br-1:Br-1:	C-4:	C(CBr2C)(CBrCH)(NHS)(H)	C(CC[6a]O)(CCHN)(Br)2	H(CCCN)	C(CBr2C)(CBrCH)(NHS)(H)	C(CC[6a]O)(CCHN)(Br)2	H(CCCN)	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:F-1:F-1:	C-4:	C(CCFF)(CF3)(NHS)(H)	C(CC[5a]O)(CCHN)(F)2	H(CCCN)	C(CCFF)(CF3)(NHS)(H)	C(CC[5a]O)(CCHN)(F)2	H(CCCN)	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(NCO)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(CF3)(NCO)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	108.0160	0.000	1	108.0160	0.000	1	107.9596	0.115	7	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(CF3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	107.9680	0.130	2	107.9680	0.017	2	107.9596	0.115	7	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	108.1270	0.000	1	108.1270	0.000	1	107.9596	0.115	7	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCH)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCH)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	107.2830	0.000	1	107.2830	0.000	1	107.9596	0.115	7	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCH)(H)	C(CC[5,6]O)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCH)(H)	C(CC[5,6]O)(CCHN)(H)2	H(CCCN)	108.1775	0.293	2	108.1775	0.086	2	107.9596	0.115	7	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	107.8030	0.242	2	107.8030	0.058	2	108.5864	1.784	11	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC3)(NOO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CC3)(NOO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	108.1650	0.000	1	108.1650	0.000	1	108.5864	1.784	11	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[5a]N[5a]2)(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[5a]N[5a]2)(CCHN)(H)2	H(CCCN)	108.9790	0.000	1	108.9790	0.000	1	108.5864	1.784	11	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	H(CCCN)	109.9510	0.000	1	109.9510	0.000	1	108.5864	1.784	11	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(NCN)(H)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CH3)(NCN)(H)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	H(CCCN)	106.0220	0.000	1	106.0220	0.000	1	108.5864	1.784	11	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(NNiC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CHHN)(NNiC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	109.7133	1.377	3	109.7133	1.897	3	108.5864	1.784	11	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	108.2935	0.084	2	108.2935	0.007	2	108.5864	1.784	11	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(CCFH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	H(CCCN)	C(CC[6a]FH)(CCFH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	H(CCCN)	108.9995	0.163	2	108.9995	0.027	2	108.8865	0.030	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(CFHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	H(CCCN)	C(CC[6a]FH)(CFHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	H(CCCN)	108.7735	0.104	2	108.7735	0.011	2	108.8865	0.030	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.9440	0.000	1	108.9440	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.1550	0.366	2	108.1550	0.134	2	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.0815	0.088	2	106.0815	0.008	2	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.3625	0.459	2	107.3625	0.211	2	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.7580	0.000	1	106.7580	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.9680	0.000	1	106.9680	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCCN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.3360	0.000	1	107.3360	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCCO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.3000	0.000	1	109.3000	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.1529	0.568	22	108.1529	0.322	22	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.3960	0.000	1	108.3960	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.1830	0.000	1	108.1830	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.4027	0.767	3	107.4027	0.589	3	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHN)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHN)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.0960	0.000	1	108.0960	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.2662	1.054	4	106.2662	1.110	4	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.1953	0.509	16	108.1953	0.259	16	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.2605	0.581	2	107.2605	0.337	2	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.6440	1.245	3	109.6440	1.549	3	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	105.4580	0.000	1	105.4580	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.5190	0.000	1	108.5190	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.0220	0.503	2	108.0220	0.253	2	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.4660	0.000	1	109.4660	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CClHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CClHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.0090	0.077	3	109.0090	0.006	3	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CH3)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	104.6730	0.000	1	104.6730	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.3315	0.422	2	108.3315	0.178	2	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.2532	0.714	17	108.2532	0.510	17	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(NOO)(H)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHN)(NOO)(H)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	H(CCCN)	108.6850	0.000	1	108.6850	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.1300	0.604	29	107.1300	0.365	29	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.5009	0.432	10	108.5009	0.187	10	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.3700	0.000	1	108.3700	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NIrC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NIrC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	110.0020	0.000	1	110.0020	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.8440	0.000	1	106.8440	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.5020	0.385	2	108.5020	0.148	2	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHS)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHS)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.4710	0.000	1	107.4710	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHOP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHOP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.1350	0.000	1	106.1350	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CPdOO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CPdOO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.5060	0.000	1	107.5060	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.5050	0.000	1	109.5050	0.000	1	107.8713	0.973	141	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCC)(H)	C(NC[3]C)(CCHN)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCC)(H)	C(NC[3]C)(CCHN)(H)2	H(CCCN)	107.2770	0.000	1	107.2770	0.000	1	109.0625	3.981	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NHS)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHN)(NHS)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	110.1185	2.534	2	110.1185	6.419	2	109.0625	3.981	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(NOO)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHN)(NOO)(H)	C(NC[6a]C)(CCHN)(H)2	H(CCCN)	108.7360	0.000	1	108.7360	0.000	1	109.0625	3.981	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCCH)(NHS)(H)	C(N[6]C[6]2)(CCHN)(H)2	H(CCCN)	C(CN[6]HH)(CCCH)(NHS)(H)	C(N[6]C[6]2)(CCHN)(H)2	H(CCCN)	107.3230	0.000	1	107.3230	0.000	1	107.3230	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:O-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(OCu2)(H)	C(C[5]N[5]2)(CCHO)(H)2	H(CCCO)	C(CC[5]HH)2(OCu2)(H)	C(C[5]N[5]2)(CCHO)(H)2	H(CCCO)	108.9620	0.041	2	108.9620	0.002	2	108.9620	0.002	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(ONi2)(H)	C(NC[5]Ni)(CCHO)(H)2	H(CCCO)	C(CHHN)2(ONi2)(H)	C(NC[5]Ni)(CCHO)(H)2	H(CCCO)	108.7495	0.798	2	108.7495	0.637	2	108.7495	0.637	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:O-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(OCu2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	C(CN[5]HH)2(OCu2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	109.2575	0.042	2	109.2575	0.002	2	108.4172	0.943	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:O-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)2(OZn2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	C(CN[5]HH)2(OZn2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	H(CCCO)	107.5770	0.062	2	107.5770	0.004	2	108.4172	0.943	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:C-4:S-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCCH)(SRhC)(H)	C(N[5]C[5]2)(CCHS)(H)2	H(CCCS)	C(CN[5]HH)(CCCH)(SRhC)(H)	C(N[5]C[5]2)(CCHS)(H)2	H(CCCS)	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CC[6a]O)(CCHN)(H)2	H(CCCN)	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NCoHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NCoHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	107.8340	0.000	1	107.8340	0.000	1	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NFeCH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NFeCH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	107.9577	0.451	3	107.9577	0.203	3	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	108.8900	1.531	37	108.8900	2.344	37	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NMoHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NMoHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	109.4057	0.382	3	109.4057	0.146	3	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NNiCH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NNiCH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	108.3760	0.000	1	108.3760	0.000	1	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NNiHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NNiHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	108.6510	0.000	1	108.6510	0.000	1	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NReHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NReHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	110.2440	1.105	2	110.2440	1.220	2	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NRuHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NRuHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	109.4990	0.000	1	109.4990	0.000	1	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NTcHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NTcHH)(COO)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	109.3410	0.000	1	109.3410	0.000	1	108.9042	1.947	50	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	108.5990	0.000	1	108.5990	0.000	1	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCoHH)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NCoHH)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	106.7200	0.000	1	106.7200	0.000	1	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCuCH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NCuCH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	108.4450	0.000	1	108.4450	0.000	1	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NCuHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NCuHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	109.2060	0.000	1	109.2060	0.000	1	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NH3)(CNO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	111.8295	6.622	4	111.8295	43.855	4	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	108.4291	0.827	32	108.4291	0.684	32	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NH3)(COO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	109.0007	0.235	3	109.0007	0.055	3	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(NPdHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(NPdHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	H(CCCN)	108.0890	0.000	1	108.0890	0.000	1	108.7525	4.632	44	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NCuHH)(COO)(H)	C(C[6]C[6]2)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(NCuHH)(COO)(H)	C(C[6]C[6]2)(CCHN)(H)2	H(CCCN)	109.3370	1.024	2	109.3370	1.048	2	108.9187	1.049	3	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NH3)(COO)(H)	C(C[6]C[6]N[6])(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(NH3)(COO)(H)	C(C[6]C[6]N[6])(CCHN)(H)2	H(CCCN)	108.0820	0.000	1	108.0820	0.000	1	108.9187	1.049	3	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCCH)(CClO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCCH)(CClO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.6980	0.000	1	107.6980	0.000	1	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.1395	0.835	4	109.1395	0.696	4	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCoHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCoHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.3517	0.481	7	107.3517	0.231	7	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuCH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCuCH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.0807	0.940	3	107.0807	0.884	3	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuCH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCuCH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.5620	1.791	4	107.5620	3.208	4	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuHH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCuHH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.8782	0.816	6	107.8782	0.666	6	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCuHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCuHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.4537	0.719	9	107.4537	0.518	9	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.7064	0.833	16	109.7064	0.695	16	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.6861	0.936	102	108.6861	0.875	102	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiCC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NNiCC)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	105.5380	0.000	1	105.5380	0.000	1	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiCH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NNiCH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.7290	1.660	2	107.7290	2.757	2	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiHH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NNiHH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.8130	0.000	1	107.8130	0.000	1	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NNiHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NNiHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.9784	0.838	17	106.9784	0.702	17	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NOsCH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NOsCH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	106.1730	0.000	1	106.1730	0.000	1	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdCC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NPdCC)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.7600	1.872	2	107.7600	3.506	2	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NPdHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NPdHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.7220	0.000	1	108.7220	0.000	1	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NRuHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NRuHH)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	109.2070	0.000	1	109.2070	0.000	1	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NTcHH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NTcHH)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.5840	0.000	1	107.5840	0.000	1	108.3659	1.422	179	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:P-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PCOO)(NHS)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	H(CCNP)	C(CC[6a]HH)(PCOO)(NHS)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	H(CCNP)	106.8920	0.000	1	106.8920	0.000	1	106.8920	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C-4:S-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	H(CCNS)	C(CC[5a]HH)(SC[6a]OO)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CHNS)(H)2	H(CCNS)	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[3]-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CC[3]CH)(H)2	H(CC[3]CC)	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CC[3]CH)(H)2	H(CC[3]CC)	108.7030	0.000	2	108.7030	0.000	2	108.7030	0.000	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[3]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[3]HN)(H)2	H(CC[3]CN)	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)(CC[3]HN)(H)2	H(CC[3]CN)	108.4550	0.689	2	108.4550	0.474	2	108.4550	0.474	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5,6]-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	107.7692	0.296	4	107.7692	0.087	4	107.7692	0.087	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CC)	107.6540	0.000	1	107.6540	0.000	1	107.1048	0.474	5	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CC)	106.9675	0.712	4	106.9675	0.507	4	107.1048	0.474	5	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:F-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(F)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(F)2	H(CC[5]CN)	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	107.0440	0.000	1	107.0440	0.000	1	107.9311	2.278	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	108.3113	0.443	4	108.3113	0.196	4	107.9311	2.278	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	108.5400	0.000	1	108.5400	0.000	1	107.9311	2.278	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	106.0780	0.320	2	106.0780	0.102	2	107.9311	2.278	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	111.1850	0.000	1	111.1850	0.000	1	107.9311	2.278	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C(C[6a]C[6a]2)(CC[5]HN)(H)2	H(CC[5]CN)	107.1410	0.000	1	107.1410	0.000	1	107.9311	2.278	10	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	109.5120	0.000	1	109.5120	0.000	1	109.1285	0.294	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	108.7450	0.000	1	108.7450	0.000	1	109.1285	0.294	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(CC[5a]HH)(NHS)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]HN)(H)2	H(CC[6]CN)	108.5735	0.240	2	108.5735	0.057	2	108.5735	0.057	2	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6]HN)(H)2	H(CC[6]CN)	C(C[6]C[6]O[6]H)(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CC[6]HN)(H)2	H(CC[6]CN)	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	N-4:C-4:C-3:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHS)(COO)(H)	C(SCdCo)(CCHN)(H)2	H(CCCN)	C(NCoHH)(CHHS)(COO)(H)	C(SCdCo)(CCHN)(H)2	H(CCCN)	108.4547	0.179	3	108.4547	0.032	3	108.6022	0.081	5	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	N-4:C-4:C-3:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHS)(COO)(H)	C(SCoCu)(CCHN)(H)2	H(CCCN)	C(NCoHH)(CHHS)(COO)(H)	C(SCoCu)(CCHN)(H)2	H(CCCN)	108.8235	0.312	2	108.8235	0.097	2	108.6022	0.081	5	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	P-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CCHH)(CCH)(H)	C(CC[6a]O)(CCHP)(H)2	H(CCCP)	C(PC[6a]2O)(CCHH)(CCH)(H)	C(CC[6a]O)(CCHP)(H)2	H(CCCP)	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	P-4:C-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	H(CCCP)	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	H(CCCP)	108.8580	0.113	2	108.8580	0.013	2	108.5503	0.703	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	P-4:C-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	H(CCCP)	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	H(CCCP)	109.1690	0.000	1	109.1690	0.000	1	108.5503	0.703	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:1:1:	4:	P-4:C-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CC[6]HH)(COO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	H(CCCP)	C(PC[6a]2Pd)(CC[6]HH)(COO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	H(CCCP)	107.3160	0.000	1	107.3160	0.000	1	108.5503	0.703	4	108.2578	1.618	597	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:N-2:H-1:	C-4:	C(CCHN)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(NN)(H)	H(CC3)	C(CCHN)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(NN)(H)	H(CC3)	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	H(CC3)	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	H(CC3)	107.3700	0.000	1	107.3700	0.000	1	107.5672	0.029	5	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	H(CC3)	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	H(CC3)	107.6165	0.149	4	107.6165	0.022	4	107.5672	0.029	5	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	H(CC3)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	H(CC3)	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	108.4830	0.325	2	108.4830	0.106	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	106.7000	0.000	1	106.7000	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.4630	0.000	1	108.4630	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	106.4850	0.000	1	106.4850	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.6100	0.000	1	107.6100	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.0070	0.324	2	108.0070	0.105	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	107.9610	0.000	1	107.9610	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	106.5370	0.000	1	106.5370	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCF)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CCF)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.7220	0.000	1	107.7220	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	108.4070	0.000	1	108.4070	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.1910	0.139	2	108.1910	0.019	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.7772	0.817	6	107.7772	0.667	6	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	106.4890	0.000	1	106.4890	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	106.7875	2.576	2	106.7875	6.636	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CClHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CClHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.6360	0.000	1	107.6360	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CF3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CF3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.7760	0.000	1	108.7760	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCC)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CCC)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	108.4585	0.032	2	108.4585	0.001	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	108.0153	0.842	3	108.0153	0.709	3	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.9542	0.757	5	107.9542	0.573	5	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.1500	0.000	1	107.1500	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	109.4108	0.219	4	109.4108	0.048	4	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	108.3290	0.000	2	108.3290	0.000	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.9695	0.829	2	107.9695	0.688	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	108.7910	0.000	1	108.7910	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.5250	0.000	1	108.5250	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHP)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CHHP)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	109.0050	0.000	1	109.0050	0.000	1	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.2220	0.385	2	108.2220	0.148	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	109.0500	0.133	2	109.0500	0.018	2	108.0662	0.835	51	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(SC)(H)	H(CC3)	C(CC[6a]HS)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(SC)(H)	H(CC3)	109.0705	0.101	2	109.0705	0.010	2	109.0705	0.010	2	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:C-3:H-1:	N-3:C-4:C-2:H-1:	C-4:	C(CCHN)(CH3)(CCH)(H)	C(NC[6a]C)(CCCH)(CN)(H)	H(CC3)	C(CCHN)(CH3)(CCH)(H)	C(NC[6a]C)(CCCH)(CN)(H)	H(CC3)	107.9050	0.000	1	107.9050	0.000	1	107.9050	0.000	1	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(NCC)(H)	C(CC[5a]O)(CCHN)(OH)(H)	H(CCCN)	C(CCHO)(CH3)(NCC)(H)	C(CC[5a]O)(CCHN)(OH)(H)	H(CCCN)	107.1630	0.000	1	107.1630	0.000	1	107.5463	0.119	3	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[5]O)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[5]O)(CCHN)(OH)(H)	H(CCCN)	107.7380	0.133	2	107.7380	0.018	2	107.5463	0.119	3	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-2:H-1:	C-4:	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	H(CCCN)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	H(CCCN)	107.7705	0.264	2	107.7705	0.070	2	107.7705	0.070	2	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	H(CCCN)	C(CC[6a]HN)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	H(CCCN)	107.6470	0.000	1	107.6470	0.000	1	107.4885	0.050	2	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:	C(CC[6a]HN)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	H(CCCN)	C(CC[6a]HN)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	H(CCCN)	107.3300	0.000	1	107.3300	0.000	1	107.4885	0.050	2	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HO)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	106.1770	0.000	1	106.1770	0.000	1	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	H(CCCN)	C(CC[6a]HO)(CCCH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	H(CCCN)	104.6740	0.059	2	104.6740	0.004	2	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CCCH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.4280	0.349	2	107.4280	0.122	2	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	107.3600	0.821	10	107.3600	0.673	10	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.1270	1.036	9	107.1270	1.073	9	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	108.1270	0.000	1	108.1270	0.000	1	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.9946	1.246	7	107.9946	1.552	7	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	106.8430	0.187	4	106.8430	0.035	4	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	106.0383	1.977	4	106.0383	3.907	4	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	H(CCCN)	106.1470	0.000	1	106.1470	0.000	1	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.0570	0.000	1	107.0570	0.000	1	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.3410	0.000	1	108.3410	0.000	1	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	H(CCCN)	107.7747	0.230	3	107.7747	0.053	3	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.6180	0.000	1	108.6180	0.000	1	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CHHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.6000	0.000	1	107.6000	0.000	1	107.1839	1.426	48	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	H(CCCN)	C(CC[6a]HS)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	H(CCCN)	106.0500	0.000	1	106.0500	0.000	1	107.7595	5.845	2	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	H(CCCN)	C(CC[6a]HS)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	H(CCCN)	109.4690	0.000	1	109.4690	0.000	1	107.7595	5.845	2	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(NH3)(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	109.2760	0.000	1	109.2760	0.000	1	110.9587	4.070	3	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:N-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(NH3)(COO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	111.8000	1.973	2	111.8000	3.892	2	110.9587	4.070	3	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C-4:S-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SC3)(CCH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	C(CC[6a]HO)(SC3)(CCH)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	106.7725	0.323	2	106.7725	0.104	2	106.7725	0.104	2	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(OH)(H)	H(CC[5]CC)	103.2390	0.000	1	103.2390	0.000	1	103.2390	0.000	1	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	H(CC[6]CC)	C(C[6]C[6]2H)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(OC)(H)	H(CC[6]CC)	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	107.6943	1.622	125	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	H(CCCN)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	H(CCCN)	106.6280	0.259	2	106.6280	0.067	2	106.3505	0.126	4	106.3505	0.126	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	H(CCCN)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	H(CCCN)	106.1140	0.000	1	106.1140	0.000	1	106.3505	0.126	4	106.3505	0.126	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:2:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	H(CCCN)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	H(CCCN)	106.0320	0.000	1	106.0320	0.000	1	106.3505	0.126	4	106.3505	0.126	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(CCH)(H)	C(CN[5]S)(CCCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)(CCH)(H)	C(CN[5]S)(CCCH)(NCH)(H)	H(CC3)	107.2670	0.000	1	107.2670	0.000	1	107.2670	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	H(CC3)	C(CC[5a]CH)(CCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	H(CC3)	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	H(CC3)	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	H(CC3)	108.2630	0.000	1	108.2630	0.000	1	108.0482	0.943	9	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	109.1730	0.000	1	109.1730	0.000	1	108.0482	0.943	9	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	106.9785	0.455	2	106.9785	0.207	2	108.0482	0.943	9	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	108.5810	1.042	2	108.5810	1.086	2	108.0482	0.943	9	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	H(CC3)	108.2520	0.000	1	108.2520	0.000	1	108.0482	0.943	9	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	106.8300	0.000	1	106.8300	0.000	1	108.0482	0.943	9	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	108.7970	0.000	1	108.7970	0.000	1	108.0482	0.943	9	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	H(CC3)	108.1560	0.979	3	108.1560	0.959	3	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCCH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CCCH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	109.1640	0.000	1	109.1640	0.000	1	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	H(CC3)	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	H(CC3)	108.6040	0.629	2	108.6040	0.396	2	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	108.7907	0.770	3	108.7907	0.594	3	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	H(CC3)	C(CC[6a]HN)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	H(CC3)	108.8290	0.048	2	108.8290	0.002	2	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.1300	0.000	1	108.1300	0.000	1	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	105.5520	1.226	4	105.5520	1.502	4	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.7990	0.000	1	108.7990	0.000	1	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	107.1110	0.693	2	107.1110	0.480	2	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	H(CC3)	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	H(CC3)	109.7280	0.000	1	109.7280	0.000	1	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.3670	0.000	1	108.3670	0.000	1	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.0866	0.419	7	108.0866	0.176	7	107.9618	1.640	28	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)(CCO)(H)	C(NC[6a]H)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)(CCO)(H)	C(NC[6a]H)(CCCH)(COO)(H)	H(CC3)	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	C(CC[6a]HH)(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	109.5675	0.284	2	109.5675	0.080	2	108.9023	0.618	4	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	C(CN[5]CH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	108.2370	0.044	2	108.2370	0.002	2	108.9023	0.618	4	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:C-3:H-1:	S-3:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHS)(COO)(H)	C(SC[6a]O)(CCCH)(CCO)(H)	H(CC3)	C(CCHH)(CCHS)(COO)(H)	C(SC[6a]O)(CCCH)(CCO)(H)	H(CC3)	106.5130	0.000	1	106.5130	0.000	1	106.5130	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(NCH)(H)	C(CN[6]O)(CCHN)(NCH)(H)	H(CCCN)	C(CCHN)(CH3)(NCH)(H)	C(CN[6]O)(CCHN)(NCH)(H)	H(CCCN)	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[5]-3:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CH3)(NOO)(H)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	H(CCCN)	C(CC[5]CH)(CH3)(NOO)(H)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	H(CCCN)	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CH3)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	H(CCCN)	C(CC[5a]CH)(CH3)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	H(CCCN)	109.2200	0.000	1	109.2200	0.000	1	109.2200	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	H(CCCN)	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	H(CCCN)	106.2090	1.201	2	106.2090	1.442	2	106.2090	1.442	2	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCCH)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	C(CC[6a]CH)(CCCH)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	108.5400	0.000	1	108.5400	0.000	1	107.2874	1.222	7	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	H(CCCN)	107.2305	0.982	2	107.2305	0.965	2	107.2874	1.222	7	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	H(CCCN)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	H(CCCN)	108.6420	0.000	1	108.6420	0.000	1	107.2874	1.222	7	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	107.0330	0.000	1	107.0330	0.000	1	107.2874	1.222	7	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CF3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	C(CC[6a]CH)(CF3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	105.7300	0.000	1	105.7300	0.000	1	107.2874	1.222	7	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	106.6060	0.000	1	106.6060	0.000	1	107.2874	1.222	7	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	H(CCCN)	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	H(CCCN)	109.9080	0.000	1	109.9080	0.000	1	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	C(CC[6a]HN)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	106.5470	0.000	1	106.5470	0.000	1	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	H(CCCN)	C(CC[6a]HN)(CCHH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	H(CCCN)	107.3210	0.000	1	107.3210	0.000	1	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	H(CCCN)	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	H(CCCN)	109.6230	0.000	1	109.6230	0.000	1	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	107.6210	0.689	3	107.6210	0.474	3	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	H(CCCN)	108.0235	0.912	6	108.0235	0.833	6	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	H(CCCN)	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	H(CCCN)	108.9240	0.000	1	108.9240	0.000	1	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	H(CCCN)	106.9280	0.000	1	106.9280	0.000	1	108.0170	1.171	15	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CF3)(NHS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	H(CCCN)	C(CCHN)(CF3)(NHS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	H(CCCN)	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C-4:C-4:N-3:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CNO)(H)	H(CCCN)	C(CN[5]CH)(CH3)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CNO)(H)	H(CCCN)	108.4643	0.604	3	108.4643	0.364	3	108.4643	0.364	3	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:1:	4:	C[3]-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	H(CC[3]CN)	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	C(C[6a]C[6a]2)(CC[3]HN)(CC[6a]O)(H)	H(CC[3]CN)	106.3265	0.190	2	106.3265	0.036	2	106.3265	0.036	2	107.8871	1.394	78	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:3:2:	4:	C[6]-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	H(CC[6]CN)	C(C[6]C[6]O[6]H)(CC[6a]CO)(NHS)(H)	C(C[6a]C[6a]2)(CC[6]HN)(COO)(OH)	H(CC[6]CN)	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:B-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(BCC)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	H(CBCC)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	H(CBCC)	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[4]-3:C-4:C-4:H-1:	C-4:	C(CC[4]CH)(CCCO)(CCH)(H)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	H(CC3)	C(CC[4]CH)(CCCO)(CCH)(H)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	H(CC3)	107.3150	0.000	1	107.3150	0.000	1	107.3150	0.000	1	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:N-4:H-1:	C-4:	C(CC[5a]HN)(CH3)(CCH)(H)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	H(CC3)	C(CC[5a]HN)(CH3)(CCH)(H)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	H(CC3)	108.2370	0.960	2	108.2370	0.922	2	108.2370	0.922	2	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CCHH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	109.1000	0.000	1	109.1000	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)2(H)	H(CC3)	C(CC[6a]CH)(CCHH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)2(H)	H(CC3)	109.0780	0.000	1	109.0780	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	109.1990	0.000	1	109.1990	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	109.2110	0.000	1	109.2110	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]CH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	107.1280	0.000	1	107.1280	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	105.9520	0.000	1	105.9520	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	109.1200	0.000	1	109.1200	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	H(CC3)	107.5940	0.000	1	107.5940	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	H(CC3)	106.7000	0.000	1	106.7000	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	108.2950	0.000	1	108.2950	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	109.1760	0.000	1	109.1760	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	109.0705	0.916	2	109.0705	0.839	2	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	108.5650	0.266	2	108.5650	0.071	2	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	H(CC3)	C(CC[6a]CH)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	H(CC3)	109.4330	0.000	1	109.4330	0.000	1	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)(CH3)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	107.7905	2.051	2	107.7905	4.208	2	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	107.6933	0.118	3	107.6933	0.014	3	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	C(CC[6a]CH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	H(CC3)	107.6813	0.152	3	107.6813	0.023	3	108.2067	1.071	24	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(NOO)(H)	C(CC[6a]O)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CCHH)(NOO)(H)	C(CC[6a]O)(CCHN)(CH3)(H)	H(CCCN)	108.7850	0.000	1	108.7850	0.000	1	108.5033	0.232	3	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(NOO)(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	H(CCCN)	C(CCCH)(CH3)(NOO)(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	H(CCCN)	108.7780	0.000	1	108.7780	0.000	1	108.5033	0.232	3	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)2(NOO)(H)	C(CN[5]O)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)2(NOO)(H)	C(CN[5]O)(CCHN)(CH3)(H)	H(CCCN)	107.9470	0.000	1	107.9470	0.000	1	108.5033	0.232	3	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CCHH)(NOO)(H)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	H(CCCN)	C(CC[5a]CH)(CCHH)(NOO)(H)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	H(CCCN)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCCN)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	H(CCCN)	111.0340	3.418	4	111.0340	11.684	4	109.4149	5.098	12	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	H(CCCN)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	H(CCCN)	106.9920	0.000	1	106.9920	0.000	1	109.4149	5.098	12	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	108.1015	0.112	2	108.1015	0.013	2	109.4149	5.098	12	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	108.7640	0.000	1	108.7640	0.000	1	109.4149	5.098	12	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	109.2020	0.791	2	109.2020	0.625	2	109.4149	5.098	12	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	H(CCCN)	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	H(CCCN)	109.2400	0.086	2	109.2400	0.007	2	109.4149	5.098	12	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	H(CCCN)	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	H(CCCN)	106.5780	0.066	2	106.5780	0.004	2	106.5780	0.004	2	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	H(CCCN)	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	H(CCCN)	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	H(CCCN)	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	H(CCCN)	109.6843	0.385	4	109.6843	0.148	4	109.6843	0.148	4	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:C-4:N-3:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CCHH)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	H(CCCN)	C(CN[5]CH)(CCHH)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	H(CCCN)	108.1325	0.080	2	108.1325	0.006	2	108.1325	0.006	2	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:1:	4:	C-4:S-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCS)	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	H(CCCS)	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	108.5606	2.098	54	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	H(CC3)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	H(CC3)	107.6760	0.000	1	107.6760	0.000	1	107.8221	1.753	8	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	H(CC3)	C(CC[6a]CO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	H(CC3)	107.2130	0.000	1	107.2130	0.000	1	107.8221	1.753	8	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	H(CC3)	C(CC[6a]CO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	H(CC3)	106.7680	0.000	2	106.7680	0.000	2	107.8221	1.753	8	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	H(CC3)	C(CC[6a]CO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	H(CC3)	109.1010	0.288	2	109.1010	0.083	2	107.8221	1.753	8	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	H(CC3)	C(CC[6a]CO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	H(CC3)	107.9750	2.502	2	107.9750	6.259	2	107.8221	1.753	8	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	H(CCCN)	C(CC[6a]CO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	H(CCCN)	108.8295	0.121	2	108.8295	0.015	2	108.8510	0.009	3	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	H(CCCN)	C(CC[6a]CO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	H(CCCN)	108.8940	0.000	1	108.8940	0.000	1	108.8510	0.009	3	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:2:	4:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:C-4:C-2:	C-4:	C(CN[6]CC)(CHHO)(NHS)(H)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	H(CCCN)	C(CN[6]CC)(CHHO)(NHS)(H)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	H(CCCN)	107.9590	0.106	2	107.9590	0.011	2	107.9590	0.011	2	108.0806	1.221	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:3:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:	C(CC[6a]CC)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	H(CC3)	C(CC[6a]CC)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	H(CC3)	108.0290	0.317	2	108.0290	0.100	2	108.0290	0.100	2	108.0290	0.100	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:4:	4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:N-4:	C-4:	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	H(CC3)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	H(CC3)	106.4870	0.000	1	106.4870	0.000	1	106.4870	0.000	1	108.4220	3.524	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:4:	4:	C-4:C-4:C-3:H-1:	N-3:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(CCCN)(COO)(H)	C(NB[5]2)(CCCH)2(CH3)	H(CC3)	C(CC[6a]HH)(CCCN)(COO)(H)	C(NB[5]2)(CCCH)2(CH3)	H(CC3)	106.8305	0.073	2	106.8305	0.005	2	106.8305	0.005	2	108.4220	3.524	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	3:4:4:4:	4:	N-4:C-4:C-3:H-1:	S-3:C-4:C-4:C-4:	C-4:	C(NCoHH)(CCCS)(COO)(H)	C(SCoPt)(CCHN)(CH3)2	H(CCCN)	C(NCoHH)(CCCS)(COO)(H)	C(SCoPt)(CCHN)(CH3)2	H(CCCN)	110.1280	0.190	3	110.1280	0.036	3	110.1280	0.036	3	108.4220	3.524	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	B-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6a]2C)(CH3)(CHN)(H)	C(CBCH)(H)3	H(CBCC)	C(BC[6a]2C)(CH3)(CHN)(H)	C(CBCH)(H)3	H(CBCC)	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CClHH)(CCO)(H)	C(CCCH)(Cl)(H)2	H(CC3)	C(CC[6a]HO)(CClHH)(CCO)(H)	C(CCCH)(Cl)(H)2	H(CC3)	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCCH)(CF3)(CCH)(H)	C(CCCH)(F)3	H(CC3)	C(CCCH)(CF3)(CCH)(H)	C(CCCH)(F)3	H(CC3)	103.8280	0.000	1	103.8280	0.000	1	107.5720	3.006	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(CCH)(H)	C(CCCH)(F)3	H(CC3)	C(CCHH)(CF3)(CCH)(H)	C(CCCH)(F)3	H(CC3)	106.9620	0.000	1	106.9620	0.000	1	107.5720	3.006	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(COO)(H)	C(CCCH)(F)3	H(CC3)	C(CCHH)(CF3)(COO)(H)	C(CCCH)(F)3	H(CC3)	108.1780	0.000	1	108.1780	0.000	1	107.5720	3.006	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[5]HO)(CF3)(CCH)(H)	C(CCCH)(F)3	H(CC3)	C(CC[5]HO)(CF3)(CCH)(H)	C(CCCH)(F)3	H(CC3)	106.7190	0.000	1	106.7190	0.000	1	107.5720	3.006	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]HO)(CF3)(CCO)(H)	C(CCCH)(F)3	H(CC3)	C(CC[6a]HO)(CF3)(CCO)(H)	C(CCCH)(F)3	H(CC3)	109.1080	0.000	1	109.1080	0.000	1	107.5720	3.006	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CHHN)(CF3)(CNO)(H)	C(CCCH)(F)3	H(CC3)	C(CHHN)(CF3)(CNO)(H)	C(CCCH)(F)3	H(CC3)	108.5937	0.185	3	108.5937	0.034	3	107.5720	3.006	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAlHH)(CH3)(CHH)(H)	C(CCCH)(H)3	H(CC3)	C(CAlHH)(CH3)(CHH)(H)	C(CCCH)(H)3	H(CC3)	105.6670	0.000	1	105.6670	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	102.9795	0.312	2	102.9795	0.097	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.0093	2.027	31	108.0093	4.110	31	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	106.7640	0.000	1	106.7640	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	105.8760	0.000	1	105.8760	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	107.3945	0.397	2	107.3945	0.157	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(H)3	H(CC3)	115.4360	0.000	1	115.4360	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	109.6355	0.327	2	109.6355	0.107	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.0113	0.293	3	108.0113	0.086	3	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.0033	0.242	3	108.0033	0.059	3	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	107.7794	0.971	5	107.7794	0.943	5	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	107.4445	0.304	4	107.4445	0.092	4	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.3503	0.744	27	108.3503	0.554	27	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCI)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CCI)(H)	C(CCCH)(H)3	H(CC3)	106.8425	0.301	4	106.8425	0.090	4	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	108.0141	1.046	27	108.0141	1.095	27	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(H)3	H(CC3)	106.3771	0.372	7	106.3771	0.139	7	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CHO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CHO)(H)	C(CCCH)(H)3	H(CC3)	106.9100	0.000	1	106.9100	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.6243	1.673	10	108.6243	2.798	10	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNS)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CNS)(H)	C(CCCH)(H)3	H(CC3)	110.7730	0.000	1	110.7730	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	108.3611	0.901	40	108.3611	0.812	40	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(CSS)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)(CSS)(H)	C(CCCH)(H)3	H(CC3)	107.6590	0.000	1	107.6590	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CCHN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	106.3400	2.192	3	106.3400	4.804	3	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	108.3887	1.096	3	108.3887	1.202	3	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	109.3280	0.000	1	109.3280	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHN)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	106.8805	0.971	4	106.8805	0.943	4	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	107.6604	1.113	7	107.6604	1.238	7	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.1958	1.047	43	108.1958	1.096	43	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	108.6261	1.171	32	108.6261	1.371	32	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)(CCS)(H)	C(CCCH)(H)3	H(CC3)	105.9643	0.508	9	105.9643	0.258	9	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	109.3310	0.362	2	109.3310	0.131	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	108.1857	0.632	11	108.1857	0.400	11	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHS)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CCHS)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	108.0280	0.000	1	108.0280	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3x6]HH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3x6]HH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	107.9140	0.000	1	107.9140	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,6,6]HH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	107.8960	0.000	1	107.8960	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]CH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	106.6445	0.078	2	106.6445	0.006	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HH)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	107.1515	0.544	4	107.1515	0.296	4	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.1570	0.175	2	108.1570	0.031	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	107.0100	0.000	1	107.0100	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	107.6059	0.912	8	107.6059	0.832	8	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.5300	0.000	1	108.5300	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]HN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.1450	0.983	2	108.1450	0.966	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]CH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]CH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	105.6110	0.000	1	105.6110	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	105.6352	1.787	6	105.6352	3.194	6	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]B[5]H)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]B[5]H)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	108.0890	0.383	2	108.0890	0.147	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CC)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CC)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	107.2010	0.000	1	107.2010	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.2230	0.000	1	108.2230	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	107.6825	1.236	4	107.6825	1.527	4	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(CHO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CH3)(CHO)(H)	C(CCCH)(H)3	H(CC3)	109.0695	0.851	2	109.0695	0.724	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.6853	0.131	3	108.6853	0.017	3	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	109.3920	0.000	1	109.3920	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(COS)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CH3)(COS)(H)	C(CCCH)(H)3	H(CC3)	110.1260	1.288	2	110.1260	1.660	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	109.5880	0.000	1	109.5880	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	106.8950	0.000	1	106.8950	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(CHN)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CO)(CH3)(CHN)(H)	C(CCCH)(H)3	H(CC3)	106.7520	0.000	2	106.7520	0.000	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	109.1335	0.292	2	109.1335	0.085	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CO)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	105.5100	4.187	2	105.5100	17.535	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]C[6]H)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	104.8930	0.000	1	104.8930	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	107.1350	0.000	1	107.1350	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.4695	0.305	2	108.4695	0.093	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	107.5700	0.000	1	107.5700	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	109.0995	1.713	6	109.0995	2.935	6	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	107.4290	0.000	1	107.4290	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.0850	1.704	3	108.0850	2.902	3	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	108.4240	0.000	1	108.4240	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	108.4540	0.045	2	108.4540	0.002	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	107.7521	0.722	8	107.7521	0.521	8	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)(CCN)(H)	C(CCCH)(H)3	H(CC3)	107.1400	0.000	1	107.1400	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	109.3672	0.218	4	109.3672	0.047	4	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(CHN)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)(CHN)(H)	C(CCCH)(H)3	H(CC3)	108.2900	0.000	2	108.2900	0.000	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.1940	0.792	3	108.1940	0.627	3	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	108.4460	0.000	1	108.4460	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HS)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HS)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	109.0745	0.094	2	109.0745	0.009	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CCC)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CCC)(H)	C(CCCH)(H)3	H(CC3)	107.0184	1.048	69	107.0184	1.098	69	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.0558	1.160	26	108.0558	1.345	26	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CCI)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CCI)(H)	C(CCCH)(H)3	H(CC3)	107.4585	0.015	2	107.4585	0.000	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CCN)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CCN)(H)	C(CCCH)(H)3	H(CC3)	107.1168	1.144	22	107.1168	1.308	22	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CCO)(H)	C(CCCH)(H)3	H(CC3)	108.2397	1.122	43	108.2397	1.259	43	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CCS)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CCS)(H)	C(CCCH)(H)3	H(CC3)	107.9350	0.038	2	107.9350	0.001	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CHN)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CHN)(H)	C(CCCH)(H)3	H(CC3)	107.4996	1.390	5	107.4996	1.931	5	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CNN)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CNN)(H)	C(CCCH)(H)3	H(CC3)	107.0393	0.048	6	107.0393	0.002	6	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CNO)(H)	C(CCCH)(H)3	H(CC3)	108.6509	0.734	107	108.6509	0.539	107	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(COO)(H)	C(CCCH)(H)3	H(CC3)	106.8650	3.533	90	106.8650	12.483	90	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(COS)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(COS)(H)	C(CCCH)(H)3	H(CC3)	108.5200	0.010	2	108.5200	0.000	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(CSS)(H)	C(CCCH)(H)3	H(CC3)	C(CH3)2(CSS)(H)	C(CCCH)(H)3	H(CC3)	104.3895	0.019	2	104.3895	0.000	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CHHN)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	107.2685	1.735	2	107.2685	3.009	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CHHN)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	110.3360	0.000	1	110.3360	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CHHN)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	107.9480	0.000	1	107.9480	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	C(CHHO)(CH3)(CCC)(H)	C(CCCH)(H)3	H(CC3)	107.0810	0.000	1	107.0810	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CHHO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.7624	0.802	5	108.7624	0.644	5	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	C(CHHO)(CH3)(CCO)(H)	C(CCCH)(H)3	H(CC3)	109.0950	0.000	1	109.0950	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHP)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	C(CHHP)(CH3)(COO)(H)	C(CCCH)(H)3	H(CC3)	108.8570	0.000	1	108.8570	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CHHS)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	107.8040	0.847	2	107.8040	0.718	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5a]HH)(CH3)(CNO)(H)	C(CCCH)(H)3	H(CC3)	109.5115	0.057	2	109.5115	0.003	2	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSiCO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	C(CSiCO)(CH3)(CCH)(H)	C(CCCH)(H)3	H(CC3)	108.4780	0.000	1	108.4780	0.000	1	107.8522	3.140	775	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(Br)(H)2	H(CCCN)	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(Br)(H)2	H(CCCN)	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CClHH)(NCH)(H)	C(CCHN)(Cl)(H)2	H(CCCN)	C(CC[6a]HH)(CClHH)(NCH)(H)	C(CCHN)(Cl)(H)2	H(CCCN)	108.9710	0.056	3	108.9710	0.003	3	108.5023	0.881	4	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(Cl)(H)2	H(CCCN)	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(Cl)(H)2	H(CCCN)	107.0960	0.000	1	107.0960	0.000	1	108.5023	0.881	4	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCCH)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	C(CCCH)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	108.2040	0.000	1	108.2040	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCFF)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	C(CCFF)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	108.4920	0.000	1	108.4920	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(F)3	H(CCCN)	108.1349	0.579	7	108.1349	0.335	7	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(NCO)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHH)(CF3)(NCO)(H)	C(CCHN)(F)3	H(CCCN)	108.0230	0.000	1	108.0230	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(F)3	H(CCCN)	108.3960	0.000	1	108.3960	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHH)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	107.9520	0.252	2	107.9520	0.063	2	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHN)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHN)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	107.1240	0.000	1	107.1240	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	107.6620	0.677	4	107.6620	0.458	4	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHS)(CF3)(NCH)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHS)(CF3)(NCH)(H)	C(CCHN)(F)3	H(CCCN)	106.2870	0.000	1	106.2870	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CH)(CF3)(NCC)(H)	C(CCHN)(F)3	H(CCCN)	C(CC[6a]CH)(CF3)(NCC)(H)	C(CCHN)(F)3	H(CCCN)	105.6940	0.000	1	105.6940	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CHHO)(CF3)(NCC)(H)	C(CCHN)(F)3	H(CCCN)	C(CHHO)(CF3)(NCC)(H)	C(CCHN)(F)3	H(CCCN)	105.8653	0.214	4	105.8653	0.046	4	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(F)3	H(CCCN)	108.0030	0.000	1	108.0030	0.000	1	107.4872	1.054	25	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:H-1:	C-4:	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(F)2(H)	H(CCCN)	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(F)2(H)	H(CCCN)	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CC[6a]FH)(CFHH)(NHS)(H)	C(CCHN)(F)(H)2	H(CCCN)	C(CC[6a]FH)(CFHH)(NHS)(H)	C(CCHN)(F)(H)2	H(CCCN)	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	107.2750	0.000	1	107.2750	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC3)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.0238	0.118	8	106.0238	0.014	8	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	107.4354	0.454	13	107.4354	0.206	13	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(NHP)(H)	C(CCHN)(H)3	H(CCCN)	C(CC3)(CH3)(NHP)(H)	C(CCHN)(H)3	H(CCCN)	106.9230	0.206	2	106.9230	0.043	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	107.6773	0.380	4	107.6773	0.144	4	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CCCH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	107.4270	0.000	1	107.4270	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CCCH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	108.8210	0.000	1	108.8210	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CCCO)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.2690	0.000	1	108.2690	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCFH)(CH3)(NSS)(H)	C(CCHN)(H)3	H(CCCN)	C(CCFH)(CH3)(NSS)(H)	C(CCHN)(H)3	H(CCCN)	105.3330	0.000	1	105.3330	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.9117	0.553	13	106.9117	0.306	13	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.4037	0.693	34	108.4037	0.481	34	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(H)3	H(CCCN)	107.1740	0.000	1	107.1740	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	106.2877	4.248	8	106.2877	18.045	8	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHN)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NHN)(H)	C(CCHN)(H)3	H(CCCN)	107.6430	1.011	3	107.6430	1.023	3	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(H)3	H(CCCN)	108.5610	0.450	2	108.5610	0.202	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.0300	0.000	1	108.0300	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHN)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	105.3650	0.000	1	105.3650	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	107.8375	0.101	2	107.8375	0.010	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(H)3	H(CCCN)	107.4290	0.000	1	107.4290	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHO)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.9530	0.324	2	106.9530	0.105	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.4880	0.069	2	108.4880	0.005	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	108.1500	0.000	1	108.1500	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[5]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	109.2330	0.000	1	109.2330	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[5a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	109.2350	0.000	1	109.2350	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	108.7360	0.000	1	108.7360	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)(NCN)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[5a]HH)(CH3)(NCN)(H)	C(CCHN)(H)3	H(CCCN)	106.0010	0.000	1	106.0010	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6]HH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	108.2950	0.120	2	108.2950	0.014	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]CH)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	109.1408	0.432	5	109.1408	0.186	5	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]CO)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.8255	0.124	2	108.8255	0.015	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]CO)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	108.8450	0.000	1	108.8450	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.6470	0.126	3	106.6470	0.016	3	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	109.0320	0.000	1	109.0320	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	109.6790	0.392	4	109.6790	0.154	4	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HH)(CH3)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	104.6110	0.000	1	104.6110	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.3485	0.398	2	108.3485	0.158	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HN)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.0217	0.911	6	108.0217	0.831	6	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HN)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	107.6000	0.000	1	107.6000	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HN)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	107.9175	1.334	2	107.9175	1.780	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	107.2697	1.081	22	107.2697	1.169	22	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.5493	1.013	8	108.5493	1.025	8	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NCP)(H)	C(CCHN)(H)3	H(CCCN)	107.4891	1.556	9	107.4891	2.420	9	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	107.0810	0.000	1	107.0810	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	108.5440	0.412	2	108.5440	0.169	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NSS)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NSS)(H)	C(CCHN)(H)3	H(CCCN)	106.2895	0.026	2	106.2895	0.001	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HS)(CH3)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HS)(CH3)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	106.5190	0.000	1	106.5190	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HS)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HS)(CH3)(NOO)(H)	C(CCHN)(H)3	H(CCCN)	109.4690	0.000	1	109.4690	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.9570	0.000	1	106.9570	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	109.0287	0.163	3	109.0287	0.027	3	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	106.9885	0.588	2	106.9885	0.345	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCo2C)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CCo2C)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	105.7990	0.000	1	105.7990	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NBC)(H)	C(CCHN)(H)3	H(CCCN)	106.4192	1.165	227	106.4192	1.357	227	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NBH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NBH)(H)	C(CCHN)(H)3	H(CCCN)	108.2410	0.038	2	108.2410	0.001	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.7931	1.156	1322	106.7931	1.336	1322	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.4993	0.923	556	108.4993	0.852	556	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCN)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCN)(H)	C(CCHN)(H)3	H(CCCN)	107.5128	1.359	53	107.5128	1.847	53	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCO)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCO)(H)	C(CCHN)(H)3	H(CCCN)	108.0878	2.119	6	108.0878	4.489	6	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCP)(H)	C(CCHN)(H)3	H(CCCN)	106.4873	1.506	461	106.4873	2.268	461	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCS)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCS)(H)	C(CCHN)(H)3	H(CCCN)	107.0934	0.902	11	107.0934	0.814	11	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCU)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCU)(H)	C(CCHN)(H)3	H(CCCN)	108.1132	1.190	56	108.1132	1.417	56	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCV)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCV)(H)	C(CCHN)(H)3	H(CCCN)	108.0685	0.282	10	108.0685	0.080	10	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCW)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCW)(H)	C(CCHN)(H)3	H(CCCN)	107.2787	0.991	38	107.2787	0.983	38	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NCY)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NCY)(H)	C(CCHN)(H)3	H(CCCN)	108.4135	0.563	60	108.4135	0.317	60	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NHN)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NHN)(H)	C(CCHN)(H)3	H(CCCN)	109.3890	0.000	1	109.3890	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NHP)(H)	C(CCHN)(H)3	H(CCCN)	108.2531	0.398	164	108.2531	0.158	164	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.5110	0.273	4	108.5110	0.075	4	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NPP)(H)	C(CCHN)(H)3	H(CCCN)	106.4782	1.002	48	106.4782	1.004	48	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NPU)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NPU)(H)	C(CCHN)(H)3	H(CCCN)	107.8070	0.321	4	107.8070	0.103	4	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NPV)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NPV)(H)	C(CCHN)(H)3	H(CCCN)	108.5212	0.493	8	108.5212	0.243	8	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NSS)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NSS)(H)	C(CCHN)(H)3	H(CCCN)	111.8935	12.641	2	111.8935	159.794	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.4460	0.761	26	108.4460	0.579	26	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(H)3	H(CCCN)	106.6620	0.000	1	106.6620	0.000	1	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(H)3	H(CCCN)	107.3143	2.025	3	107.3143	4.101	3	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(H)3	H(CCCN)	106.5887	1.504	7	106.5887	2.263	7	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.4698	0.646	13	108.4698	0.417	13	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(H)3	H(CCCN)	108.5105	0.460	2	108.5105	0.212	2	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5]CH)(CH3)(NCH)(H)	C(CCHN)(H)3	H(CCCN)	108.3990	0.544	3	108.3990	0.296	3	107.2451	2.007	3278	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHN)(OFeH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CHHN)(OFeH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	108.8590	1.031	2	108.8590	1.063	2	109.5600	1.083	4	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)(CHHN)(ONiH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	C(CClHH)(CHHN)(ONiH)(H)	C(CCHO)(Cl)(H)2	H(CCCO)	110.2610	0.468	2	110.2610	0.219	2	109.5600	1.083	4	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OCV)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OCV)(H)	C(CCHO)(H)3	H(CCCO)	107.2357	0.065	4	107.2357	0.004	4	107.3407	11.613	6	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(OHU)(H)	C(CCHO)(H)3	H(CCCO)	C(CH3)2(OHU)(H)	C(CCHO)(H)3	H(CCCO)	107.5505	7.611	2	107.5505	57.921	2	107.3407	11.613	6	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	H(CCCP)	C(CH3)2(PCC)(H)	C(CCHP)(H)3	H(CCCP)	107.0757	1.787	260	107.0757	3.194	260	107.2626	3.114	372	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	H(CCCP)	C(CH3)2(PCN)(H)	C(CCHP)(H)3	H(CCCP)	107.7478	1.721	87	107.7478	2.961	87	107.2626	3.114	372	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(PCO)(H)	C(CCHP)(H)3	H(CCCP)	C(CH3)2(PCO)(H)	C(CCHP)(H)3	H(CCCP)	107.7224	1.284	8	107.7224	1.649	8	107.2626	3.114	372	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(PCP)(H)	C(CCHP)(H)3	H(CCCP)	C(CH3)2(PCP)(H)	C(CCHP)(H)3	H(CCCP)	107.4515	1.459	15	107.4515	2.130	15	107.2626	3.114	372	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(PNN)(H)	C(CCHP)(H)3	H(CCCP)	C(CH3)2(PNN)(H)	C(CCHP)(H)3	H(CCCP)	107.2070	0.018	2	107.2070	0.000	2	107.2626	3.114	372	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SCW)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SCW)(H)	C(CCHS)(H)3	H(CCCS)	106.3660	0.000	1	106.3660	0.000	1	107.4330	2.277	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(SNO)(H)	C(CCHS)(H)3	H(CCCS)	C(CH3)2(SNO)(H)	C(CCHS)(H)3	H(CCCS)	108.5000	0.000	1	108.5000	0.000	1	107.4330	2.277	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:Br-1:H-1:H-1:	C-4:	C(CBrHH)(NH3)(COO)(H)	C(CCHN)(Br)(H)2	H(CCCN)	C(CBrHH)(NH3)(COO)(H)	C(CCHN)(Br)(H)2	H(CCCN)	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(NH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	109.4750	1.155	28	109.4750	1.335	28	109.2486	1.513	111	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)(NH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	109.1723	1.252	83	109.1723	1.567	83	109.2486	1.513	111	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:S-1:	C-4:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(H)2(S)	H(CCCN)	C(CHHS)(NH3)(COO)(H)	C(CCHN)(H)2(S)	H(CCCN)	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	H(CCNP)	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	H(CCNP)	111.6860	4.961	2	111.6860	24.612	2	111.6860	24.612	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[3]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CH3)(CNO)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H)(CH3)(CNO)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[3]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	C(CC[3]HN)(H)3	H(CC[3]CN)	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	C(CC[3]HN)(H)3	H(CC[3]CN)	108.3250	0.141	2	108.3250	0.020	2	108.3250	0.020	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[3x6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	C(C[3x6]C[6,6,6a]2C[5,6,6])(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	106.6520	0.674	3	106.6520	0.454	3	106.7958	0.321	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[3x6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CH3)(NCH)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	107.0115	0.467	2	107.0115	0.218	2	106.7958	0.321	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[4]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CH3)(NCH)(H)	C(CC[4]HN)(H)3	H(CC[4]CN)	C(C[4]C[4]2H)(CH3)(NCH)(H)	C(CC[4]HN)(H)3	H(CC[4]CN)	108.3400	0.168	3	108.3400	0.028	3	108.3400	0.028	3	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	108.9030	0.000	1	108.9030	0.000	1	108.5290	0.280	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	108.1550	0.000	1	108.1550	0.000	1	108.5290	0.280	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	108.0280	2.918	2	108.0280	8.512	2	107.3820	2.695	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	106.5510	0.000	1	106.5510	0.000	1	107.3820	2.695	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCO)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCO)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.7150	0.000	1	107.7150	0.000	1	107.3820	2.695	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	106.5880	0.000	1	106.5880	0.000	1	107.3820	2.695	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]2C)(CF3)(CCH)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	C(C[5]C[5]2C)(CF3)(CCH)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	106.7410	0.000	1	106.7410	0.000	1	106.6590	0.013	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	106.5770	0.000	1	106.5770	0.000	1	106.6590	0.013	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0022	1.178	30	108.0022	1.387	30	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	109.6980	0.000	1	109.6980	0.000	1	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.7565	0.182	2	108.7565	0.033	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0780	0.501	7	108.0780	0.251	7	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.7680	0.000	1	106.7680	0.000	1	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.7470	3.985	4	105.7470	15.880	4	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.8800	0.000	1	105.8800	0.000	1	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.1695	0.104	2	105.1695	0.011	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2C)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.2260	0.000	1	106.2260	0.000	1	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.1540	0.132	2	108.1540	0.017	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6460	0.027	2	107.6460	0.001	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CH3)(CCO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2O)(CH3)(CCO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1880	0.000	1	107.1880	0.000	1	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1100	0.000	1	107.1100	0.000	1	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.9845	0.521	2	106.9845	0.272	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.2370	0.000	1	107.2370	0.000	1	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.2770	0.540	2	108.2770	0.292	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.2530	0.936	12	108.2530	0.876	12	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6366	0.982	10	107.6366	0.965	10	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.2738	0.264	5	108.2738	0.069	5	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	112.3445	2.997	2	112.3445	8.985	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.1460	0.195	2	108.1460	0.038	2	107.8839	2.342	91	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]2H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	H(CC[5]CN)	C(C[5]C[5]2H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	H(CC[5]CN)	106.2960	0.000	1	106.2960	0.000	1	106.8450	0.603	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C(CC[5]HN)(F)3	H(CC[5]CN)	107.3940	0.000	1	107.3940	0.000	1	106.8450	0.603	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.4990	0.000	1	107.4990	0.000	1	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	106.6887	0.377	4	106.6887	0.142	4	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	108.7580	0.912	2	108.7580	0.832	2	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.5980	0.000	1	107.5980	0.000	1	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.0320	1.640	22	107.0320	2.689	22	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(CH3)(NCH)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.9326	0.829	8	107.9326	0.686	8	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(CH3)(NCP)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	106.7280	0.494	2	106.7280	0.244	2	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Mn)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Mn)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.3540	0.000	1	107.3540	0.000	1	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Ru)(CH3)(NCC)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	106.9500	0.000	1	106.9500	0.000	1	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.8140	0.000	1	107.8140	0.000	1	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.6603	0.386	3	107.6603	0.149	3	107.3063	1.670	46	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)(COO)(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	109.4480	0.000	1	109.4480	0.000	1	108.0780	3.754	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[5,6,6]C[6]2)(CH3)(CCH)(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	106.7080	0.000	1	106.7080	0.000	1	108.0780	3.754	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.6140	0.151	3	107.6140	0.023	3	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9245	0.508	2	107.9245	0.258	2	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	110.8720	0.000	1	110.8720	0.000	1	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]O[6]H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.7460	0.000	1	106.7460	0.000	1	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CH3)(CCO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2C)(CH3)(CCO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.6310	0.000	1	106.6310	0.000	1	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CH3)(CHH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	104.7040	0.000	1	104.7040	0.000	1	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.1012	0.683	10	108.1012	0.467	10	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.1055	0.619	2	108.1055	0.383	2	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CH3)(CCO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.0120	0.000	1	109.0120	0.000	1	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]C)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	104.9500	0.000	1	104.9500	0.000	1	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8095	1.678	2	107.8095	2.816	2	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CH3)(CCO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.5480	0.000	1	109.5480	0.000	1	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CH3)(COO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.5160	0.540	3	108.5160	0.292	3	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]S[6]2C)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]S[6]2C)(CH3)(CCH)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0280	0.122	2	107.0280	0.015	2	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]S[6]2Si)(CH3)(CHO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]S[6]2Si)(CH3)(CHO)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.0695	0.252	2	106.0695	0.064	2	107.7497	1.637	33	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[3,6]C[6]H)(CH3)(NOS)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.5040	0.000	1	106.5040	0.000	1	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[5,6]O[6]H)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.9250	0.000	1	108.9250	0.000	1	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.2815	0.373	2	107.2815	0.139	2	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2Cr)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.0130	0.899	2	107.0130	0.809	2	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(CH3)(NCC)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.7280	0.000	1	107.7280	0.000	1	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.8420	0.326	5	107.8420	0.106	5	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Pd)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2Pd)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	106.2510	0.274	2	106.2510	0.075	2	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2Ru)(CH3)(NCP)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	107.2960	0.000	1	107.2960	0.000	1	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.1050	0.000	1	109.1050	0.000	1	107.4912	0.761	16	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCHH)(CH3)(CCH)(H)	C(CCHN)(H)3	H(CCCN)	C(NCHH)(CH3)(CCH)(H)	C(CCHN)(H)3	H(CCCN)	108.2666	0.180	5	108.2666	0.032	5	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	109.1026	0.562	14	109.1026	0.316	14	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]HH)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]HH)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	109.3105	0.127	2	109.3105	0.016	2	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCaHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCaHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	109.5040	0.000	1	109.5040	0.000	1	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	106.8248	0.202	9	106.8248	0.041	9	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	106.1720	0.000	1	106.1720	0.000	1	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCH)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCH)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	107.1125	1.089	8	107.1125	1.185	8	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	105.8098	2.475	4	105.8098	6.127	4	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	104.9065	2.634	2	104.9065	6.938	2	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuCH)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	C(NCuCH)(CH3)(CCN)(H)	C(CCHN)(H)3	H(CCCN)	107.5580	0.583	4	107.5580	0.340	4	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuHH)(CH3)(CHH)(H)	C(CCHN)(H)3	H(CCCN)	C(NCuHH)(CH3)(CHH)(H)	C(CCHN)(H)3	H(CCCN)	106.9210	0.000	1	106.9210	0.000	1	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NHHW)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NHHW)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	108.2440	0.000	1	108.2440	0.000	1	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMgCC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NMgCC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	105.7117	0.128	3	105.7117	0.016	3	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMnCC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NMnCC)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	106.4890	0.000	1	106.4890	0.000	1	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMoCO)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NMoCO)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	108.6055	0.790	2	108.6055	0.624	2	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	107.4417	1.140	6	107.4417	1.299	6	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdCC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(NPdCC)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	107.6435	0.540	4	107.6435	0.292	4	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdHH)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	C(NPdHH)(CH3)(CNO)(H)	C(CCHN)(H)3	H(CCCN)	109.3010	0.000	1	109.3010	0.000	1	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPtCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NPtCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	109.7135	0.158	2	109.7135	0.025	2	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPtHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NPtHH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	106.9210	0.000	1	106.9210	0.000	1	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	C(NZnCH)(CH3)(COO)(H)	C(CCHN)(H)3	H(CCCN)	108.7555	0.148	2	108.7555	0.022	2	107.6900	2.145	74	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]TiC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]TiC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	110.9820	0.000	1	110.9820	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2O)(CH3)(CCO)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2O)(CH3)(CCO)(H)	C(CCHP)(H)3	H(CCCP)	108.5270	0.000	1	108.5270	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CO)(CH3)(CCH)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CO)(CH3)(CCH)(H)	C(CCHP)(H)3	H(CCCP)	110.3550	0.000	1	110.3550	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CoC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CoC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	108.0070	0.000	1	108.0070	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PdC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]PdC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	105.2750	0.000	1	105.2750	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIrCC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PIrCC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	110.5960	0.000	1	110.5960	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNiCC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PNiCC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	110.7110	0.000	1	110.7110	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PRhCC)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	100.1340	0.000	1	100.1340	0.000	1	108.0734	14.009	8	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	P-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PHOO)(CH3)(NCC)(H)	C(CHNP)(H)3	H(CCNP)	C(PHOO)(CH3)(NCC)(H)	C(CHNP)(H)3	H(CCNP)	105.9215	0.220	2	105.9215	0.048	2	105.9215	0.048	2	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	S-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SCOO)(CH3)(COO)(H)	C(CCHS)(H)3	H(CCCS)	C(SCOO)(CH3)(COO)(H)	C(CCHS)(H)3	H(CCCS)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC3)(CH3)(CCC)(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC3)(CH3)(CCC)(H)	C(CSiCH)(H)3	H(CSiCC)	104.9380	0.000	1	104.9380	0.000	1	104.4481	13.229	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC3)(CH3)(CHH)(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC3)(CH3)(CHH)(H)	C(CSiCH)(H)3	H(CSiCC)	98.1957	0.000	1	98.1957	0.000	1	104.4481	13.229	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]3)(CH3)(COO)(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]3)(CH3)(COO)(H)	C(CSiCH)(H)3	H(CSiCC)	106.3185	1.580	2	106.3185	2.498	2	104.4481	13.229	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:1:1:1:	4:	Si-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]CH)(CH3)(COO)(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]CH)(CH3)(COO)(H)	C(CSiCH)(H)3	H(CSiCC)	106.4700	0.000	1	106.4700	0.000	1	104.4481	13.229	5	107.4199	2.439	4894	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CC)(H)2	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CC)(H)2	H(CC3)	106.1910	0.092	2	106.1910	0.008	2	107.2628	1.658	5	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CN)(H)2	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CN)(H)2	H(CC3)	107.1110	0.000	1	107.1110	0.000	1	107.2628	1.658	5	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CCCH)(CC)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CCCH)(CC)(H)2	H(CC3)	108.4105	1.292	2	108.4105	1.669	2	107.2628	1.658	5	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.8250	0.000	1	107.8250	0.000	1	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.9845	3.176	2	107.9845	10.085	2	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(OC)(H)2	H(CC3)	108.1580	0.328	2	108.1580	0.108	2	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(OS)(H)2	H(CC3)	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(OS)(H)2	H(CC3)	107.7370	0.000	1	107.7370	0.000	1	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(COO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHH)(CHHO)(COO)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.7480	0.000	1	107.7480	0.000	1	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[3]HO)(CHHO)(CCO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CC[3]HO)(CHHO)(CCO)(H)	C(CCCH)(OC)(H)2	H(CC3)	107.5460	0.000	1	107.5460	0.000	1	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(CCC)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CHHO)(CH3)(CCC)(H)	C(CCCH)(OC)(H)2	H(CC3)	106.6840	0.000	1	106.6840	0.000	1	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(CCH)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CHHO)(CH3)(CCH)(H)	C(CCCH)(OC)(H)2	H(CC3)	108.0610	2.973	5	108.0610	8.838	5	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(CCO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CHHO)(CH3)(CCO)(H)	C(CCCH)(OC)(H)2	H(CC3)	109.0860	0.000	1	109.0860	0.000	1	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(COO)(H)	C(CCCH)(OP)(H)2	H(CC3)	C(CHHO)2(COO)(H)	C(CCCH)(OP)(H)2	H(CC3)	107.9510	0.000	1	107.9510	0.000	1	107.9479	3.257	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:P-2:H-1:H-1:	C-4:	C(CHHP)2(CNO)(H)	C(CCCH)(PRe)(H)2	H(CC3)	C(CHHP)2(CNO)(H)	C(CCCH)(PRe)(H)2	H(CC3)	106.9260	0.113	2	106.9260	0.013	2	106.7883	0.033	4	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:P-2:H-1:H-1:	C-4:	C(CHHP)2(CNO)(H)	C(CCCH)(PW)(H)2	H(CC3)	C(CHHP)2(CNO)(H)	C(CCCH)(PW)(H)2	H(CC3)	106.6505	0.100	2	106.6505	0.010	2	106.7883	0.033	4	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(CNO)(H)	C(CCCH)(SPt)(H)2	H(CC3)	C(CHHS)2(CNO)(H)	C(CCCH)(SPt)(H)2	H(CC3)	106.5565	0.029	2	106.5565	0.001	2	105.8615	7.472	6	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)2(COO)(H)	C(CCCH)(SPt)(H)2	H(CC3)	C(CHHS)2(COO)(H)	C(CCCH)(SPt)(H)2	H(CC3)	105.5140	3.460	4	105.5140	11.971	4	105.8615	7.472	6	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCFH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	H(CCCN)	C(CCFH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	H(CCCN)	107.3830	0.000	1	107.3830	0.000	1	108.0627	2.297	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CN)(H)2	H(CCCN)	107.0060	0.000	1	107.0060	0.000	1	108.0627	2.297	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCS)(H)	C(CCHN)(CC)(H)2	H(CCCN)	109.7990	0.000	1	109.7990	0.000	1	108.0627	2.297	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	107.8580	0.219	2	107.8580	0.048	2	108.6857	0.285	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	109.0252	0.290	5	109.0252	0.084	5	108.6857	0.285	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NN)(H)2	H(CCCN)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NN)(H)2	H(CCCN)	108.5220	0.554	4	108.5220	0.307	4	108.6857	0.285	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	108.6975	0.278	2	108.6975	0.077	2	108.6857	0.285	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NP)(H)2	H(CCCN)	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NP)(H)2	H(CCCN)	109.2275	0.076	2	109.2275	0.006	2	108.6857	0.285	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NC)(H)2	H(CCCN)	108.1920	0.000	1	108.1920	0.000	1	108.6857	0.285	16	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.4440	0.000	1	108.4440	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.7464	0.592	9	107.7464	0.351	9	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(OC)(H)2	H(CCCN)	109.0210	0.000	1	109.0210	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.7040	0.000	1	107.7040	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.8500	0.000	1	107.8500	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.2170	0.438	2	107.2170	0.192	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.5580	0.103	2	107.5580	0.011	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCO)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	C(CCCO)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	107.6993	0.244	4	107.6993	0.059	4	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCFF)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCFF)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.1510	0.000	1	108.1510	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCFH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCFH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.9140	0.000	1	109.9140	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.1697	0.111	6	107.1697	0.012	6	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.8985	0.750	4	106.8985	0.562	4	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.6873	0.360	3	107.6873	0.130	3	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4854	0.906	13	108.4854	0.820	13	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.8470	0.000	1	107.8470	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.0080	0.000	1	108.0080	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NMnC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NMnC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.1880	0.546	2	109.1880	0.298	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NSnC)(H)	C(CCHN)(OSn)(H)2	H(CCCN)	C(CCHH)(CHHO)(NSnC)(H)	C(CCHN)(OSn)(H)2	H(CCCN)	112.8250	0.000	1	112.8250	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.8050	2.332	2	106.8050	5.438	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.9005	1.395	2	106.9005	1.946	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	107.6060	0.000	1	107.6060	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	105.1710	0.000	1	105.1710	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.2850	0.000	1	108.2850	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.3040	0.000	1	108.3040	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.0590	0.000	1	107.0590	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OS)(H)2	H(CCCN)	C(CC[5]HH)(CHHO)(NCS)(H)	C(CCHN)(OS)(H)2	H(CCCN)	107.6380	0.585	2	107.6380	0.343	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	C(CC[5a]HH)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	108.3510	0.000	1	108.3510	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]2H)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	C(CC[6a]2H)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	108.8090	0.000	1	108.8090	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.4750	1.085	2	108.4750	1.177	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.0965	0.603	29	107.0965	0.364	29	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	109.3040	0.000	1	109.3040	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4518	0.375	8	108.4518	0.140	8	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.3930	0.000	1	108.3930	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NIrC)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NIrC)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	110.0430	0.000	1	110.0430	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HN)(CHHO)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.1870	0.000	1	107.1870	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CC[6a]HO)(CHHO)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	107.9928	0.466	4	107.9928	0.217	4	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HO)(CHHO)(NHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.5520	0.000	1	107.5520	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.3070	0.000	1	106.3070	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.1780	0.375	2	108.1780	0.140	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	H(CCCN)	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	H(CCCN)	107.5540	0.340	3	107.5540	0.115	3	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	H(CCCN)	106.8663	0.272	4	106.8663	0.074	4	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.2347	2.553	3	106.2347	6.520	3	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.5760	0.459	4	108.5760	0.211	4	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.0304	0.770	5	108.0304	0.593	5	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4715	0.467	2	108.4715	0.218	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)2(NCC)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.3368	0.529	6	106.3368	0.280	6	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(NOO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)2(NOO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	109.0320	0.000	1	109.0320	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(NOO)(H)	C(CCHN)(ON)(H)2	H(CCCN)	C(CHHO)2(NOO)(H)	C(CCHN)(ON)(H)2	H(CCCN)	110.3380	0.000	1	110.3380	0.000	1	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[6]CC)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	C(CN[6]CC)(CHHO)(NHS)(H)	C(CCHN)(OSi)(H)2	H(CCCN)	107.9615	0.118	2	107.9615	0.014	2	107.7146	1.212	149	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(CCHN)(SeC)(H)2	H(CCCN)	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(CCHN)(SeC)(H)2	H(CCCN)	109.5040	0.000	1	109.5040	0.000	1	107.6480	2.592	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(CCCH)(NHS)(H)	C(CCHN)(SeSe)(H)2	H(CCCN)	C(CSeHH)(CCCH)(NHS)(H)	C(CCHN)(SeSe)(H)2	H(CCCN)	106.7200	0.127	2	106.7200	0.016	2	107.6480	2.592	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(OC)(H)2	H(CCCO)	105.8545	0.595	2	105.8545	0.354	2	105.8545	0.354	2	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCHH)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(NCHH)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.6410	0.000	1	108.6410	0.000	1	108.6075	0.934	69	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NH3)(CNO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(NH3)(CNO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	110.1529	1.273	7	110.1529	1.620	7	108.6075	0.934	69	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4455	0.877	46	108.4455	0.768	46	108.6075	0.934	69	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OP)(H)2	H(CCCN)	C(CHHO)(NH3)(COO)(H)	C(CCHN)(OP)(H)2	H(CCCN)	108.3809	0.195	15	108.3809	0.038	15	108.6075	0.934	69	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SC)(H)2	H(CCCN)	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SC)(H)2	H(CCCN)	109.2086	0.297	5	109.2086	0.088	5	108.4175	1.853	44	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SH)(H)2	H(CCCN)	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SH)(H)2	H(CCCN)	108.5249	1.555	28	108.5249	2.417	28	108.4175	1.853	44	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SS)(H)2	H(CCCN)	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SS)(H)2	H(CCCN)	107.7848	0.787	11	107.7848	0.620	11	108.4175	1.853	44	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:Se-2:H-1:H-1:	C-4:	C(CSeHH)(NH3)(COO)(H)	C(CCHN)(SeSe)(H)2	H(CCCN)	C(CSeHH)(NH3)(COO)(H)	C(CCHN)(SeSe)(H)2	H(CCCN)	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[4]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[4]C[4]2N)(CHHO)(NCH)(H)	C(CC[4]HN)(OC)(H)2	H(CC[4]CN)	C(C[4]C[4]2N)(CHHO)(NCH)(H)	C(CC[4]HN)(OC)(H)2	H(CC[4]CN)	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[4]-4:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[4]C[4]2N)(CHHS)(NCH)(H)	C(CC[4]HN)(SC)(H)2	H(CC[4]CN)	C(C[4]C[4]2N)(CHHS)(NCH)(H)	C(CC[4]HN)(SC)(H)2	H(CC[4]CN)	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(CC[5]CH)(CN)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(CC[5]CH)(CN)(H)2	H(CC[5]CC)	106.7010	0.038	2	106.7010	0.001	2	106.7010	0.001	2	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CCH)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CCH)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	108.0330	0.000	1	108.0330	0.000	1	108.4933	0.568	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(COO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(COO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	109.3630	0.000	1	109.3630	0.000	1	108.4933	0.568	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	108.0840	0.000	1	108.0840	0.000	1	108.4933	0.568	3	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(NCH)(H)	C(CC[5]HN)(OH)(H)2	H(CC[5]CN)	C(C[5]C[5]2H)(CHHO)(NCH)(H)	C(CC[5]HN)(OH)(H)2	H(CC[5]CN)	107.1380	0.000	1	107.1380	0.000	1	107.1900	0.005	2	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	C(CC[5]HN)(OSi)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	C(CC[5]HN)(OSi)(H)2	H(CC[5]CN)	107.2420	0.000	1	107.2420	0.000	1	107.1900	0.005	2	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C(CC[5]HN)(SC)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C(CC[5]HN)(SC)(H)2	H(CC[5]CN)	108.2410	0.409	2	108.2410	0.167	2	108.2410	0.167	2	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(COO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CHHO)(COO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(NCC)(H)	C(CC[6]HN)(OH)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(CHHO)(NCC)(H)	C(CC[6]HN)(OH)(H)2	H(CC[6]CN)	107.0510	0.011	2	107.0510	0.000	2	107.0510	0.000	2	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NCuHH)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NCuHH)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.5888	0.436	4	107.5888	0.190	4	107.4371	0.458	8	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NReHH)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NReHH)(CHHO)(COO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.2855	0.903	4	107.2855	0.816	4	107.4371	0.458	8	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NCoHH)(CHHS)(COO)(H)	C(CCHN)(SCo)(H)2	H(CCCN)	C(NCoHH)(CHHS)(COO)(H)	C(CCHN)(SCo)(H)2	H(CCCN)	107.6900	0.000	1	107.6900	0.000	1	107.9527	0.332	25	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NMoHH)(CHHS)(COO)(H)	C(CCHN)(SMo)(H)2	H(CCCN)	C(NMoHH)(CHHS)(COO)(H)	C(CCHN)(SMo)(H)2	H(CCCN)	109.0050	0.380	2	109.0050	0.145	2	107.9527	0.332	25	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NNiCH)(CHHS)(COO)(H)	C(CCHN)(SNi)(H)2	H(CCCN)	C(NNiCH)(CHHS)(COO)(H)	C(CCHN)(SNi)(H)2	H(CCCN)	107.2250	0.000	1	107.2250	0.000	1	107.9527	0.332	25	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NPdHH)(CHHS)(COO)(H)	C(CCHN)(SPd)(H)2	H(CCCN)	C(NPdHH)(CHHS)(COO)(H)	C(CCHN)(SPd)(H)2	H(CCCN)	108.0455	0.405	11	108.0455	0.164	11	107.9527	0.332	25	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(NPtHH)(CHHS)(COO)(H)	C(CCHN)(SPt)(H)2	H(CCCN)	C(NPtHH)(CHHS)(COO)(H)	C(CCHN)(SPt)(H)2	H(CCCN)	107.7392	0.559	10	107.7392	0.313	10	107.9527	0.332	25	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:1:1:	4:	Si-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(SiC[6a]CC)(CHHO)(CCH)(H)	C(CSiCH)(OC)(H)2	H(CSiCC)	C(SiC[6a]CC)(CHHO)(CCH)(H)	C(CSiCH)(OC)(H)2	H(CSiCC)	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	107.9780	1.529	366	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CCHH)(CHOO)(NCC)(H)	C(CCHN)(OC)2(H)	H(CCCN)	C(CCHH)(CHOO)(NCC)(H)	C(CCHN)(OC)2(H)	H(CCCN)	106.7080	0.000	1	106.7080	0.000	1	107.3080	0.720	2	107.3080	0.720	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:2:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)(OC)2(H)	H(CCCN)	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)(OC)2(H)	H(CCCN)	107.9080	0.000	1	107.9080	0.000	1	107.3080	0.720	2	107.3080	0.720	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	B-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(BC[5]ClH)(CCHH)(COO)(H)	C(CBCH)(COO)(H)2	H(CBCC)	C(BC[5]ClH)(CCHH)(COO)(H)	C(CBCH)(COO)(H)2	H(CBCC)	107.1050	0.359	2	107.1050	0.129	2	107.1050	0.129	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.8610	0.000	1	107.8610	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	108.3059	1.152	10	108.3059	1.328	10	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(CCC)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)(CC3)(CCC)(H)	C(CCCH)(CCC)(H)2	H(CC3)	105.0350	0.000	1	105.0350	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CSeN)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CCHO)(CSeN)(H)	C(CCCH)(CCH)(H)2	H(CC3)	108.7530	0.000	1	108.7530	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHS)(COO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)(CCHS)(COO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	109.3800	0.000	1	109.3800	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCC)(H)2	H(CC3)	106.0340	2.523	2	106.0340	6.365	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCH)(H)2	H(CC3)	108.3490	0.586	6	108.3490	0.344	6	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(COO)(H)2	H(CC3)	108.5635	0.207	2	108.5635	0.043	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCC)(H)2	H(CC3)	107.7010	0.000	1	107.7010	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	108.8400	0.000	1	108.8400	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	109.4470	0.744	2	109.4470	0.553	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNS)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)(CH3)(CNS)(H)	C(CCCH)(CCC)(H)2	H(CC3)	107.4560	0.000	1	107.4560	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	109.8790	1.138	2	109.8790	1.296	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	107.6505	1.954	2	107.6505	3.817	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	108.0052	0.970	6	108.0052	0.940	6	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)2(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	107.4373	0.740	3	107.4373	0.548	3	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CCO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)2(CCO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.9620	0.000	2	107.9620	0.000	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)2(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	109.1260	0.202	2	109.1260	0.041	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CC[3]HH)(CCHH)(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	107.5670	0.000	1	107.5670	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CC)(CCHH)(CCO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[5]CC)(CCHH)(CCO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.2090	0.000	1	107.2090	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]CH)(CCHH)(CCO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CC[5]CH)(CCHH)(CCO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	107.3085	0.199	2	107.3085	0.039	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]CH)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[5a]CH)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	106.4840	0.000	1	106.4840	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(CCC)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[6,6]HH)(CCHH)(CCC)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.4890	0.000	1	107.4890	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CCC)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CCC)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.2830	0.000	1	107.2830	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CCC)(H)	C(CCCH)(CCO)(H)2	H(CC3)	106.7190	0.000	1	106.7190	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[6a]CC)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.9930	0.296	2	107.9930	0.087	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CCN)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CCN)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.3870	0.000	1	107.3870	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	108.1750	0.031	2	108.1750	0.001	2	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(CCH)(H)	C(CCCH)(CNO)(H)2	H(CC3)	C(CN[5]HH)(CCHH)(CCH)(H)	C(CCCH)(CNO)(H)2	H(CC3)	108.9300	0.000	1	108.9300	0.000	1	108.0311	1.302	60	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CCH)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CCHH)(CHHN)(CCH)(H)	C(CCCH)(NOO)(H)2	H(CC3)	109.1890	0.000	1	109.1890	0.000	1	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CCN)(H)	C(CCCH)(NHS)(H)2	H(CC3)	C(CCHH)(CHHN)(CCN)(H)	C(CCCH)(NHS)(H)2	H(CC3)	107.5130	0.000	1	107.5130	0.000	1	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CNO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CCHH)(CHHN)(CNO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	109.0180	0.000	1	109.0180	0.000	1	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(COO)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CCHH)(CHHN)(COO)(H)	C(CCCH)(NOO)(H)2	H(CC3)	107.6060	0.395	2	107.6060	0.156	2	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(CCH)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CCHN)(CHHN)(CCH)(H)	C(CCCH)(NOO)(H)2	H(CC3)	107.6930	0.000	1	107.6930	0.000	1	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(CNO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(CNO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	109.6475	0.279	2	109.6475	0.078	2	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(COO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(COO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	108.5830	0.000	1	108.5830	0.000	1	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(COO)(H)	C(CCCH)(NNiC)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(COO)(H)	C(CCCH)(NNiC)(H)2	H(CC3)	108.6410	0.000	1	108.6410	0.000	1	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CF3)(CNO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CHHN)(CF3)(CNO)(H)	C(CCCH)(NCH)(H)2	H(CC3)	108.5713	0.199	3	108.5713	0.040	3	108.5275	0.579	13	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)2(CNO)(H)	C(CCCH)(SFe2)(H)2	H(CC3)	C(CHHS)2(CNO)(H)	C(CCCH)(SFe2)(H)2	H(CC3)	109.2290	0.064	2	109.2290	0.004	2	109.2290	0.004	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBr2C)(CBrCH)(NHS)(H)	C(CCHN)(CNO)(Br)(H)	H(CCCN)	C(CBr2C)(CBrCH)(NHS)(H)	C(CCHN)(CNO)(Br)(H)	H(CCCN)	106.8910	0.000	1	106.8910	0.000	1	107.0595	0.057	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(COS)(Br)(H)	H(CCCN)	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(COS)(Br)(H)	H(CCCN)	107.2280	0.000	1	107.2280	0.000	1	107.0595	0.057	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(CCH)(Cl)(H)	H(CCCN)	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(CCH)(Cl)(H)	H(CCCN)	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(COO)(F)2	H(CCCN)	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(COO)(F)2	H(CCCN)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(COO)(F)(H)	H(CCCN)	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(COO)(F)(H)	H(CCCN)	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	107.8590	0.000	1	107.8590	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	107.5435	1.016	2	107.5435	1.032	2	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.7630	0.000	1	107.7630	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.6898	0.329	4	107.6898	0.108	4	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	106.8010	0.254	3	106.8010	0.064	3	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(NOO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CCHN)(NOO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.4740	0.000	1	107.4740	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.8350	0.000	1	108.8350	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	108.3528	0.605	4	108.3528	0.366	4	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.7407	0.089	3	107.7407	0.008	3	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.3680	0.000	1	108.3680	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	108.6780	0.000	1	108.6780	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	108.5180	0.281	3	108.5180	0.079	3	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.2235	0.046	2	108.2235	0.002	2	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(NCC)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)2(NCC)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	107.0600	0.000	1	107.0600	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(NCH)(H)	C(CCHN)(CHO)(H)2	H(CCCN)	C(CCHH)2(NCH)(H)	C(CCHN)(CHO)(H)2	H(CCCN)	108.3632	0.421	4	108.3632	0.177	4	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(NHS)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	C(CCHH)2(NHS)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	107.7900	0.000	1	107.7900	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	108.2280	0.000	1	108.2280	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCP)(H)2	H(CCCN)	C(CC[5]HN)(CCHH)(NOO)(H)	C(CCHN)(CCP)(H)2	H(CCCN)	108.4680	0.000	1	108.4680	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]CH)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	C(CC[5a]CH)(CCHH)(NOO)(H)	C(CCHN)(CCC)(H)2	H(CCCN)	109.3050	0.000	1	109.3050	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	108.2927	0.495	4	108.2927	0.246	4	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CC[6a]HN)(CCHH)(NCC)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.7350	0.000	1	108.7350	0.000	1	108.0505	0.415	41	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	107.6770	0.969	7	107.6770	0.940	7	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	107.1580	0.604	2	107.1580	0.365	2	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCS)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(NCS)(H)2	H(CCCN)	107.5310	0.000	1	107.5310	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	107.5060	0.000	1	107.5060	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CCHH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	108.0893	0.021	3	108.0893	0.000	3	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(NHN)(H)2	H(CCCN)	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(NHN)(H)2	H(CCCN)	109.0430	0.000	1	109.0430	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHN)(NNiC)(H)	C(CCHN)(NNiC)(H)2	H(CCCN)	C(CC[5a]HH)(CHHN)(NNiC)(H)	C(CCHN)(NNiC)(H)2	H(CCCN)	109.6263	1.445	3	109.6263	2.087	3	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CC[6a]HH)(CHHN)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	108.2391	0.729	15	108.2391	0.531	15	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	107.2300	0.000	1	107.2300	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	108.1300	0.000	1	108.1300	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	108.6231	0.441	16	108.6231	0.195	16	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	106.3490	0.000	1	106.3490	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	107.0920	0.000	1	107.0920	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	C(CHHN)2(NCH)(H)	C(CCHN)(NCC)(H)2	H(CCCN)	107.5300	0.581	4	107.5300	0.338	4	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(NHN)(H)	C(CCHN)(NHN)(H)2	H(CCCN)	C(CHHN)2(NHN)(H)	C(CCHN)(NHN)(H)2	H(CCCN)	109.2450	0.000	1	109.2450	0.000	1	108.1897	0.786	58	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NFeC)(H)	C(CCHN)(OFe2)(H)2	H(CCCN)	C(CCCH)(CHHO)(NFeC)(H)	C(CCHN)(OFe2)(H)2	H(CCCN)	107.9865	1.484	2	107.9865	2.203	2	107.9865	2.203	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(CCHN)(SCO)(H)2	H(CCCN)	C(CC[6a]HH)(CHHS)(NCH)(H)	C(CCHN)(SCO)(H)2	H(CCCN)	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OCoB)(H)	C(CCHO)(NCoC)(H)2	H(CCCO)	C(CHHN)2(OCoB)(H)	C(CCHO)(NCoC)(H)2	H(CCCO)	108.9867	0.056	3	108.9867	0.003	3	108.7942	6.125	27	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OCu2)(H)	C(CCHO)(NCuC)(H)2	H(CCCO)	C(CHHN)2(OCu2)(H)	C(CCHO)(NCuC)(H)2	H(CCCO)	107.0572	3.754	8	107.0572	14.090	8	108.7942	6.125	27	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(OFe2)(H)	C(CCHO)(NFeC)(H)2	H(CCCO)	C(CHHN)2(OFe2)(H)	C(CCHO)(NFeC)(H)2	H(CCCO)	110.1476	1.412	10	110.1476	1.995	10	108.7942	6.125	27	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(ONi2)(H)	C(CCHO)(NNiC)(H)2	H(CCCO)	C(CHHN)2(ONi2)(H)	C(CCHO)(NNiC)(H)2	H(CCCO)	108.7583	0.133	6	108.7583	0.018	6	108.7942	6.125	27	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OAl2)(H)	C(CCHO)(OAl2)(H)2	H(CCCO)	C(CCHH)(CHHO)(OAl2)(H)	C(CCHO)(OAl2)(H)2	H(CCCO)	108.6075	0.115	2	108.6075	0.013	2	108.6075	0.013	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(SRhC)(H)	C(CCHS)(CHH)(H)2	H(CCCS)	C(CCHH)2(SRhC)(H)	C(CCHS)(CHH)(H)2	H(CCCS)	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)(CHHS)(SFe2)(H)	C(CCHS)(SFe2)(H)2	H(CCCS)	C(CCHH)(CHHS)(SFe2)(H)	C(CCHS)(SFe2)(H)2	H(CCCS)	107.7245	0.235	2	107.7245	0.055	2	107.7245	0.055	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CNO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(NCHH)(CNO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.2210	2.915	3	108.2210	8.496	3	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(CHH)(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(CHH)(H)2	H(CCCN)	106.2290	0.000	1	106.2290	0.000	1	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	109.8870	0.000	1	109.8870	0.000	1	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	108.9860	0.666	3	108.9860	0.444	3	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.6645	0.979	2	108.6645	0.959	2	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	109.4555	0.056	2	109.4555	0.003	2	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	107.7475	0.474	11	107.7475	0.225	11	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.4718	1.630	15	108.4718	2.655	15	108.3231	1.979	38	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:S-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SO3)(COO)(H)	C(CCHS)(COO)(H)2	H(CCCS)	C(CCHH)(SO3)(COO)(H)	C(CCHS)(COO)(H)2	H(CCCS)	107.4740	0.347	3	107.4740	0.120	3	107.4740	0.120	3	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C-4:S-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(SCOO)(CCH)(H)	C(CCHS)(NCC)(H)2	H(CCCS)	C(CHHN)(SCOO)(CCH)(H)	C(CCHS)(NCC)(H)2	H(CCCS)	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[3]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	C(CC[3]HN)(CCH)(H)2	H(CC[3]CN)	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	C(CC[3]HN)(CCH)(H)2	H(CC[3]CN)	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHH)(COO)(H)	C(CC[3x6]CH)(COO)(H)2	H(CC[3x6]CC)	C(C[3x6]C[6,6]3)(CCHH)(COO)(H)	C(CC[3x6]CH)(COO)(H)2	H(CC[3x6]CC)	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[3x6]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	C(CC[3x6]HN)(CCH)(H)2	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CCHH)(NCH)(H)	C(CC[3x6]HN)(CCH)(H)2	H(CC[3x6]CN)	106.6855	0.151	2	106.6855	0.023	2	106.6855	0.023	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CC[3]O)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CC[3]O)(H)2	H(CC[5]CC)	109.3640	0.000	1	109.3640	0.000	1	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	C(CC[5]CH)(CNO)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	C(CC[5]CH)(CNO)(H)2	H(CC[5]CC)	107.2720	0.000	1	107.2720	0.000	1	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C(CC[5]CH)(CC[5a]O)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C(CC[5]CH)(CC[5a]O)(H)2	H(CC[5]CC)	107.4750	0.000	1	107.4750	0.000	1	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	107.7230	0.737	2	107.7230	0.543	2	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CCO)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CCO)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	109.7625	0.504	2	109.7625	0.254	2	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(COO)(H)	C(CC[5]CH)(CCC)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(COO)(H)	C(CC[5]CH)(CCC)(H)2	H(CC[5]CC)	109.5550	0.000	2	109.5550	0.000	2	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	107.9330	0.590	2	107.9330	0.348	2	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	106.2060	0.000	1	106.2060	0.000	1	108.3553	1.521	12	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	108.4930	0.000	1	108.4930	0.000	1	108.0800	0.341	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2N)(CHHN)(CCH)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	C(C[5]C[5]2N)(CHHN)(CCH)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	107.6670	0.000	1	107.6670	0.000	1	108.0800	0.341	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C(CC[5]HN)(COO)(F)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C(CC[5]HN)(COO)(F)2	H(CC[5]CN)	108.3195	0.508	2	108.3195	0.258	2	108.3195	0.258	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	108.7760	4.075	3	108.7760	16.602	3	108.3648	7.366	6	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	107.9537	1.143	3	107.9537	1.306	3	108.3648	7.366	6	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[5]-4:C-4:O-3:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	C(CC[5]HO)(OCoC)(H)2	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	C(CC[5]HO)(OCoC)(H)2	H(CC[5]CO)	108.9605	0.029	2	108.9605	0.001	2	108.9605	0.001	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(CCHH)(COO)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	107.9350	0.000	1	107.9350	0.000	1	108.2270	0.171	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	C(CC[6]CH)(CCC)(H)2	H(CC[6]CC)	C(C[6]C[6]P[6]H)(CCHH)(CCH)(H)	C(CC[6]CH)(CCC)(H)2	H(CC[6]CC)	108.5190	0.000	1	108.5190	0.000	1	108.2270	0.171	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CHHN)(CBrC)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	107.3118	0.236	4	107.3118	0.056	4	108.2177	1.036	8	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CHHN)(CCH)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	108.9387	0.227	3	108.9387	0.052	3	108.2177	1.036	8	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHN)(CCO)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CHHN)(CCO)(H)	C(CC[6]CH)(NOO)(H)2	H(CC[6]CC)	109.6790	0.000	1	109.6790	0.000	1	108.2177	1.036	8	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	C(CC[6]HN)(CCH)(Br)(H)	H(CC[6]CN)	C(C[6]C[6]2H)(CBrCH)(NCH)(H)	C(CC[6]HN)(CCH)(Br)(H)	H(CC[6]CN)	106.2325	0.211	2	106.2325	0.045	2	106.2325	0.045	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:	C(C[6]C[6]2H)(CClCH)(NCH)(H)	C(CC[6]HN)(CN[5]O)(Cl)(H)	H(CC[6]CN)	C(C[6]C[6]2H)(CClCH)(NCH)(H)	C(CC[6]HN)(CN[5]O)(Cl)(H)	H(CC[6]CN)	107.5000	0.083	2	107.5000	0.007	2	107.5000	0.007	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:F-1:F-1:	C-4:	C(C[6]C[6]2H)(CCFF)(NHS)(H)	C(CC[6]HN)(CNO)(F)2	H(CC[6]CN)	C(C[6]C[6]2H)(CCFF)(NHS)(H)	C(CC[6]HN)(CNO)(F)2	H(CC[6]CN)	106.7935	0.105	2	106.7935	0.011	2	106.7935	0.011	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(NOO)(H)	C(CC[6]HN)(COO)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(CCHH)(NOO)(H)	C(CC[6]HN)(COO)(H)2	H(CC[6]CN)	108.0220	0.000	1	108.0220	0.000	1	108.0220	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(COO)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	C(NCoCH)(CCHH)(COO)(H)	C(CCHN)(CCO)(H)2	H(CCCN)	106.4760	0.000	1	106.4760	0.000	1	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(NCoCH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	109.5378	0.953	10	109.5378	0.909	10	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCoHH)(CCHH)(COO)(H)	C(CCHN)(CCN)(H)2	H(CCCN)	C(NCoHH)(CCHH)(COO)(H)	C(CCHN)(CCN)(H)2	H(CCCN)	109.9790	0.000	1	109.9790	0.000	1	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCoHH)(CCHH)(COO)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(NCoHH)(CCHH)(COO)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	106.8120	0.000	1	106.8120	0.000	1	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NCuHH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(NCuHH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.1940	0.000	1	108.1940	0.000	1	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(NFeCH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	109.0075	0.612	2	109.0075	0.374	2	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(NNiCH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	108.5450	0.000	1	108.5450	0.000	1	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(NReHH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(NReHH)(CCHH)(COO)(H)	C(CCHN)(COO)(H)2	H(CCCN)	106.6450	0.000	1	106.6450	0.000	1	108.8913	1.750	18	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(NCoCH)(CHHN)(COO)(H)	C(CCHN)(NOO)(H)2	H(CCCN)	C(NCoCH)(CHHN)(COO)(H)	C(CCHN)(NOO)(H)2	H(CCCN)	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NIrHH)(CHHS)(COO)(H)	C(CCHN)(SIrC)(H)2	H(CCCN)	C(NIrHH)(CHHS)(COO)(H)	C(CCHN)(SIrC)(H)2	H(CCCN)	112.7270	0.000	1	112.7270	0.000	1	108.4906	2.033	20	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NPdHH)(CHHS)(COO)(H)	C(CCHN)(SPd2)(H)2	H(CCCN)	C(NPdHH)(CHHS)(COO)(H)	C(CCHN)(SPd2)(H)2	H(CCCN)	107.7690	0.231	2	107.7690	0.053	2	108.4906	2.033	20	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(NReHH)(CHHS)(COO)(H)	C(CCHN)(SReC)(H)2	H(CCCN)	C(NReHH)(CHHS)(COO)(H)	C(CCHN)(SReC)(H)2	H(CCCN)	108.3262	1.094	17	108.3262	1.196	17	108.4906	2.033	20	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N[6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	C(N[6]C[6]2H)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	109.4950	0.000	1	109.4950	0.000	1	108.6700	1.361	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	N[6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2Ni)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	C(N[6]C[6]2Ni)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	107.8450	0.000	1	107.8450	0.000	1	108.6700	1.361	2	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2O)(CCHH)(CNO)(H)	C(CCHP)(CNO)(H)2	H(CCCP)	C(PC[6a]2O)(CCHH)(CNO)(H)	C(CCHP)(CNO)(H)2	H(CCCP)	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	108.2462	1.705	345	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NC)(H)	H(CC3)	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NC)(H)	H(CC3)	107.1350	0.000	1	107.1350	0.000	1	107.1350	0.000	1	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(COO)(OH)(H)	H(CC3)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(COO)(OH)(H)	H(CC3)	106.3640	0.000	1	106.3640	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OC)(H)	H(CC3)	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OC)(H)	H(CC3)	107.7510	1.068	2	107.7510	1.140	2	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	107.5145	0.339	2	107.5145	0.115	2	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CSeN)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CSeN)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	106.2780	0.000	1	106.2780	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHN)(CCHO)(COO)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	C(CCHN)(CCHO)(COO)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	109.7275	2.061	2	109.7275	4.249	2	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	107.1507	0.383	3	107.1507	0.147	3	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OC)(H)	H(CC3)	108.8965	0.094	2	108.8965	0.009	2	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OSi)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OSi)(H)	H(CC3)	107.9640	0.000	1	107.9640	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	109.2325	0.590	2	109.2325	0.349	2	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	106.3900	0.122	2	106.3900	0.015	2	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OS)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OS)(H)	H(CC3)	107.9080	0.000	1	107.9080	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	109.4520	0.000	1	109.4520	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	106.1660	0.000	1	106.1660	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCO)(OH)(H)	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCO)(OH)(H)	H(CC3)	107.9430	0.000	1	107.9430	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6a]CH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OH)(H)	H(CC3)	C(CC[6a]CH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OH)(H)	H(CC3)	107.1570	0.000	1	107.1570	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OH)(H)	H(CC3)	C(CC[6a]HH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OH)(H)	H(CC3)	106.9260	0.000	1	106.9260	0.000	1	107.7764	1.588	24	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(CCH)(OC)(H)	H(CCCN)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(CCH)(OC)(H)	H(CCCN)	107.5450	0.000	1	107.5450	0.000	1	107.7374	0.295	10	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OC)(H)	H(CCCN)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OC)(H)	H(CCCN)	108.5940	0.000	1	108.5940	0.000	1	107.7374	0.295	10	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	107.1970	0.033	2	107.1970	0.001	2	107.7374	0.295	10	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	108.5660	0.000	1	108.5660	0.000	1	107.7374	0.295	10	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(CCH)(OH)(H)	H(CCCN)	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(CCH)(OH)(H)	H(CCCN)	108.2850	0.000	1	108.2850	0.000	1	107.7374	0.295	10	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OC)(H)	H(CCCN)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OC)(H)	H(CCCN)	107.5930	0.194	2	107.5930	0.038	2	107.7374	0.295	10	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OH)(H)	H(CCCN)	107.4020	0.074	2	107.4020	0.005	2	107.7374	0.295	10	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C(CC[5]HN)(COO)(OH)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C(CC[5]HN)(COO)(OH)(H)	H(CC[5]CN)	104.0080	2.003	2	104.0080	4.010	2	106.7824	7.482	5	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:2:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	C(CC[5]HN)(COO)(OH)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	C(CC[5]HN)(COO)(OH)(H)	H(CC[5]CN)	108.6320	0.362	3	108.6320	0.131	3	106.7824	7.482	5	107.6264	1.886	40	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(COO)2(H)	H(CC3)	106.5150	0.000	1	106.5150	0.000	1	108.7384	10.139	5	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CF3)(CCH)(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CCCH)(CF3)(CCH)(H)	C(CCCH)(COO)2(H)	H(CC3)	106.2870	0.000	1	106.2870	0.000	1	108.7384	10.139	5	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)2(CHN)(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CCCH)2(CHN)(H)	C(CCCH)(COO)2(H)	H(CC3)	114.1520	0.000	1	114.1520	0.000	1	108.7384	10.139	5	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CCH)(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CCH)(H)	C(CCCH)(COO)2(H)	H(CC3)	108.3690	0.151	2	108.3690	0.023	2	108.7384	10.139	5	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	107.5240	0.000	1	107.5240	0.000	1	107.6539	4.920	9	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCCH)(CCHN)(COO)(H)	C(CCCH)(CCH)(NCC)(H)	H(CC3)	C(CCCH)(CCHN)(COO)(H)	C(CCCH)(CCH)(NCC)(H)	H(CC3)	106.9310	0.000	1	106.9310	0.000	1	107.6539	4.920	9	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	C(CCHH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	105.9880	1.971	2	105.9880	3.886	2	107.6539	4.920	9	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CC3)(CCH)(H)	C(CCCH)(CCN)(NCC)(H)	H(CC3)	C(CCHN)(CC3)(CCH)(H)	C(CCCH)(CCN)(NCC)(H)	H(CC3)	106.6260	0.000	1	106.6260	0.000	1	107.6539	4.920	9	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(CCH)(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	C(CCHN)(CH3)(CCH)(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	105.5340	0.000	1	105.5340	0.000	1	107.6539	4.920	9	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NCH)(H)	H(CC3)	109.2130	0.000	1	109.2130	0.000	1	107.6539	4.920	9	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]CH)(CCHN)(COO)(H)	C(CCCH)(CCH)(NCC)(H)	H(CC3)	C(CC[6a]CH)(CCHN)(COO)(H)	C(CCCH)(CCH)(NCC)(H)	H(CC3)	110.5405	2.176	2	110.5405	4.734	2	107.6539	4.920	9	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	H(CCCN)	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	H(CCCN)	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(NHS)(H)	C(CCHN)(CCH)(NCC)(H)	H(CCCN)	C(CC[6a]HH)(CCHN)(NHS)(H)	C(CCHN)(CCH)(NCC)(H)	H(CCCN)	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	C(CC[6]CH)(COO)2(H)	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CCCH)(CHN)(H)	C(CC[6]CH)(COO)2(H)	H(CC[6]CC)	105.9005	0.367	2	105.9005	0.135	2	105.9005	0.135	2	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CCCH)(NHS)(H)	C(CC[6]HN)(CCH)2(H)	H(CC[6]CN)	C(C[6]C[6]2H)(CCCH)(NHS)(H)	C(CC[6]HN)(CCH)2(H)	H(CC[6]CN)	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(NCoHH)(CCCH)(COO)(H)	C(CCHN)(COO)2(H)	H(CCCN)	C(NCoHH)(CCCH)(COO)(H)	C(CCHN)(COO)2(H)	H(CCCN)	109.6840	0.489	2	109.6840	0.239	2	109.6840	0.239	2	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:1:	4:	P-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(PC[6a]2O)(CCCH)(CCH)(H)	C(CCHP)(COO)2(H)	H(CCCP)	C(PC[6a]2O)(CCCH)(CCH)(H)	C(CCHP)(COO)2(H)	H(CCCP)	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	108.0761	4.992	22	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCH)(COO)(OH)	H(CC3)	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCH)(COO)(OH)	H(CC3)	108.4250	0.281	2	108.4250	0.079	2	108.3040	0.191	4	108.3040	0.191	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCO)(CNO)(OH)	H(CC3)	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCO)(CNO)(OH)	H(CC3)	108.6490	0.000	1	108.6490	0.000	1	108.3040	0.191	4	108.3040	0.191	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:3:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:O-2:	C-4:	C(CSiHH)(CCCO)(CCH)(H)	C(CCCH)(CCH)(COO)(OH)	H(CC3)	C(CSiHH)(CCCO)(CCH)(H)	C(CCCH)(CCH)(COO)(OH)	H(CC3)	107.7170	0.000	1	107.7170	0.000	1	108.3040	0.191	4	108.3040	0.191	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:4:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)(CCN)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[6a]C[6]H)(CH3)(CCN)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	104.8790	0.000	1	104.8790	0.000	1	104.8790	0.000	1	107.1154	2.111	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(CF3)(NHS)(H)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	H(CCCN)	C(CCCH)(CF3)(NHS)(H)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	H(CCCN)	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	107.1154	2.111	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[3]-4:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	H(CCCN)	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	107.1154	2.111	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:4:1:	4:	C-4:C-4:N-3:H-1:	C[6]-4:N-3:C-4:H-1:	C-4:	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	H(CCCN)	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	H(CCCN)	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	107.1154	2.111	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:3:4:1:	4:	C-4:C-4:S-3:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHH)(CCHS)(SZnC)(H)	C(CCHS)(SZnC)(CH3)(H)	H(CCCS)	C(CCHH)(CCHS)(SZnC)(H)	C(CCHS)(SZnC)(CH3)(H)	H(CCCS)	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	107.1154	2.111	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	B-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[5]FF)(CCHH)(COO)(H)	C(CBCH)(CH3)(H)2	H(CBCC)	C(BC[5]FF)(CCHH)(COO)(H)	C(CBCH)(CH3)(H)2	H(CBCC)	108.1230	0.000	1	108.1230	0.000	1	108.4510	0.204	3	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	B-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BC[5]HH)(CCHH)(COO)(H)	C(CBCH)(CH3)(H)2	H(CBCC)	C(BC[5]HH)(CCHH)(COO)(H)	C(CBCH)(CH3)(H)2	H(CBCC)	108.6150	0.496	2	108.6150	0.246	2	108.4510	0.204	3	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(BCN)(H)	C(CBCH)(CCHH)(H)2	H(CBCC)	C(CCHH)2(BCN)(H)	C(CBCH)(CCHH)(H)2	H(CBCC)	105.2905	0.054	4	105.2905	0.003	4	106.0072	1.235	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(BCO)(H)	C(CBCH)(CCHH)(H)2	H(CBCC)	C(CCHH)2(BCO)(H)	C(CBCH)(CCHH)(H)2	H(CBCC)	107.4405	0.037	2	107.4405	0.001	2	106.0072	1.235	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.5395	0.252	2	106.5395	0.064	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.7110	0.000	1	108.7110	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.2833	0.071	3	108.2833	0.005	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	107.6415	0.074	2	107.6415	0.006	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	110.1020	0.000	1	110.1020	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.0060	0.000	1	107.0060	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.8600	0.000	1	108.8600	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	107.3750	0.000	1	107.3750	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCN)(CCHH)(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.7620	0.000	1	107.7620	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	107.1800	0.000	1	107.1800	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CCCO)(CCHH)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	106.6820	0.000	1	106.6820	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCO)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	104.5850	0.000	1	104.5850	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHN)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.6175	1.064	2	107.6175	1.133	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.5960	0.000	1	106.5960	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.6510	0.000	1	109.6510	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHN)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.2190	0.621	2	107.2190	0.385	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.5505	0.340	2	107.5505	0.116	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHO)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.3570	0.000	1	109.3570	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.9363	1.249	3	108.9363	1.560	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.4300	0.000	1	107.4300	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHO)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.9597	0.395	4	107.9597	0.156	4	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CF3)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.9380	0.000	1	106.9380	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CF3)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.1970	0.000	1	108.1970	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.4995	0.361	2	107.4995	0.131	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.7510	0.000	1	107.7510	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCC)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCC)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC3)	107.0810	0.000	1	107.0810	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.7315	1.692	2	109.7315	2.863	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	108.1210	0.000	1	108.1210	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.6288	0.780	5	107.6288	0.609	5	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)2(H)2	H(CC3)	108.9125	0.098	2	108.9125	0.010	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC3)	108.3990	0.000	1	108.3990	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	108.2597	0.340	3	108.2597	0.115	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC3)	108.3300	0.000	1	108.3300	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCI)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)(CH3)(CCI)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	106.8765	0.281	4	106.8765	0.079	4	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	107.3240	0.000	1	107.3240	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.4035	0.657	13	108.4035	0.432	13	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.3970	1.756	3	107.3970	3.085	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	107.7660	2.025	2	107.7660	4.101	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)2(H)2	H(CC3)	108.0215	0.353	2	108.0215	0.125	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	108.6480	0.000	1	108.6480	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	105.3870	0.000	1	105.3870	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.5845	0.459	2	106.5845	0.211	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	106.2982	0.368	5	106.2982	0.136	5	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CHO)(H)	C(CC[6a]CC)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CHO)(H)	C(CC[6a]CC)(CCCH)(H)2	H(CC3)	107.0830	0.000	1	107.0830	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.5900	1.294	3	106.5900	1.675	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHI)(H)2	H(CC3)	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHI)(H)2	H(CC3)	110.3600	0.000	1	110.3600	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCl3)(H)2	H(CC3)	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCl3)(H)2	H(CC3)	109.9810	0.000	1	109.9810	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.1530	0.000	1	109.1530	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CNO)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)(CNO)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	107.6960	1.056	2	107.6960	1.116	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.3645	0.669	4	107.3645	0.448	4	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	108.3340	0.066	2	108.3340	0.004	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.2993	0.925	18	108.2993	0.855	18	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(COO)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CH3)(COO)(H)	C(CCCH)2(H)2	H(CC3)	108.2180	0.000	1	108.2180	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(CSS)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CH3)(CSS)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.6790	0.000	1	107.6790	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CCN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CHHN)(CCN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.5940	0.000	1	107.5940	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CNO)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CCHH)(CHHN)(CNO)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	108.9580	0.000	1	108.9580	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.8217	1.165	3	108.8217	1.358	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	C(CCHH)(CHHO)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	107.7110	0.000	1	107.7110	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.2342	1.358	5	106.2342	1.845	5	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCC)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)2(CCC)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.2495	0.132	2	107.2495	0.017	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCC)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CCC)(H)	C(CCCH)(CH3)(H)2	H(CC3)	105.1945	1.398	4	105.1945	1.956	4	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCC)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)2(CCC)(H)	C(CCCH)2(H)2	H(CC3)	105.9130	0.000	1	105.9130	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	H(CC3)	C(CCHH)2(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	H(CC3)	108.1670	0.000	1	108.1670	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CCHH)2(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	107.4060	0.000	1	107.4060	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.7725	0.009	2	108.7725	0.000	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCO)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)2(CCO)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	106.0474	0.363	5	106.0474	0.131	5	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCO)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)2(CCO)(H)	C(CCCH)2(H)2	H(CC3)	107.9370	0.000	2	107.9370	0.000	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHN)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CHN)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.9820	0.000	1	108.9820	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.0320	0.000	1	109.0320	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CNO)(H)	C(CCCH)(CC3)(H)2	H(CC3)	C(CCHH)2(CNO)(H)	C(CCCH)(CC3)(H)2	H(CC3)	108.7975	0.189	2	108.7975	0.036	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.5630	1.393	8	108.5630	1.940	8	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.3590	0.000	1	108.3590	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CNO)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)2(CNO)(H)	C(CCCH)2(H)2	H(CC3)	108.8090	0.158	3	108.8090	0.025	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	103.9694	12.119	2	103.9694	146.874	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(COO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	95.3743	0.000	1	95.3743	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(COO)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)2(COO)(H)	C(CCCH)2(H)2	H(CC3)	109.0760	0.000	1	109.0760	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.2083	0.199	3	107.2083	0.040	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HO)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[3]HO)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	105.8860	0.000	1	105.8860	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC3)	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC3)	107.0150	0.000	1	107.0150	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.1023	0.387	7	107.1023	0.150	7	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CC[5]HO)(CCHH)(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	107.0490	0.000	1	107.0490	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	H(CC3)	107.3460	0.000	1	107.3460	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	106.8140	0.000	1	106.8140	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC3)	107.4967	0.248	3	107.4967	0.062	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5a]HH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.7463	0.615	4	109.7463	0.378	4	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HO)(CCHH)(CCC)(H)	C(CC[5,5]HH)(CCCH)(H)2	H(CC3)	C(CC[5a]HO)(CCHH)(CCC)(H)	C(CC[5,5]HH)(CCCH)(H)2	H(CC3)	107.3270	0.000	1	107.3270	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HO)(CCHH)(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC3)	C(CC[5a]HO)(CCHH)(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC3)	107.5460	0.245	4	107.5460	0.060	4	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CHH)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CHH)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	101.2980	0.000	1	101.2980	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CHO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(CHO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.0590	0.000	1	109.0590	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(CNO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	109.1570	0.000	1	109.1570	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.1630	0.041	2	109.1630	0.002	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.1660	0.000	1	108.1660	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CCH)(H)	C(CCCH)2(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CCH)(H)	C(CCCH)2(H)2	H(CC3)	107.3200	0.000	1	107.3200	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.2400	0.000	1	107.2400	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HN)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.6270	0.000	1	108.6270	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.9013	1.042	3	108.9013	1.086	3	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCF)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CCF)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	107.7320	0.000	1	107.7320	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.2195	0.112	2	108.2195	0.013	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCCH)2(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCCH)2(H)2	H(CC3)	108.4140	0.000	1	108.4140	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.0310	1.319	5	108.0310	1.740	5	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CIrCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.3360	1.048	2	106.3360	1.098	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMoCN)(CCHH)(CCN)(H)	C(CC[6a]CC)(CCCH)(H)2	H(CC3)	C(CMoCN)(CCHH)(CCN)(H)	C(CC[6a]CC)(CCCH)(H)2	H(CC3)	108.8745	0.279	2	108.8745	0.078	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CN[5]CH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.3085	0.088	2	108.3085	0.008	2	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CN[5]HH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.0080	0.000	1	107.0080	0.000	1	107.7021	3.063	227	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CN[5]HH)(CCCH)(H)(O)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CN[5]HH)(CCCH)(H)(O)	H(CC3)	108.5010	0.344	2	108.5010	0.118	2	108.5010	0.118	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(COO)(H)	C(CCCH)(NH3)(H)2	H(CC3)	C(CHHN)(CH3)(COO)(H)	C(CCCH)(NH3)(H)2	H(CC3)	108.0700	0.000	1	108.0700	0.000	1	108.0145	0.006	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(COO)(H)	C(CCCH)(NCHH)(H)2	H(CC3)	C(CHHN)2(COO)(H)	C(CCCH)(NCHH)(H)2	H(CC3)	107.9590	0.000	1	107.9590	0.000	1	108.0145	0.006	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	H(CC3)	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	H(CC3)	107.2713	0.206	3	107.2713	0.042	3	107.2713	0.042	3	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(CC[3]HH)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	H(CC3)	C(CC[3]HH)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	H(CC3)	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CH3)(COO)(H)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	H(CC3)	C(CC[3x6]HH)(CH3)(COO)(H)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	H(CC3)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6,6]HH)(CH3)(COO)(H)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	H(CC3)	C(CC[5,6,6]HH)(CH3)(COO)(H)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	H(CC3)	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CC3)(CCH)(H)	C(C[5]C[5]2Ti)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CC3)(CCH)(H)	C(C[5]C[5]2Ti)(CCCH)(H)2	H(CC3)	106.3010	1.115	4	106.3010	1.242	4	106.9639	0.629	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(CC3)	106.8860	0.090	5	106.8860	0.008	5	106.9639	0.629	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(CCC)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)(CCC)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	107.1220	0.582	4	107.1220	0.338	4	106.9639	0.629	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	H(CC3)	108.3020	0.000	1	108.3020	0.000	1	106.9639	0.629	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	H(CC3)	107.9500	0.000	1	107.9500	0.000	1	106.9639	0.629	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)(CCO)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)(CCO)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	107.0490	0.000	1	107.0490	0.000	1	106.9639	0.629	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:	C(CC[6,6]HH)(CCHH)(CCC)(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	H(CC3)	C(CC[6,6]HH)(CCHH)(CCC)(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	H(CC3)	107.4840	0.000	1	107.4840	0.000	1	107.4840	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[6]2C)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[6]2C)(CCCH)(H)2	H(CC3)	107.2440	0.000	1	107.2440	0.000	1	107.6675	0.359	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	108.0910	0.000	1	108.0910	0.000	1	107.6675	0.359	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(COO)(H)	C(NCuCH)(CCCH)(H)2	H(CC3)	C(CHHN)2(COO)(H)	C(NCuCH)(CCCH)(H)2	H(CC3)	107.6385	0.032	2	107.6385	0.001	2	107.4023	0.089	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(COO)(H)	C(NNiCH)(CCCH)(H)2	H(CC3)	C(CHHN)2(COO)(H)	C(NNiCH)(CCCH)(H)2	H(CC3)	107.2843	0.304	4	107.2843	0.092	4	107.4023	0.089	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2N)(CHHP)(COO)(H)	C(PC[6a]2O)(CCCH)(H)2	H(CC3)	C(CC[6a]2N)(CHHP)(COO)(H)	C(PC[6a]2O)(CCCH)(H)2	H(CC3)	108.3680	0.000	1	108.3680	0.000	1	108.6205	0.128	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)(COO)(H)	C(PC[6a]3)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)(COO)(H)	C(PC[6a]3)(CCCH)(H)2	H(CC3)	108.8730	0.000	1	108.8730	0.000	1	108.6205	0.128	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CCHN)(CHHS)(CCH)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	C(CCHN)(CHHS)(CCH)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	107.8690	0.000	1	107.8690	0.000	1	107.4937	0.158	3	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(CC[3]HO)(CHHS)(CCC)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	C(CC[3]HO)(CHHS)(CCC)(H)	C(SC[6a]OO)(CCCH)(H)2	H(CC3)	107.3060	0.324	2	107.3060	0.105	2	107.4937	0.158	3	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCCO)(CCH)(H)	C(SiC[6a]CC)(CCCH)(H)2	H(CC3)	C(CSiHH)(CCCO)(CCH)(H)	C(SiC[6a]CC)(CCCH)(H)2	H(CC3)	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CCHH)(NCH)(H)	C(CCHN)(CHHN)(Cl)(H)	H(CCCN)	C(CClCH)(CCHH)(NCH)(H)	C(CCHN)(CHHN)(Cl)(H)	H(CCCN)	107.8933	0.090	3	107.8933	0.008	3	107.7700	0.066	4	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CH3)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	H(CCCN)	C(CClCH)(CH3)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	H(CCCN)	107.4000	0.000	1	107.4000	0.000	1	107.7700	0.066	4	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(F)2	H(CCCN)	C(CCFF)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(F)2	H(CCCN)	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(F)(H)	H(CCCN)	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(F)(H)	H(CCCN)	108.2480	0.000	1	108.2480	0.000	1	108.0372	2.507	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CH3)(NSS)(H)	C(CCHH)(CCHN)(F)(H)	H(CCCN)	C(CCFH)(CH3)(NSS)(H)	C(CCHH)(CCHN)(F)(H)	H(CCCN)	105.2570	0.000	1	105.2570	0.000	1	108.0372	2.507	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CCFH)(CHHO)(NHH)(H)	C(CCHH)(CCHN)(F)(H)	H(CCCN)	C(CCFH)(CHHO)(NHH)(H)	C(CCHH)(CCHN)(F)(H)	H(CCCN)	108.8200	0.000	1	108.8200	0.000	1	108.0372	2.507	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(CCFH)(NHS)(H)	C(CCHN)(CH3)(F)(H)	H(CCCN)	C(CC[6a]FH)(CCFH)(NHS)(H)	C(CCHN)(CH3)(F)(H)	H(CCCN)	108.9305	0.209	2	108.9305	0.044	2	108.0372	2.507	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.0175	0.185	2	107.0175	0.034	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.6363	1.085	18	107.6363	1.176	18	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	105.4290	0.000	1	105.4290	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.1530	0.000	1	108.1530	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.1900	0.000	1	107.1900	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(H)2	H(CCCN)	107.5970	0.000	1	107.5970	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.6330	0.000	1	109.6330	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.7800	0.020	2	108.7800	0.000	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	107.0025	0.230	2	107.0025	0.053	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.6760	0.000	1	108.6760	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	107.0840	0.000	1	107.0840	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CC3)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.0185	0.144	2	108.0185	0.021	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	107.7890	0.000	1	107.7890	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	105.9440	0.000	1	105.9440	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.7840	0.000	1	107.7840	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.3110	0.000	1	107.3110	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.1997	0.314	3	108.1997	0.099	3	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.3975	0.917	2	108.3975	0.841	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.7607	0.127	3	107.7607	0.016	3	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.3490	0.240	4	107.3490	0.058	4	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.0965	0.527	2	107.0965	0.278	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.1580	0.000	1	107.1580	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	106.7057	0.514	6	106.7057	0.265	6	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	107.2250	0.000	1	107.2250	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]2C)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]2C)(CCHN)(H)2	H(CCCN)	106.3750	0.000	1	106.3750	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	107.9510	0.000	1	107.9510	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.4044	0.576	14	108.4044	0.331	14	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.3949	1.085	11	108.3949	1.178	11	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.6210	0.049	2	108.6210	0.002	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(CCHP)(H)2	H(CCCN)	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(CCHP)(H)2	H(CCCN)	107.2380	0.000	1	107.2380	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	106.3179	4.198	8	106.3179	17.620	8	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHN)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NHN)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.6350	0.996	3	107.6350	0.993	3	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.5170	0.409	2	108.5170	0.167	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.5803	0.521	11	108.5803	0.272	11	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHN)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.3445	0.094	2	108.3445	0.009	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.2322	0.254	8	107.2322	0.065	8	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	106.6655	0.395	4	106.6655	0.156	4	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.8615	0.514	2	108.8615	0.264	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.0810	0.313	2	108.0810	0.098	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.3852	1.028	11	108.3852	1.058	11	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.8850	0.000	1	107.8850	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.9990	0.000	1	107.9990	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NMnC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NMnC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.1825	0.537	2	109.1825	0.288	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NSnC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NSnC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.2380	0.000	1	109.2380	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHOO)(NCC)(H)	C(CC[6]HO)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHOO)(NCC)(H)	C(CC[6]HO)(CCHN)(H)2	H(CCCN)	106.7190	0.000	1	106.7190	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.5295	0.654	2	106.5295	0.428	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)2(NCC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	106.6598	0.091	4	106.6598	0.008	4	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	110.9965	3.146	4	110.9965	9.898	4	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.6139	2.752	7	107.6139	7.571	7	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	C(CCHH)2(NCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	108.8730	0.000	1	108.8730	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCH)(H)	C(CC[6]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCH)(H)	C(CC[6]HH)(CCHN)(H)2	H(CCCN)	108.0785	0.394	2	108.0785	0.155	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.0600	0.000	1	107.0600	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.1280	0.000	1	107.1280	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCuC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCuC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.6737	0.733	4	106.6737	0.537	4	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCuC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)2(NCuC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.8470	1.537	2	107.8470	2.363	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCuC)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(CCHH)2(NCuC)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	105.8730	1.155	2	105.8730	1.335	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NFeC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NFeC)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.7970	0.055	2	107.7970	0.003	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NHP)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NHP)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.1695	0.889	2	106.1695	0.790	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.6158	0.568	4	108.6158	0.322	4	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NHS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	C(CCHH)2(NHS)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	109.1290	0.246	2	109.1290	0.061	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NHS)(H)	C(CC[6a]CH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NHS)(H)	C(CC[6a]CH)(CCHN)(H)2	H(CCCN)	107.7040	0.000	1	107.7040	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NZnC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)2(NZnC)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.5280	0.051	4	108.5280	0.003	4	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.4430	0.000	1	107.4430	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[5]HO)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.2930	0.000	1	108.2930	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CC[6a]2O)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.3570	0.747	3	108.3570	0.558	3	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.2550	1.184	2	106.2550	1.401	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.1895	0.869	2	107.1895	0.755	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.6695	2.272	2	108.6695	5.162	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	108.5960	0.000	1	108.5960	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	106.4520	0.000	1	106.4520	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.7920	0.000	1	106.7920	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.2543	0.217	3	109.2543	0.047	3	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.1519	0.636	16	108.1519	0.405	16	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHN)(CCHO)(H)2	H(CCCN)	107.8865	0.107	2	107.8865	0.011	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.2340	0.000	1	108.2340	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CClCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CClCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.9113	0.105	3	107.9113	0.011	3	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CN[5]CH)(CCHH)(NCH)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.1105	0.202	2	108.1105	0.041	2	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CNiOO)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CNiOO)(CCHH)(NHS)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.6190	0.000	1	109.6190	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiCC)(CCHH)(NHP)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CSiCC)(CCHH)(NHP)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	106.5470	0.000	1	106.5470	0.000	1	107.8550	1.999	236	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	107.5840	0.000	1	107.5840	0.000	1	108.1955	1.641	15	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC3)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(NC3)(H)2	H(CCCN)	108.6960	0.000	1	108.6960	0.000	1	108.1955	1.641	15	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	H(CCCN)	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	H(CCCN)	108.1930	1.560	8	108.1930	2.435	8	108.1955	1.641	15	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(NCHH)(H)2	H(CCCN)	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(NCHH)(H)2	H(CCCN)	106.6240	0.000	1	106.6240	0.000	1	108.1955	1.641	15	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	H(CCCN)	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	H(CCCN)	108.6903	1.015	3	108.6903	1.031	3	108.1955	1.641	15	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCHH)(H)2	H(CCCN)	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCHH)(H)2	H(CCCN)	108.4140	0.000	1	108.4140	0.000	1	108.1955	1.641	15	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:O-4:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	C(CCCH)(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	H(CCCN)	106.9147	0.312	4	106.9147	0.097	4	106.9147	0.097	4	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(PO3)(H)2	H(CCCN)	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(PO3)(H)2	H(CCCN)	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(NTiS)(H)	C(C[5]C[5]2Ti)(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(CCCH)(NTiS)(H)	C(C[5]C[5]2Ti)(CCHN)(H)2	H(CCCN)	108.2740	0.000	1	108.2740	0.000	1	107.6352	0.298	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]H)(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]H)(CCHN)(H)2	H(CCCN)	107.4440	0.000	1	107.4440	0.000	1	107.6352	0.298	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	H(CCCN)	107.7220	0.588	2	107.7220	0.346	2	107.6352	0.298	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	H(CCCN)	107.0140	0.000	1	107.0140	0.000	1	107.6352	0.298	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)(NOO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(CH3)(NOO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	H(CCCN)	108.2975	0.030	2	108.2975	0.001	2	107.9172	3.133	4	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	H(CCCN)	105.4370	0.000	1	105.4370	0.000	1	107.9172	3.133	4	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6]C[6]2H)(CCHN)(H)2	H(CCCN)	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6]C[6]2H)(CCHN)(H)2	H(CCCN)	109.6370	0.000	1	109.6370	0.000	1	107.9172	3.133	4	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(NCH)(H)	C(NPtHH)(CCHN)(H)2	H(CCCN)	C(CHHN)2(NCH)(H)	C(NPtHH)(CCHN)(H)2	H(CCCN)	106.4650	0.025	2	106.4650	0.001	2	106.4650	0.001	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CC3)(NCH)(H)	C(N[5]C[5]2C)(CCHN)(H)2	H(CCCN)	C(CN[5]HH)(CC3)(NCH)(H)	C(N[5]C[5]2C)(CCHN)(H)2	H(CCCN)	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CHHP)(NFeC)(H)	C(PC[6a]2Fe)(CCHN)(H)2	H(CCCN)	C(CCCH)(CHHP)(NFeC)(H)	C(PC[6a]2Fe)(CCHN)(H)2	H(CCCN)	107.1395	0.370	2	107.1395	0.137	2	108.7752	3.706	9	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHP)(NCC)(H)	C(PC[6a]2Ru)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHP)(NCC)(H)	C(PC[6a]2Ru)(CCHN)(H)2	H(CCCN)	106.7870	0.000	1	106.7870	0.000	1	108.7752	3.706	9	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CC3)(NCH)(H)	C(PC[6a]2B)(CCHN)(H)2	H(CCCN)	C(CHHP)(CC3)(NCH)(H)	C(PC[6a]2B)(CCHN)(H)2	H(CCCN)	107.8440	0.000	1	107.8440	0.000	1	108.7752	3.706	9	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	H(CCCN)	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	H(CCCN)	108.1605	0.392	2	108.1605	0.154	2	108.7752	3.706	9	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(COsCH)(CHHP)(NCC)(H)	C(POsCC)(CCHN)(H)2	H(CCCN)	C(COsCH)(CHHP)(NCC)(H)	C(POsCC)(CCHN)(H)2	H(CCCN)	111.2487	0.199	3	111.2487	0.040	3	108.7752	3.706	9	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	S-4:C-4:F-1:F-1:	C-4:	C(CCHN)(CFFS)(NHS)(H)	C(SC[6a]OO)(CCHN)(F)2	H(CCCN)	C(CCHN)(CFFS)(NHS)(H)	C(SC[6a]OO)(CCHN)(F)2	H(CCCN)	107.4350	0.064	2	107.4350	0.004	2	107.4350	0.004	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	H(CCCN)	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	H(CCCN)	106.5320	0.000	1	106.5320	0.000	1	107.3875	1.464	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:N-3:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCCH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	H(CCCN)	C(CSiHH)(CCCH)(NHS)(H)	C(SiC[6a]2C)(CCHN)(H)2	H(CCCN)	108.2430	0.000	1	108.2430	0.000	1	107.3875	1.464	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OCu2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(CCHH)(CHHN)(OCu2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	109.2260	0.000	1	109.2260	0.000	1	107.9797	1.136	19	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(OAl2)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	C(CCHH)(CHHO)(OAl2)(H)	C(CCHO)(CH3)(H)2	H(CCCO)	108.6015	0.115	2	108.6015	0.013	2	107.9797	1.136	19	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OCu2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(CCHH)2(OCu2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	107.9443	0.176	4	107.9443	0.031	4	107.9797	1.136	19	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OFe2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(CCHH)2(OFe2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	106.4415	0.866	4	106.4415	0.750	4	107.9797	1.136	19	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(OMn2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	C(CCHH)2(OMn2)(H)	C(CCHO)(CHHN)(H)2	H(CCCO)	108.4553	0.800	8	108.4553	0.640	8	107.9797	1.136	19	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(OCu2)(H)	C(NCuCC)(CCHO)(H)2	H(CCCO)	C(CCHH)(CHHN)(OCu2)(H)	C(NCuCC)(CCHO)(H)2	H(CCCO)	109.2690	0.000	1	109.2690	0.000	1	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CHHN)(OFeH)(H)	C(NFeCC)(CCHO)(H)2	H(CCCO)	C(CClHH)(CHHN)(OFeH)(H)	C(NFeCC)(CCHO)(H)2	H(CCCO)	108.9370	1.082	2	108.9370	1.170	2	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CClHH)(CHHN)(ONiH)(H)	C(NNiCC)(CCHO)(H)2	H(CCCO)	C(CClHH)(CHHN)(ONiH)(H)	C(NNiCC)(CCHO)(H)2	H(CCCO)	110.3795	0.421	2	110.3795	0.177	2	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OFe2)(H)	C(NFeCC)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OFe2)(H)	C(NFeCC)(CCHO)(H)2	H(CCCO)	109.2204	0.708	24	109.2204	0.502	24	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OFe2)(H)	C(NFeCH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OFe2)(H)	C(NFeCH)(CCHO)(H)2	H(CCCO)	110.2715	0.008	2	110.2715	0.000	2	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OMn2)(H)	C(NMnCC)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OMn2)(H)	C(NMnCC)(CCHO)(H)2	H(CCCO)	108.9172	0.234	4	108.9172	0.055	4	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(ONi2)(H)	C(NNiCC)(CCHO)(H)2	H(CCCO)	C(CHHN)2(ONi2)(H)	C(NNiCC)(CCHO)(H)2	H(CCCO)	109.0613	0.708	20	109.0613	0.502	20	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OZn2)(H)	C(NZnCC)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OZn2)(H)	C(NZnCC)(CCHO)(H)2	H(CCCO)	109.3318	0.647	11	109.3318	0.419	11	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)2(OZn2)(H)	C(NZnCH)(CCHO)(H)2	H(CCCO)	C(CHHN)2(OZn2)(H)	C(NZnCH)(CCHO)(H)2	H(CCCO)	108.3800	0.000	1	108.3800	0.000	1	109.2188	0.508	67	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.2100	1.198	4	107.2100	1.435	4	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.9695	0.992	2	107.9695	0.984	2	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHS)(SZnC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)(CCHS)(SZnC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.2320	0.000	1	107.2320	0.000	1	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPd2)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPd2)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	109.4865	0.216	2	109.4865	0.047	2	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPdC)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPdC)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	108.9023	0.297	3	108.9023	0.088	3	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHS)(SFe2)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(CCHH)(CHHS)(SFe2)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	107.7025	0.144	2	107.7025	0.021	2	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(SCuC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)2(SCuC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.2612	0.894	6	107.2612	0.799	6	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(SRhC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CCHH)2(SRhC)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	109.0120	0.000	1	109.0120	0.000	1	107.8893	1.185	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPd2)(H)	C(PC[6a]2Pd)(CCHS)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPd2)(H)	C(PC[6a]2Pd)(CCHS)(H)2	H(CCCS)	109.5730	0.123	2	109.5730	0.015	2	109.1618	0.198	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:S-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(SPdC)(H)	C(PC[6a]2Pd)(CCHS)(H)2	H(CCCS)	C(CCHH)(CHHP)(SPdC)(H)	C(PC[6a]2Pd)(CCHS)(H)2	H(CCCS)	108.8877	0.328	3	108.8877	0.107	3	109.1618	0.198	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	104.4280	0.000	1	104.4280	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(CCH)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(CCHH)(NCCH)(CCH)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	105.8330	1.431	2	105.8330	2.048	2	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CNO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCHH)(CNO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.5880	0.000	1	109.5880	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCHH)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	108.4240	0.000	1	108.4240	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.5535	0.218	2	109.5535	0.048	2	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.6282	0.979	5	108.6282	0.959	5	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCHH)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	109.3960	0.000	1	109.3960	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(CNO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(CNO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.4972	0.639	18	109.4972	0.409	18	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.8121	2.196	8	109.8121	4.821	8	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(NH3)(CNO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	109.8680	0.000	1	109.8680	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	108.9750	0.133	3	108.9750	0.018	3	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.2609	1.062	55	109.2609	1.127	55	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCFH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCFH)(CCHN)(H)2	H(CCCN)	110.6335	0.194	2	110.6335	0.038	2	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.0800	1.528	98	109.0800	2.335	98	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCHP)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCHP)(H)2	H(CCCN)	108.3990	0.000	1	108.3990	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.3261	1.195	19	109.3261	1.429	19	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHO)(H)2	H(CCCN)	109.0565	0.146	2	109.0565	0.021	2	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	109.5498	1.249	31	109.5498	1.560	31	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	109.3940	0.000	1	109.3940	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CS[5]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CS[5]HH)(CCHN)(H)2	H(CCCN)	107.7970	0.000	1	107.7970	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(COO)(H)	C(CSeHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(NH3)(COO)(H)	C(CSeHH)(CCHN)(H)2	H(CCCN)	109.3930	0.000	1	109.3930	0.000	1	109.2078	1.867	254	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(NH3)(COO)(H)	C(CCHN)(PHOO)(H)2	H(CCCN)	C(CHHP)(NH3)(COO)(H)	C(CCHN)(PHOO)(H)2	H(CCCN)	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C-4:S-4:H-1:H-1:	C-4:	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SO3)(H)2	H(CCCN)	C(CHHS)(NH3)(COO)(H)	C(CCHN)(SO3)(H)2	H(CCCN)	106.6866	0.084	5	106.6866	0.007	5	106.6866	0.007	5	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]O[5]C)(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(NH3)(COO)(H)	C(C[5]C[5]O[5]C)(CCHN)(H)2	H(CCCN)	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:N-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(NRuHH)(COO)(H)	C(C[6]C[6]2Ru)(CCHN)(H)2	H(CCCN)	C(CC[6]HH)(NRuHH)(COO)(H)	C(C[6]C[6]2Ru)(CCHN)(H)2	H(CCCN)	106.9015	0.825	2	106.9015	0.681	2	106.9015	0.681	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:P-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PCOO)(NCH)(H)	C(CCCH)(CHNP)(H)2	H(CCNP)	C(CCHH)(PCOO)(NCH)(H)	C(CCCH)(CHNP)(H)2	H(CCNP)	108.3600	0.000	1	108.3600	0.000	1	107.9770	0.293	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:P-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PO3)(NCH)(H)	C(CC[6a]HH)(CHNP)(H)2	H(CCNP)	C(CCHH)(PO3)(NCH)(H)	C(CC[6a]HH)(CHNP)(H)2	H(CCNP)	107.5940	0.000	1	107.5940	0.000	1	107.9770	0.293	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[3]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C(CC[3]HN)(CCHH)(H)2	H(CC[3]CN)	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C(CC[3]HN)(CCHH)(H)2	H(CC[3]CN)	107.2463	0.586	3	107.2463	0.344	3	107.2463	0.344	3	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C(CC[5,6]HN)(CC[6a]HH)(H)2	H(CC[5,6]CN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C(CC[5,6]HN)(CC[6a]HH)(H)2	H(CC[5,6]CN)	106.1870	0.024	2	106.1870	0.001	2	106.1870	0.001	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	108.6110	0.000	1	108.6110	0.000	1	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	108.9652	0.719	5	108.9652	0.517	5	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(COO)(H)	C(CC[5]CH)2(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(COO)(H)	C(CC[5]CH)2(H)2	H(CC[5]CC)	107.6553	1.367	6	107.6553	1.868	6	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(CC[6a]HH)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(CC[6a]HH)(CC[5]CH)(H)2	H(CC[5]CC)	108.3330	0.000	1	108.3330	0.000	1	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.8270	0.000	1	107.8270	0.000	1	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	108.2125	0.736	2	108.2125	0.542	2	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	107.5060	0.321	2	107.5060	0.103	2	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	108.0430	0.000	1	108.0430	0.000	1	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.7935	0.175	2	107.7935	0.031	2	108.1236	0.916	21	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	107.6350	0.000	1	107.6350	0.000	1	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C(CC[6a]HH)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C(CC[6a]HH)(CC[5]HN)(H)2	H(CC[5]CN)	111.0190	0.000	1	111.0190	0.000	1	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CN)	107.0719	0.984	12	107.0719	0.968	12	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CN)	107.6180	0.000	1	107.6180	0.000	1	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]HN)(CCHH)(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]HN)(CCHH)(H)2	H(CC[5]CN)	107.9010	0.477	2	107.9010	0.227	2	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	109.0450	0.000	1	109.0450	0.000	1	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	H(CC[5]CN)	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(CC[5]HN)(CCCH)(H)2	H(CC[5]CN)	107.9100	0.000	1	107.9100	0.000	1	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(CC[5]HN)(CH3)(H)2	H(CC[5]CN)	107.8860	0.000	1	107.8860	0.000	1	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CC[5]HN)(CCHH)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CC[5]HN)(CCHH)(H)2	H(CC[5]CN)	107.9910	0.578	2	107.9910	0.335	2	107.6255	1.380	22	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	108.3550	0.000	1	108.3550	0.000	1	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	107.8960	0.000	1	107.8960	0.000	1	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.5150	1.730	3	107.5150	2.994	3	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CNO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CNO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	108.3407	0.598	4	108.3407	0.358	4	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(COO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(COO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	108.0200	1.411	2	108.0200	1.992	2	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	108.6470	0.000	1	108.6470	0.000	1	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	106.5750	0.233	2	106.5750	0.054	2	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	109.1830	0.000	1	109.1830	0.000	1	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	108.2530	0.000	1	108.2530	0.000	1	107.9645	1.089	16	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CCHH)(H)2	H(CC[6]CN)	107.4790	0.000	1	107.4790	0.000	1	107.6774	0.841	7	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CH3)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CC[6]HN)(CH3)(H)2	H(CC[6]CN)	107.1627	0.153	3	107.1627	0.023	3	107.6774	0.841	7	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6]HN)(CHHS)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6]HN)(CHHS)(H)2	H(CC[6]CN)	108.8650	0.972	2	108.8650	0.944	2	107.6774	0.841	7	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6]HN)(H)2	H(CC[6]CN)	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(CC[6a]HH)(CC[6]HN)(H)2	H(CC[6]CN)	107.0450	0.000	1	107.0450	0.000	1	107.6774	0.841	7	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NCoCC)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	106.9180	0.000	1	106.9180	0.000	1	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NCoHH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.2976	0.872	5	107.2976	0.761	5	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NCoHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.3670	1.300	2	108.3670	1.689	2	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NCuCH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	108.4180	0.339	6	108.4180	0.115	6	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.3730	2.420	12	106.3730	5.855	12	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NCuHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	107.8451	0.638	7	107.8451	0.407	7	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(CNO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NNiCC)(CCHH)(CNO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	107.6495	2.112	2	107.6495	4.461	2	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NNiCH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.5230	0.235	3	108.5230	0.055	3	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NNiCH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	108.9745	0.370	4	108.9745	0.137	4	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NNiHH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	106.7450	0.763	3	106.7450	0.583	3	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NNiHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	103.0730	0.000	1	103.0730	0.000	1	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPtHH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NPtHH)(CCHH)(COO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.0733	1.496	6	108.0733	2.237	6	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPtHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NPtHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	107.5200	0.775	2	107.5200	0.601	2	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NReHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NReHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	108.9383	0.945	3	108.9383	0.893	3	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NRuHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.0990	0.000	1	108.0990	0.000	1	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CCHH)(COO)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NRuHH)(CCHH)(COO)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	110.1980	0.000	1	110.1980	0.000	1	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	C(NRuHH)(CCHH)(COO)(H)	C(CCHN)(CHHS)(H)2	H(CCCN)	109.0970	0.048	2	109.0970	0.002	2	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NZnHH)(CCHH)(COO)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.4350	2.127	2	107.4350	4.524	2	107.6789	2.769	63	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	P-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]2Au)(CCHH)(CHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	C(PC[6]2Au)(CCHH)(CHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	101.1530	0.000	1	101.1530	0.000	1	101.1530	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	P-4:C-4:C-3:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(CFeC)(H)	C(PC[6a]2Fe)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Fe)(CHHP)(CFeC)(H)	C(PC[6a]2Fe)(CCHP)(H)2	H(CCCP)	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	P-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCCH)(CHNP)(H)2	H(CCNP)	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCCH)(CHNP)(H)2	H(CCNP)	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	107.0860	0.000	1	107.0860	0.000	1	108.0102	0.840	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCHS)(H)2	H(CCCS)	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCHS)(H)2	H(CCCS)	107.3860	0.000	1	107.3860	0.000	1	108.0102	0.840	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	107.7855	0.798	2	107.7855	0.637	2	108.0102	0.840	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(CNO)(H)	C(CCHS)(CHHS)(H)2	H(CCCS)	C(SC[6a]OO)(CCHH)(CNO)(H)	C(CCHS)(CHHS)(H)2	H(CCCS)	109.3440	0.000	1	109.3440	0.000	1	108.0102	0.840	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SN[6]OO)(CCHH)(CCH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(SN[6]OO)(CCHH)(CCH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	108.6740	0.000	1	108.6740	0.000	1	108.0102	0.840	6	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:1:1:	4:	Si-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiCCO)(CCHH)(NCH)(H)	C(CSiHN)(CCHH)(H)2	H(CSiCN)	C(SiCCO)(CCHH)(NCH)(H)	C(CSiHN)(CCHH)(H)2	H(CSiCN)	104.8215	0.779	2	104.8215	0.606	2	104.8215	0.606	2	108.1954	2.564	1090	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NC)(H)	H(CC3)	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NC)(H)	H(CC3)	107.6290	0.000	1	107.6290	0.000	1	107.6720	0.004	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CHHS)(CCH)(H)	C(CCCH)(CCHH)(NN)(H)	H(CC3)	C(CCHN)(CHHS)(CCH)(H)	C(CCCH)(CCHH)(NN)(H)	H(CC3)	107.7150	0.000	1	107.7150	0.000	1	107.6720	0.004	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	104.1230	0.000	1	104.1230	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)2(OH)(H)	H(CC3)	106.5410	0.000	1	106.5410	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	109.3660	0.000	1	109.3660	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	108.9387	1.224	3	108.9387	1.498	3	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CHHO)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CHHO)(OC)(H)	H(CC3)	107.4790	0.000	1	107.4790	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.9510	0.387	4	107.9510	0.150	4	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCHS)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CCHO)(CCHS)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	105.6120	0.000	1	105.6120	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	106.1430	0.000	1	106.1430	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CHHO)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CHHO)(OC)(H)	H(CC3)	105.0590	0.000	1	105.0590	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCC)(H)	C(CCCH)2(OH)(H)	H(CC3)	107.4390	0.000	1	107.4390	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCC)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	H(CC3)	C(CCHO)(CH3)(CCC)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	H(CC3)	106.6780	0.000	1	106.6780	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	107.7535	1.267	4	107.7535	1.606	4	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.9890	0.000	1	107.9890	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	107.1595	0.006	2	107.1595	0.000	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	108.3042	0.615	5	108.3042	0.378	5	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CH3)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CH3)(OC)(H)	H(CC3)	106.9590	0.000	1	106.9590	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CHHO)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CHHO)(OC)(H)	H(CC3)	107.1710	0.332	2	107.1710	0.110	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OC)(H)	H(CC3)	108.7570	0.000	1	108.7570	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OH)(H)	H(CC3)	108.0119	0.643	14	108.0119	0.414	14	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OSi)(H)	H(CC3)	106.8530	0.000	1	106.8530	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OC)(H)	H(CC3)	108.2800	0.000	1	108.2800	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OH)(H)	H(CC3)	107.5875	0.504	2	107.5875	0.254	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC3)	102.9150	0.000	1	102.9150	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCH)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCH)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	H(CC3)	108.3920	0.000	1	108.3920	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCCO)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCCO)(OH)(H)	H(CC3)	108.2060	0.000	1	108.2060	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	106.4256	2.057	5	106.4256	4.231	5	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.4700	0.161	3	107.4700	0.026	3	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OC)(H)	H(CC3)	108.7995	0.139	2	108.7995	0.019	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	108.9235	0.081	2	108.9235	0.007	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	107.9870	0.000	1	107.9870	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OC)(H)	H(CC3)	108.5510	0.000	1	108.5510	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OH)(H)	H(CC3)	109.1467	0.752	10	109.1467	0.566	10	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC3)	107.6600	0.000	1	107.6600	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCO)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCO)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC3)	108.6625	0.438	2	108.6625	0.192	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCS)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	106.3510	0.000	1	106.3510	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OC)(H)	H(CC3)	106.1160	0.000	1	106.1160	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OH)(H)	H(CC3)	106.0048	0.604	4	106.0048	0.364	4	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OSi)(H)	H(CC3)	105.7310	0.433	3	105.7310	0.187	3	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CNO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CNO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	109.2070	0.000	1	109.2070	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(CNO)(H)	C(CN[5]HH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(CNO)(H)	C(CN[5]HH)(CCCH)(OH)(H)	H(CC3)	109.6130	0.000	1	109.6130	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	108.3530	0.000	1	108.3530	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.8710	0.000	1	107.8710	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OC)(H)	H(CC3)	107.9220	0.689	3	107.9220	0.475	3	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	108.8100	0.000	1	108.8100	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(COO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)(COO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	H(CC3)	107.6260	0.000	1	107.6260	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	108.5400	0.000	1	108.5400	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OS)(H)	H(CC3)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OS)(H)	H(CC3)	108.0035	0.151	2	108.0035	0.023	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	107.8450	0.000	1	107.8450	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HN)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CC[6a]HN)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	108.8690	0.013	2	108.8690	0.000	2	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HS)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CC[6a]HS)(CCHO)(CNO)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	105.3310	0.000	1	105.3310	0.000	1	107.7267	1.821	105	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	H(CC3)	105.8710	0.000	1	105.8710	0.000	1	106.9838	0.614	4	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CHHO)(CCO)(H)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CHHO)(CCO)(H)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	H(CC3)	107.5560	0.000	1	107.5560	0.000	1	106.9838	0.614	4	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CHHS)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	H(CC3)	C(CC[3]HO)(CHHS)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	H(CC3)	107.2540	0.361	2	107.2540	0.130	2	106.9838	0.614	4	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(CCC)(H)	C(C[5]C[5]2C)(CCCH)(OH)(H)	H(CC3)	C(CC[5]HO)(CCHH)(CCC)(H)	C(C[5]C[5]2C)(CCCH)(OH)(H)	H(CC3)	106.9480	0.000	1	106.9480	0.000	1	107.5374	0.751	11	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CF3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	H(CC3)	C(CC[5]HO)(CF3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	H(CC3)	106.6080	0.000	1	106.6080	0.000	1	107.5374	0.751	11	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(CCH)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	H(CC3)	C(CC[5]HO)(CH3)(CCH)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	H(CC3)	107.6082	0.874	8	107.6082	0.764	8	107.5374	0.751	11	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)(CNO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	H(CC3)	C(CC[5]HO)(CH3)(CNO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	H(CC3)	108.4890	0.000	1	108.4890	0.000	1	107.5374	0.751	11	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCCH)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	H(CC3)	C(CC[6]HO)(CCCH)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	H(CC3)	105.6300	0.000	1	105.6300	0.000	1	107.3099	1.032	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(CC3)	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(CC3)	107.9460	0.000	1	107.9460	0.000	1	107.3099	1.032	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	H(CC3)	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	H(CC3)	107.2950	0.000	1	107.2950	0.000	1	107.3099	1.032	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	107.2283	0.826	4	107.2283	0.683	4	107.3099	1.032	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	108.6950	0.000	1	108.6950	0.000	1	107.3099	1.032	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-2:H-1:	C-4:	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(CN)(H)	H(CCCN)	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(CN)(H)	H(CCCN)	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OC)(H)	H(CCCN)	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OC)(H)	H(CCCN)	105.4960	0.000	1	105.4960	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	H(CCCN)	107.4170	0.000	1	107.4170	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	106.6987	1.277	3	106.6987	1.631	3	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	107.0130	0.000	1	107.0130	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	H(CCCN)	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	H(CCCN)	107.2810	0.000	1	107.2810	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCFH)(CCHN)(OH)(H)	H(CCCN)	C(CCHH)(CCHO)(NCC)(H)	C(CCFH)(CCHN)(OH)(H)	H(CCCN)	107.2500	0.000	1	107.2500	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	107.5767	0.974	3	107.5767	0.948	3	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OC)(H)	H(CCCN)	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OC)(H)	H(CCCN)	107.8110	0.000	1	107.8110	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CC3)(OH)(H)	H(CCCN)	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CC3)(OH)(H)	H(CCCN)	108.9850	0.000	1	108.9850	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCN)	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCN)	107.9630	0.000	1	107.9630	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	107.6740	0.250	2	107.6740	0.063	2	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	H(CCCN)	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	H(CCCN)	105.3360	0.000	1	105.3360	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(NCC)(H)	C(CSeCC)(CCHN)(OH)(H)	H(CCCN)	C(CCHO)(CH3)(NCC)(H)	C(CSeCC)(CCHN)(OH)(H)	H(CCCN)	106.6420	0.000	1	106.6420	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)(NHS)(H)	C(CCHH)(CCHN)(OC)(H)	H(CCCN)	C(CCHO)(CH3)(NHS)(H)	C(CCHH)(CCHN)(OC)(H)	H(CCCN)	108.4500	0.000	1	108.4500	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	H(CCCN)	C(CCHO)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	H(CCCN)	107.6360	0.000	1	107.6360	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCN)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(OC)(H)	H(CCCN)	105.3330	0.000	1	105.3330	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	107.9260	0.000	1	107.9260	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	108.8640	0.000	1	108.8640	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CHHO)(OH)(H)	H(CCCN)	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CHHO)(OH)(H)	H(CCCN)	108.2850	0.000	1	108.2850	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)2(OH)(H)	H(CCCN)	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)2(OH)(H)	H(CCCN)	108.9390	0.000	1	108.9390	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	105.7130	0.000	1	105.7130	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	106.0270	0.000	1	106.0270	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	H(CCCN)	105.4370	0.000	1	105.4370	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	H(CCCN)	108.2510	0.000	1	108.2510	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	108.2906	0.252	5	108.2906	0.063	5	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHN)(OH)(H)	H(CCCN)	108.2853	0.109	3	108.2853	0.012	3	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHS)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CHHS)(OH)(H)	H(CCCN)	108.6390	0.000	1	108.6390	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)2(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)2(OH)(H)	H(CCCN)	109.3840	0.000	1	109.3840	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OC)(H)	H(CCCN)	107.2125	0.217	2	107.2125	0.047	2	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CN[6]HH)(CCHN)(OH)(H)	H(CCCN)	108.5125	0.315	2	108.5125	0.099	2	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHH)(CCHN)(OH)(H)	H(CCCN)	107.2385	0.613	2	107.2385	0.376	2	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	107.1465	1.112	2	107.1465	1.237	2	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CHHS)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CHHS)(OH)(H)	H(CCCN)	108.1440	0.000	1	108.1440	0.000	1	107.5609	1.165	48	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCCH)(CCHS)(NCH)(H)	C(CCHH)(CCHN)(SC)(H)	H(CCCN)	C(CCCH)(CCHS)(NCH)(H)	C(CCHH)(CCHN)(SC)(H)	H(CCCN)	106.5540	0.000	1	106.5540	0.000	1	106.8664	0.241	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(SS)(H)	H(CCCN)	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(SS)(H)	H(CCCN)	106.5835	0.398	4	106.5835	0.158	4	106.8664	0.241	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	C-4:	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	H(CCCN)	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	H(CCCN)	107.3477	0.222	3	107.3477	0.049	3	106.8664	0.241	8	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C-4:P-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CHOP)(NCC)(H)	C(CCHN)(PO3)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CHOP)(NCC)(H)	C(CCHN)(PO3)(OH)(H)	H(CCCN)	106.2200	0.000	1	106.2200	0.000	1	106.2200	0.000	1	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	H(CCCN)	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	H(CCCN)	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(CCCN)	C(CC[5]HO)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	H(CCCN)	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	H(CCCN)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	H(CCCN)	108.3340	0.000	1	108.3340	0.000	1	107.9935	0.232	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	H(CCCN)	107.6530	0.000	1	107.6530	0.000	1	107.9935	0.232	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:C-4:O-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(CHHO)(OC)(H)	H(CCCO)	105.8630	0.571	2	105.8630	0.326	2	105.8630	0.326	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NCHH)(CCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	C(CCHO)(NCHH)(CCH)(H)	C(CCHN)(CCHO)(OH)(H)	H(CCCN)	106.6860	0.000	1	106.6860	0.000	1	108.8252	0.588	33	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(CNO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(CCHO)(NH3)(CNO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	109.4030	0.000	1	109.4030	0.000	1	108.8252	0.588	33	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	108.8703	0.711	28	108.8703	0.505	28	108.8252	0.588	33	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OP)(H)	H(CCCN)	C(CCHO)(NH3)(COO)(H)	C(CCHN)(CH3)(OP)(H)	H(CCCN)	109.1000	0.095	2	109.1000	0.009	2	108.8252	0.588	33	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(NH3)(COO)(H)	C(CC[6]HH)(CCHN)(OC)(H)	H(CCCN)	C(CCHO)(NH3)(COO)(H)	C(CC[6]HH)(CCHN)(OC)(H)	H(CCCN)	108.5740	0.000	1	108.5740	0.000	1	108.8252	0.588	33	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	H(CC[5]CN)	106.8270	0.202	2	106.8270	0.041	2	106.8270	0.041	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CCHO)(CCH)(H)	C(CC[6]CH)(CCCH)(OC)(H)	H(CC[6]CC)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	C(CC[6]CH)(CCCH)(OC)(H)	H(CC[6]CC)	106.8770	0.000	1	106.8770	0.000	1	107.6270	1.125	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	C(CC[6]CH)(CHHO)(OH)(H)	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	C(CC[6]CH)(CHHO)(OH)(H)	H(CC[6]CC)	108.3770	0.000	1	108.3770	0.000	1	107.6270	1.125	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(NCuHH)(CCHO)(COO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	C(NCuHH)(CCHO)(COO)(H)	C(CCHN)(CH3)(OH)(H)	H(CCCN)	107.0770	0.242	2	107.0770	0.058	2	107.0770	0.058	2	107.7529	1.494	233	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:2:2:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-2:O-2:	C-4:	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	H(CCCN)	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	H(CCCN)	106.5000	0.099	2	106.5000	0.010	2	106.5000	0.010	2	106.5000	0.010	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CB[5]HH)(CCCH)(CHO)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	C(CB[5]HH)(CCCH)(CHO)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	107.1040	0.000	1	107.1040	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CC3)(COO)(H)	H(CC3)	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CC3)(COO)(H)	H(CC3)	104.4105	0.339	6	104.4105	0.115	6	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	H(CC3)	107.8468	1.540	13	107.8468	2.372	13	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHN)(COO)(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	H(CC3)	C(CCCH)(CCHN)(COO)(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	H(CC3)	108.1060	0.000	1	108.1060	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(CCHO)(CCH)(H)	H(CC3)	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(CCHO)(CCH)(H)	H(CC3)	107.7410	1.082	2	107.7410	1.170	2	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(CCH)(H)	C(CB[5]HH)(CCCH)(CHO)(H)	H(CC3)	C(CCCH)(CH3)(CCH)(H)	C(CB[5]HH)(CCCH)(CHO)(H)	H(CC3)	108.0280	0.000	1	108.0280	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	107.2075	1.337	4	107.2075	1.788	4	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNO)(H)	H(CC3)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNO)(H)	H(CC3)	108.8525	0.093	2	108.8525	0.009	2	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNS)(H)	H(CC3)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNS)(H)	H(CC3)	105.6030	0.000	1	105.6030	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC3)	C(CCCH)(CH3)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC3)	106.9940	0.000	1	106.9940	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	109.2415	3.253	2	109.2415	10.585	2	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	96.4979	0.000	1	96.4979	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CCH)(H)	C(CCCH)(CCHN)(COO)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CCH)(H)	C(CCCH)(CCHN)(COO)(H)	H(CC3)	106.3030	0.000	1	106.3030	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	106.7920	0.000	1	106.7920	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CN[5]HH)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CN[5]HH)(CCCH)(CCH)(H)	H(CC3)	108.8840	0.000	1	108.8840	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CN[5]HH)(CCCH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC3)	C(CN[5]HH)(CCCH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC3)	108.3640	0.000	1	108.3640	0.000	1	106.9653	6.167	39	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NCH)(H)	H(CC3)	106.5760	0.000	1	106.5760	0.000	1	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	H(CC3)	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	H(CC3)	109.6750	0.000	1	109.6750	0.000	1	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(COO)(H)	C(CCCH)(CCHH)(NCC)(H)	H(CC3)	C(CCHN)(CCHO)(COO)(H)	C(CCCH)(CCHH)(NCC)(H)	H(CC3)	108.4320	0.024	2	108.4320	0.001	2	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	H(CC3)	C(CCHN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	H(CC3)	109.3350	0.000	1	109.3350	0.000	1	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NCH)(H)	H(CC3)	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NCH)(H)	H(CC3)	107.6590	0.000	1	107.6590	0.000	1	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(COO)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	H(CC3)	C(CCHN)(CH3)(COO)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	H(CC3)	104.9740	0.342	2	104.9740	0.117	2	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHS)(COO)(H)	C(CCCH)2(NHS)(H)	H(CC3)	C(CCHN)(CHHS)(COO)(H)	C(CCCH)2(NHS)(H)	H(CC3)	109.2870	0.000	1	109.2870	0.000	1	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(COO)(H)	C(CSiHH)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HH)(CCHN)(COO)(H)	C(CSiHH)(CCCH)(NHS)(H)	H(CC3)	106.8290	0.000	1	106.8290	0.000	1	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HO)(CCHN)(COO)(H)	C(CCCH)2(NCC)(H)	H(CC3)	C(CC[6a]HO)(CCHN)(COO)(H)	C(CCCH)2(NCC)(H)	H(CC3)	108.0825	1.224	2	108.0825	1.498	2	107.6948	2.633	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCCH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(CC3)	C(CC[5]CH)(CCCH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(CC3)	107.0410	0.000	1	107.0410	0.000	1	107.2180	0.030	3	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CCHH)(CCO)(H)	C(C[5]C[5]2C)(CCCH)(CCH)(H)	H(CC3)	C(CC[5]CH)(CCHH)(CCO)(H)	C(C[5]C[5]2C)(CCCH)(CCH)(H)	H(CC3)	107.3065	0.112	2	107.3065	0.013	2	107.2180	0.030	3	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(NCC)(H)	C(CCHN)(CCHO)(COO)(H)	H(CCCN)	C(CCCH)(CCHH)(NCC)(H)	C(CCHN)(CCHO)(COO)(H)	H(CCCN)	106.8135	2.306	2	106.8135	5.317	2	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(CNO)(H)	H(CCCN)	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(CNO)(H)	H(CCCN)	106.6550	0.000	1	106.6550	0.000	1	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(CNO)(H)	H(CCCN)	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(CNO)(H)	H(CCCN)	108.6630	0.000	1	108.6630	0.000	1	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(CNO)(H)	H(CCCN)	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(CNO)(H)	H(CCCN)	109.5900	0.000	1	109.5900	0.000	1	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(NCC)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	H(CCCN)	C(CCCH)2(NCC)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	H(CCCN)	104.6430	0.359	2	104.6430	0.129	2	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)(COO)(H)	H(CCCN)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)(COO)(H)	H(CCCN)	107.1390	0.000	1	107.1390	0.000	1	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)2(NHS)(H)	C(CCHN)(CHHS)(COO)(H)	H(CCCN)	C(CCCH)2(NHS)(H)	C(CCHN)(CHHS)(COO)(H)	H(CCCN)	106.8590	0.000	1	106.8590	0.000	1	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HO)(CCCH)(NCC)(H)	C(CCHN)(CH3)(COO)(H)	H(CCCN)	C(CC[6a]HO)(CCCH)(NCC)(H)	C(CCHN)(CH3)(COO)(H)	H(CCCN)	106.1615	0.598	2	106.1615	0.357	2	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CSiHH)(CCCH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(H)	H(CCCN)	C(CSiHH)(CCCH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(H)	H(CCCN)	108.2270	0.000	1	108.2270	0.000	1	106.8641	2.664	12	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(NFeC)(H)	C(CCCH)(CCHN)(NFeC)(H)	H(CCCN)	C(CCCH)(CCHN)(NFeC)(H)	C(CCCH)(CCHN)(NFeC)(H)	H(CCCN)	108.0190	0.461	2	108.0190	0.213	2	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	H(CCCN)	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	H(CCCN)	104.5530	0.006	2	104.5530	0.000	2	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(NCC)(H)	H(CCCN)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(NCC)(H)	H(CCCN)	108.6530	0.000	1	108.6530	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	H(CCCN)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	H(CCCN)	105.3260	0.000	1	105.3260	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CCHN)(NOO)(H)	H(CCCN)	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CCHN)(NOO)(H)	H(CCCN)	107.7910	0.000	1	107.7910	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(NOO)(H)	C(CCHH)(CCHN)(NCH)(H)	H(CCCN)	C(CCHH)(CCHN)(NOO)(H)	C(CCHH)(CCHN)(NCH)(H)	H(CCCN)	107.5290	0.000	1	107.5290	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	H(CCCN)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	H(CCCN)	106.7030	0.124	3	106.7030	0.015	3	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	H(CCCN)	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	H(CCCN)	104.5450	0.000	1	104.5450	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CFFS)(NHS)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	H(CCCN)	C(CCHN)(CFFS)(NHS)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	H(CCCN)	107.4655	0.138	2	107.4655	0.019	2	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	H(CCCN)	C(CCHN)(CH3)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	H(CCCN)	107.2950	0.000	1	107.2950	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(CH3)(NCO)(H)	H(CCCN)	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(CH3)(NCO)(H)	H(CCCN)	107.7610	0.000	1	107.7610	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(CH3)(NCH)(H)	H(CCCN)	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(CH3)(NCH)(H)	H(CCCN)	107.4230	0.000	1	107.4230	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(CHHN)(NHN)(H)	H(CCCN)	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(CHHN)(NHN)(H)	H(CCCN)	109.0220	0.000	1	109.0220	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	H(CCCN)	C(CCHN)(CHHO)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	H(CCCN)	107.6230	0.000	1	107.6230	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(NCC)(H)	H(CCCN)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(NCC)(H)	H(CCCN)	102.2990	0.000	1	102.2990	0.000	1	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHN)(CFFS)(NHS)(H)	H(CCCN)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHN)(CFFS)(NHS)(H)	H(CCCN)	105.0140	2.731	2	105.0140	7.458	2	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CFeCH)(CCHN)(NFeN)(H)	C(CFeCH)(CCHN)(NFeN)(H)	H(CCCN)	C(CFeCH)(CCHN)(NFeN)(H)	C(CFeCH)(CCHN)(NFeN)(H)	H(CCCN)	106.3955	0.780	2	106.3955	0.608	2	106.5946	2.941	24	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	H(CCCN)	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	H(CCCN)	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(SAlC)(H)	H(CCCS)	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(SAlC)(H)	H(CCCS)	107.2255	1.211	4	107.2255	1.466	4	107.4632	1.188	6	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(STiC)(H)	H(CCCS)	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(STiC)(H)	H(CCCS)	107.9385	0.928	2	107.9385	0.862	2	107.4632	1.188	6	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C[5]-4:C[6a]-3:H-1:	C-4:C[5]-4:C[6a]-3:H-1:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Cr)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	107.0538	0.778	4	107.0538	0.605	4	105.4274	3.250	14	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C[5]-4:C[6a]-3:H-1:	C-4:C[5]-4:C[6a]-3:H-1:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Ru)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	105.0838	1.720	8	105.0838	2.959	8	105.4274	3.250	14	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C-4:C[5]-4:C[6a]-3:H-1:	C-4:C[5]-4:C[6a]-3:H-1:	C-4:	C(CC[6a]C[5]H)(C[5]C[5]2Zr)(C[6a]C[6a]2)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Zr)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(C[5]C[5]2Zr)(C[6a]C[6a]2)(H)	C(CC[6a]C[5]H)(C[5]C[5]2Zr)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	103.5495	1.066	2	103.5495	1.136	2	105.4274	3.250	14	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C(CC[5]CH)(CCHH)(CCO)(H)	H(CC[5]CC)	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C(CC[5]CH)(CCHH)(CCO)(H)	H(CC[5]CC)	107.1975	0.021	2	107.1975	0.000	2	107.1417	0.010	3	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CC[5]CH)(CCCH)(CCC)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CC[5]CH)(CCCH)(CCC)(H)	H(CC[5]CC)	107.0300	0.000	1	107.0300	0.000	1	107.1417	0.010	3	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2Hf)(CC[5]CH)(CCH)(H)	C(C[5]C[5]2Hf)(CC[5]CH)(CCH)(H)	H(CC[5]CC)	C(C[5]C[5]2Hf)(CC[5]CH)(CCH)(H)	C(C[5]C[5]2Hf)(CC[5]CH)(CCH)(H)	H(CC[5]CC)	107.2015	0.162	2	107.2015	0.026	2	107.1238	0.034	4	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2Zr)(CC[5]CH)(CCH)(H)	C(C[5]C[5]2Zr)(CC[5]CH)(CCH)(H)	H(CC[5]CC)	C(C[5]C[5]2Zr)(CC[5]CH)(CCH)(H)	C(C[5]C[5]2Zr)(CC[5]CH)(CCH)(H)	H(CC[5]CC)	107.0460	0.225	2	107.0460	0.051	2	107.1238	0.034	4	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C-4:C[6a]-3:H-1:	C[5]-4:C-4:C[6a]-3:H-1:	C-4:	C(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	C(C[5]C[5]P[5]Mn)(CC[6a]C[5]H)(C[6a]C[6a]2)(H)	H(CC[6a]C[5]C)	106.5053	1.074	4	106.5053	1.154	4	106.5053	1.154	4	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	H(CC[5]CN)	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	C[6]-4:C-4:N-3:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	H(CC[6]CN)	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	C(C[6]C[6]2H)(CC[6]HN)(NHS)(H)	H(CC[6]CN)	107.6160	0.000	1	107.6160	0.000	1	107.6160	0.000	1	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	N-4:C-4:C-3:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(NC[6a]PdH)(CCHP)(COO)(H)	C(PC[6a]2Pd)(CCHN)(COO)(H)	H(CCCN)	C(NC[6a]PdH)(CCHP)(COO)(H)	C(PC[6a]2Pd)(CCHN)(COO)(H)	H(CCCN)	108.4030	0.753	3	108.4030	0.568	3	108.1565	0.621	4	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	N-4:C-4:C-3:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(NPdCC)(CCHP)(COO)(H)	C(PC[6a]2Pd)(CCHN)(COO)(H)	H(CCCN)	C(NPdCC)(CCHP)(COO)(H)	C(PC[6a]2Pd)(CCHN)(COO)(H)	H(CCCN)	107.4170	0.000	1	107.4170	0.000	1	108.1565	0.621	4	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	P-4:C-4:C-3:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(PC[6a]2Pd)(CCHN)(COO)(H)	C(NC[6a]PdH)(CCHP)(COO)(H)	H(CCCP)	C(PC[6a]2Pd)(CCHN)(COO)(H)	C(NC[6a]PdH)(CCHP)(COO)(H)	H(CCCP)	108.4213	1.332	3	108.4213	1.775	3	108.6052	1.318	4	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:1:	4:	P-4:C-4:C-3:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(PC[6a]2Pd)(CCHN)(COO)(H)	C(NPdCC)(CCHP)(COO)(H)	H(CCCP)	C(PC[6a]2Pd)(CCHN)(COO)(H)	C(NPdCC)(CCHP)(COO)(H)	H(CCCP)	109.1570	0.000	1	109.1570	0.000	1	108.6052	1.318	4	106.9232	3.685	132	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CH3)(COO)(NH)	H(CC3)	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CH3)(COO)(NH)	H(CC3)	108.3410	0.000	1	108.3410	0.000	1	108.3410	0.000	1	107.0415	3.289	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(OH)	H(CC3)	C(CCCO)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(OH)	H(CC3)	104.6340	0.000	1	104.6340	0.000	1	105.6445	2.042	2	107.0415	3.289	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCO)(OH)	H(CC3)	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCO)(OH)	H(CC3)	106.6550	0.000	1	106.6550	0.000	1	105.6445	2.042	2	107.0415	3.289	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:2:	4:	C-4:C-4:C-3:H-1:	C-4:Si-4:C-3:O-2:	C-4:	C(CSiCO)(CH3)(CCH)(H)	C(CCCH)(SiC3)(COO)(OH)	H(CC3)	C(CSiCO)(CH3)(CCH)(H)	C(CCCH)(SiC3)(COO)(OH)	H(CC3)	108.5360	0.000	1	108.5360	0.000	1	108.5360	0.000	1	107.0415	3.289	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:3:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	H(CC3)	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	H(CC3)	107.4140	0.000	1	107.4140	0.000	1	107.7135	0.041	4	107.4823	0.160	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:3:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CHHO)(COO)(NHH)	H(CC3)	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CHHO)(COO)(NHH)	H(CC3)	107.8280	0.049	2	107.8280	0.002	2	107.7135	0.041	4	107.4823	0.160	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:3:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(COO)(NCH)	H(CC3)	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(COO)(NCH)	H(CC3)	107.7840	0.000	1	107.7840	0.000	1	107.7135	0.041	4	107.4823	0.160	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:3:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	H(CCCN)	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	H(CCCN)	107.0200	0.188	2	107.0200	0.035	2	107.0200	0.035	2	107.4823	0.160	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:B-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(BCC)(H)	C(CSiHH)(CBCH)(CCHH)(H)	H(CBCC)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(CSiHH)(CBCH)(CCHH)(H)	H(CBCC)	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)2(H)	H(CC3)	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)2(H)	H(CC3)	106.4910	0.315	2	106.4910	0.099	2	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(CH3)(H)	H(CC3)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(CH3)(H)	H(CC3)	108.7410	0.000	1	108.7410	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.8605	0.460	6	107.8605	0.211	6	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.0430	0.000	1	107.0430	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.4530	0.598	2	107.4530	0.358	2	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(CH3)2(H)	H(CC3)	99.9314	0.000	1	99.9314	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.4110	0.000	1	106.4110	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(CCC)(H)	C(CC[5]HH)(CCCH)(CH3)(H)	H(CC3)	C(CCCH)(CCHO)(CCC)(H)	C(CC[5]HH)(CCCH)(CH3)(H)	H(CC3)	104.1660	0.000	1	104.1660	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.5510	0.000	1	106.5510	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(CCCO)(CH3)(H)	H(CC3)	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(CCCO)(CH3)(H)	H(CC3)	108.4910	0.922	2	108.4910	0.850	2	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.7792	0.896	23	107.7792	0.802	23	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(CCN)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	H(CC3)	C(CCCH)(CH3)(CCN)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	H(CC3)	112.5850	0.000	1	112.5850	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(CH3)(H)	H(CC3)	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(CH3)(H)	H(CC3)	105.8760	0.000	1	105.8760	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(COO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CH3)(COO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	109.9550	0.000	1	109.9550	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	107.7970	0.000	1	107.7970	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(CHN)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)2(CHN)(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.0620	0.000	1	106.0620	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.5290	0.000	1	107.5290	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CCCH)(CCC)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[5]CH)(CCCH)(CCC)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.0160	0.000	1	107.0160	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6]HO)(CCCH)(CCH)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	H(CC3)	C(CC[6]HO)(CCCH)(CCH)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	H(CC3)	106.3440	0.000	1	106.3440	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CC[6a]HH)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CC[6a]HH)(CCCH)(CCHH)(H)	H(CC3)	109.2350	0.000	1	109.2350	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HN)(CCCH)(CHO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[6a]HN)(CCCH)(CHO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	109.8760	0.000	1	109.8760	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CCH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CCH)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	106.5540	0.000	1	106.5540	0.000	1	107.5505	2.872	52	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHH)(CCHN)(COO)(H)	C(CCCH)(CCHH)(NH3)(H)	H(CC3)	C(CCHH)(CCHN)(COO)(H)	C(CCCH)(CCHH)(NH3)(H)	H(CC3)	107.2465	0.562	2	107.2465	0.316	2	107.2465	0.316	2	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	H(CC3)	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	H(CC3)	106.9760	0.000	1	106.9760	0.000	1	106.9760	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	H(CC3)	C(CC[5]CH)(CH3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	H(CC3)	106.6090	0.115	2	106.6090	0.013	2	106.6090	0.013	2	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)(COO)(H)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	H(CC3)	C(CC[6]CH)(CH3)(COO)(H)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	H(CC3)	105.6070	0.000	1	105.6070	0.000	1	105.6070	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:Cl-1:	C-4:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(CH3)2(Cl)	H(CCCN)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(CH3)2(Cl)	H(CCCN)	107.4578	0.118	4	107.4578	0.014	4	107.4578	0.014	4	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.3280	0.000	1	108.3280	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.0815	0.227	2	106.0815	0.052	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCCO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCCO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.4495	0.067	2	106.4495	0.005	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(CCHN)(H)	H(CCCN)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(CCHN)(H)	H(CCCN)	107.1550	0.000	1	107.1550	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.0879	1.014	20	108.0879	1.029	20	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCHH)(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.6830	1.724	2	106.6830	2.972	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(CF3)(H)	H(CCCN)	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(CF3)(H)	H(CCCN)	107.2380	0.000	1	107.2380	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHN)(NFeC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCHN)(NFeC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.9765	0.497	2	107.9765	0.247	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	106.4710	1.636	2	106.4710	2.677	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.4363	2.155	3	108.4363	4.644	3	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHS)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCHS)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.0030	0.526	2	107.0030	0.277	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.5240	0.439	4	106.5240	0.193	4	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(CCHN)(CH3)(H)	H(CCCN)	107.9000	0.000	1	107.9000	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.6380	0.443	3	107.6380	0.196	3	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CH3)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	H(CCCN)	107.4280	0.000	1	107.4280	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.4655	0.255	2	107.4655	0.065	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.3350	0.605	2	108.3350	0.366	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.3155	0.933	8	107.3155	0.870	8	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.2437	0.506	3	107.2437	0.256	3	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.5360	0.025	2	107.5360	0.001	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.5571	0.808	10	107.5571	0.653	10	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	109.0930	0.000	1	109.0930	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NFeC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NFeC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.1000	0.000	1	107.1000	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.0640	0.000	1	107.0640	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.9140	0.000	1	107.9140	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NNiC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NNiC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.9183	0.453	3	106.9183	0.205	3	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.3895	0.350	4	107.3895	0.123	4	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHP)(NFeC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHP)(NFeC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.1520	0.298	2	107.1520	0.089	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)2(NCC)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	105.2295	1.050	2	105.2295	1.103	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	107.6150	0.000	1	107.6150	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	H(CCCN)	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	H(CCCN)	106.9491	0.471	14	106.9491	0.222	14	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.7837	0.422	19	106.7837	0.178	19	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)2(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	H(CCCN)	106.7767	0.439	4	106.7767	0.193	4	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NCO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)2(NCO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	105.1330	0.000	1	105.1330	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)2(NCO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	105.2050	0.000	1	105.2050	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)2(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.9380	0.000	1	106.9380	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(NOO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)2(NOO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.9380	0.000	1	107.9380	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[5]HH)(CCCH)(NTiS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CC[5]HH)(CCCH)(NTiS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.2570	0.000	1	108.2570	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(NHN)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CC[6a]CH)(CCCH)(NHN)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.5400	0.000	1	108.5400	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	H(CCCN)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	H(CCCN)	106.9830	0.000	1	106.9830	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HN)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CC[6a]HN)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.5460	0.000	1	106.5460	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CC[6a]HO)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.4430	0.451	2	107.4430	0.204	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.3770	0.000	1	107.3770	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.1040	0.000	1	107.1040	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CN[6]HH)(CCCH)(NHS)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.3080	0.000	1	107.3080	0.000	1	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	106.7435	0.037	2	106.7435	0.001	2	107.2592	0.872	142	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCCH)(H)	H(CCCN)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCCH)(H)	H(CCCN)	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:N-3:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(SCOO)(CH3)(H)	H(CCCN)	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(SCOO)(CH3)(H)	H(CCCN)	108.9140	0.000	1	108.9140	0.000	1	108.9140	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:O-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(OZn2)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	C(CCCH)2(OZn2)(H)	C(CCHO)(CH3)2(H)	H(CCCO)	107.2628	0.080	5	107.2628	0.006	5	107.2628	0.006	5	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:C-4:S-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[5]HH)(CCCH)(SRhC)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	C(CN[5]HH)(CCCH)(SRhC)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCHH)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NCHH)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	109.4710	0.000	1	109.4710	0.000	1	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	107.7370	0.342	2	107.7370	0.117	2	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NCHH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NCHH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.1006	0.314	5	108.1006	0.098	5	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(NH3)(CNO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	109.1142	0.729	5	109.1142	0.532	5	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NH3)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.9267	0.662	6	108.9267	0.439	6	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	108.3729	0.726	30	108.3729	0.527	30	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CHHP)(H)	H(CCCN)	C(CCCH)(NH3)(COO)(H)	C(CCHH)(CCHN)(CHHP)(H)	H(CCCN)	108.1645	0.243	2	108.1645	0.059	2	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(NH3)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(NH3)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.5364	0.765	29	108.5364	0.585	29	108.4956	0.547	80	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(PO3)(NCH)(H)	C(CHNP)(CH3)2(H)	H(CCNP)	C(CCCH)(PO3)(NCH)(H)	C(CHNP)(CH3)2(H)	H(CCNP)	110.9380	0.000	1	110.9380	0.000	1	110.9380	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[3]-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]2H)(CCCH)(CNO)(H)	C(CC[3]CH)(CH3)2(H)	H(CC[3]CC)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	C(CC[3]CH)(CH3)2(H)	H(CC[3]CC)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[3]-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C(CC[3]HN)(CH3)2(H)	H(CC[3]CN)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C(CC[3]HN)(CH3)2(H)	H(CC[3]CN)	106.9550	0.000	1	106.9550	0.000	1	106.9550	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[4]-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[4]C[4]2H)(CCCH)(NCH)(H)	C(CC[4]HN)(CH3)2(H)	H(CC[4]CN)	C(C[4]C[4]2H)(CCCH)(NCH)(H)	C(CC[4]HN)(CH3)2(H)	H(CC[4]CN)	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	105.5560	0.000	1	105.5560	0.000	1	105.4245	0.035	2	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	105.2930	0.000	1	105.2930	0.000	1	105.4245	0.035	2	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]CH)(CCO)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[5]CH)(CCO)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	H(CC[5]CC)	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CF3)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CC[5]HN)(CCHH)(CF3)(H)	H(CC[5]CN)	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	C(CC[6]CH)(CCHH)2(H)	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	C(CC[6]CH)(CCHH)2(H)	H(CC[6]CC)	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[5]HH)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(NC[5]HH)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	107.9910	0.000	1	107.9910	0.000	1	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCoHH)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(NCoHH)(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	109.0523	2.107	3	109.0523	4.440	3	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCoHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NCoHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.1580	0.000	1	108.1580	0.000	1	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NCuHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NCuHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.3590	0.000	1	106.3590	0.000	1	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NFeHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NFeHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.9582	0.631	6	107.9582	0.398	6	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NNiCH)(CCCH)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NNiCH)(CCCH)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.0270	0.856	2	107.0270	0.732	2	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NNiHH)(CCCH)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NNiHH)(CCCH)(CNO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.6825	0.771	4	107.6825	0.594	4	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NNiHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NNiHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.2870	0.000	1	107.2870	0.000	1	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NReHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NReHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.5180	0.000	1	107.5180	0.000	1	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NRuHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NRuHH)(CCCH)(COO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	104.5460	3.162	2	104.5460	9.999	2	107.5498	2.470	22	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	P-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PC[6a]3)(CCCH)(COO)(H)	C(CPtCH)(CCHH)(CCHP)(H)	H(CCCP)	C(PC[6a]3)(CCCH)(COO)(H)	C(CPtCH)(CCHH)(CCHP)(H)	H(CCCP)	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	S-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCHO)(CCHS)(CH3)(H)	H(CCCS)	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCHO)(CCHS)(CH3)(H)	H(CCCS)	106.7277	0.696	3	106.7277	0.484	3	106.7277	0.484	3	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:1:	4:	Si-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CSiCH)(CCHH)2(H)	H(CSiCC)	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CSiCH)(CCHH)2(H)	H(CSiCC)	104.6690	0.000	1	104.6690	0.000	1	104.6690	0.000	1	107.6451	1.613	329	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NS)	H(CC3)	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NS)	H(CC3)	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC3)	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC3)	107.2010	0.000	1	107.2010	0.000	1	107.0015	0.099	4	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(CCO)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	H(CC3)	C(CCCO)(CCHH)(CCO)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	H(CC3)	106.6980	0.000	1	106.6980	0.000	1	107.0015	0.099	4	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	106.7710	0.000	1	106.7710	0.000	1	107.0015	0.099	4	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[4]CH)(CCCO)(CCH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	C(CC[4]CH)(CCCO)(CCH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	107.3360	0.000	1	107.3360	0.000	1	107.0015	0.099	4	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(NCH)(H)	C(CCHN)(CH3)2(OH)	H(CCCN)	C(CC[6a]HH)(CCCO)(NCH)(H)	C(CCHN)(CH3)2(OH)	H(CCCN)	107.1760	0.000	1	107.1760	0.000	1	107.1760	0.000	1	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:P-4:O-2:	C-4:	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(CH3)(PO3)(OH)	H(CCCN)	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(CH3)(PO3)(OH)	H(CCCN)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(NH3)(COO)(H)	C(CCHN)(CFFH)(CH3)(OH)	H(CCCN)	C(CCCO)(NH3)(COO)(H)	C(CCHN)(CFFH)(CH3)(OH)	H(CCCN)	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(CCCS)(NCHH)(COO)(H)	C(CCHN)(CH3)2(SC)	H(CCCN)	C(CCCS)(NCHH)(COO)(H)	C(CCHN)(CH3)2(SC)	H(CCCN)	107.6195	0.247	2	107.6195	0.061	2	107.6195	0.061	2	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	C(CC[6]CH)(CH3)2(OH)	H(CC[6]CC)	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	C(CC[6]CH)(CH3)2(OH)	H(CC[6]CC)	107.1810	0.000	1	107.1810	0.000	1	105.2275	7.632	2	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	C(CC[6]CH)(CCHH)2(OH)	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	C(CC[6]CH)(CCHH)2(OH)	H(CC[6]CC)	103.2740	0.000	1	103.2740	0.000	1	105.2275	7.632	2	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	C(CC[6]HN)(CH3)2(OH)	H(CC[6]CN)	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	C(CC[6]HN)(CH3)2(OH)	H(CC[6]CN)	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NPdHH)(CCCS)(COO)(H)	C(CCHN)(CH3)2(SPd)	H(CCCN)	C(NPdHH)(CCCS)(COO)(H)	C(CCHN)(CH3)2(SPd)	H(CCCN)	107.4073	0.491	3	107.4073	0.241	3	108.6140	4.659	6	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:2:	4:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:S-2:	C-4:	C(NReHH)(CCCS)(COO)(H)	C(CCHN)(CH3)2(SRe)	H(CCCN)	C(NReHH)(CCCS)(COO)(H)	C(CCHN)(CH3)2(SRe)	H(CCCN)	109.8207	2.653	3	109.8207	7.038	3	108.6140	4.659	6	107.7882	4.109	19	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCHH)(COO)(H)	C(CCCH)(CF3)(CH3)(NHS)	H(CC3)	C(CCCN)(CCHH)(COO)(H)	C(CCCH)(CF3)(CH3)(NHS)	H(CC3)	108.4300	0.000	1	108.4300	0.000	1	107.3880	2.062	3	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NHS)	H(CC3)	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NHS)	H(CC3)	107.9840	0.000	1	107.9840	0.000	1	107.3880	2.062	3	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NHS)	H(CC3)	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NHS)	H(CC3)	105.7500	0.000	1	105.7500	0.000	1	107.3880	2.062	3	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	107.7170	0.000	1	107.7170	0.000	1	107.3134	0.736	8	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	H(CCCN)	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	H(CCCN)	106.0375	0.291	2	106.0375	0.084	2	107.3134	0.736	8	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	108.0135	0.104	2	108.0135	0.011	2	107.3134	0.736	8	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	107.8130	0.000	1	107.8130	0.000	1	107.3134	0.736	8	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	H(CCCN)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	H(CCCN)	107.0050	0.000	1	107.0050	0.000	1	107.3134	0.736	8	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	H(CCCN)	107.8700	0.000	1	107.8700	0.000	1	107.3134	0.736	8	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CC[6a]HH)(CCCN)(NOO)(H)	C(CCHN)(CH3)2(NOO)	H(CCCN)	C(CC[6a]HH)(CCCN)(NOO)(H)	C(CCHN)(CH3)2(NOO)	H(CCCN)	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:3:	4:	C-4:C-4:N-3:H-1:	C-4:Si-4:C-4:C-3:	C-4:	C(CSiCC)(CCHH)(NHP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	H(CCCN)	C(CSiCC)(CCHH)(NHP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	H(CCCN)	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	107.2715	0.824	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CH3)3	H(CC3)	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CH3)3	H(CC3)	104.4523	0.340	6	104.4523	0.115	6	104.9333	1.800	12	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(CCC)(H)	C(CCCH)(CHHO)(CH3)2	H(CC3)	C(CCHH)(CC3)(CCC)(H)	C(CCCH)(CHHO)(CH3)2	H(CC3)	104.9510	0.000	1	104.9510	0.000	1	104.9333	1.800	12	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHN)(CC3)(CCH)(H)	C(CCCH)(CH3)3	H(CC3)	C(CCHN)(CC3)(CCH)(H)	C(CCCH)(CH3)3	H(CC3)	102.3420	0.000	1	102.3420	0.000	1	104.9333	1.800	12	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5]HH)(CC3)(CCH)(H)	C(CCCH)(CH3)3	H(CC3)	C(CC[5]HH)(CC3)(CCH)(H)	C(CCCH)(CH3)3	H(CC3)	106.2982	1.106	4	106.2982	1.222	4	104.9333	1.800	12	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-4:	C-4:	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NH3)	H(CC3)	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NH3)	H(CC3)	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CCHH)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	H(CC3)	C(CC[5]CC)(CCHH)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	H(CC3)	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	H(CCCN)	106.0300	0.124	8	106.0300	0.015	8	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	107.3847	0.450	12	107.3847	0.202	12	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	H(CCCN)	106.9055	0.162	2	106.9055	0.026	2	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	107.6720	0.308	4	107.6720	0.095	4	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	106.7007	0.137	3	106.7007	0.019	3	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	104.2930	0.000	1	104.2930	0.000	1	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]HH)(CC3)(NOO)(H)	C(CCHH)(CCHN)(CH3)2	H(CCCN)	C(CC[5a]HH)(CC3)(NOO)(H)	C(CCHH)(CCHN)(CH3)2	H(CCCN)	108.1720	0.000	1	108.1720	0.000	1	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC[6a]HH)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	106.7800	0.000	1	106.7800	0.000	1	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC[6a]HO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	106.2330	0.000	1	106.2330	0.000	1	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	107.2090	0.135	3	107.2090	0.018	3	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	107.5893	0.307	3	107.5893	0.095	3	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHP)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHP)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	107.8740	0.000	1	107.8740	0.000	1	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHP)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHP)(CC3)(NHS)(H)	C(CCHN)(CH3)3	H(CCCN)	108.0615	0.343	2	108.0615	0.118	2	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CN[5]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CN[5]HH)(CC3)(NCH)(H)	C(CCHN)(CH3)3	H(CCCN)	106.9370	0.000	1	106.9370	0.000	1	107.0294	0.665	43	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(PO3)(NCH)(H)	C(CHNP)(CH3)3	H(CCNP)	C(CC3)(PO3)(NCH)(H)	C(CHNP)(CH3)3	H(CCNP)	107.1390	0.000	1	107.1390	0.000	1	105.2253	0.753	18	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	H(CCNP)	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	H(CCNP)	105.1128	0.747	17	105.1128	0.558	17	105.2253	0.753	18	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	C[3]-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[3]C[3]2H)(CC3)(CCO)(H)	C(CC[3]CH)(CCHH)(CH3)2	H(CC[3]CC)	C(C[3]C[3]2H)(CC3)(CCO)(H)	C(CC[3]CH)(CCHH)(CH3)2	H(CC[3]CC)	106.0162	0.151	4	106.0162	0.023	4	106.0162	0.023	4	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:3:1:	4:4:4:4:	4:	Si-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CSiHN)(CH3)3	H(CSiCN)	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CSiHN)(CH3)3	H(CSiCN)	105.1260	0.000	1	105.1260	0.000	1	105.1260	0.000	1	106.2515	1.680	80	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-2:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NP[6])(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NP[6])(CCCH)(H)2	H(CC3)	108.3078	0.234	5	108.3078	0.055	5	108.3078	0.055	5	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	105.8262	7.403	4	105.8262	54.798	4	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(OC[5a])(CCCH)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(OC[5a])(CCCH)(H)2	H(CC3)	107.0057	1.563	3	107.0057	2.443	3	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	107.7360	0.158	2	107.7360	0.025	2	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	107.1140	0.000	1	107.1140	0.000	1	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(OC[4])(CCCH)(H)2	H(CC3)	C(CHHO)(CH3)2(H)	C(OC[4])(CCCH)(H)2	H(CC3)	108.2827	0.197	3	108.2827	0.039	3	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(OC[6])(CCCH)(H)2	H(CC3)	C(CHHO)(CH3)2(H)	C(OC[6])(CCCH)(H)2	H(CC3)	108.3802	0.281	5	108.3802	0.079	5	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	C(CHHO)(CH3)2(H)	C(OC[6a])(CCCH)(H)2	H(CC3)	108.2848	1.414	111	108.2848	2.000	111	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)2(CH3)(H)	C(OP[6])(CCCH)(H)2	H(CC3)	C(CHHO)2(CH3)(H)	C(OP[6])(CCCH)(H)2	H(CC3)	111.4095	0.254	2	111.4095	0.064	2	108.2144	3.383	131	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:C-4:H-1:	Se-2:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5])(CCCH)(H)2	H(CC3)	107.8560	0.728	3	107.8560	0.529	3	107.8560	0.529	3	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:C-4:N-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(CH3)(NH3)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	C(CHHO)(CH3)(NH3)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:1:1:	4:	C-4:N-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:	C(CHHO)(NCHH)(CH3)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	C(CHHO)(NCHH)(CH3)(H)	C(OC[6a])(CCHN)(H)2	H(CCCN)	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	108.2176	3.162	141	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-2:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(NC[5,6])(CCCH)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(NC[5,6])(CCCH)(COO)(H)	H(CC3)	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:4:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(OC[6])(CCCH)2(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(OC[6])(CCCH)2(H)	H(CC3)	108.3915	0.275	2	108.3915	0.076	2	107.5860	0.815	9	107.5860	0.815	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:4:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CHHN)(CH3)(H)	C(OC[6a])(CCCH)(CHHN)(H)	H(CC3)	C(CCHO)(CHHN)(CH3)(H)	C(OC[6a])(CCCH)(CHHN)(H)	H(CC3)	108.9540	0.000	1	108.9540	0.000	1	107.5860	0.815	9	107.5860	0.815	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:4:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)(CHHO)2(H)	C(OC[6])(CCCH)2(H)	H(CC3)	C(CCHO)(CHHO)2(H)	C(OC[6])(CCCH)2(H)	H(CC3)	106.5780	0.314	2	106.5780	0.099	2	107.5860	0.815	9	107.5860	0.815	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:4:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	H(CC3)	107.0225	0.572	2	107.0225	0.327	2	107.5860	0.815	9	107.5860	0.815	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:4:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)2(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)2(H)	H(CC3)	107.3790	0.000	1	107.3790	0.000	1	107.5860	0.815	9	107.5860	0.815	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	2:4:4:1:	4:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:	C(CC[5]HO)(CCHO)(CH3)(H)	C(OC[6])(CCCH)2(H)	H(CC3)	C(CC[5]HO)(CCHO)(CH3)(H)	C(OC[6])(CCCH)2(H)	H(CC3)	107.9570	0.000	1	107.9570	0.000	1	107.5860	0.815	9	107.5860	0.815	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:2:4:1:	4:	S-4:C-4:C-4:H-1:	C-3:Se-2:C-4:H-1:	C-4:	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	H(CCCS)	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	H(CCCS)	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	104.2430	0.000	1	104.2430	0.000	1	105.3365	2.391	2	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[5a]C[6a]H)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	C(CC[5a]C[6a]H)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	H(CC3)	106.4300	0.000	1	106.4300	0.000	1	105.3365	2.391	2	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	H(CC3)	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	H(CC3)	C(CC[6a]C[6]H)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	H(CC3)	108.6115	0.117	2	108.6115	0.014	2	108.6115	0.014	2	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	C(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(H)	H(CC3)	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	H(CCCS)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	H(CCCS)	108.5665	0.159	2	108.5665	0.025	2	107.2762	1.565	5	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	H(CCCS)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	H(CCCS)	106.4160	0.586	3	106.4160	0.343	3	107.2762	1.565	5	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	H(CC[5]CC)	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	H(CC[5]CC)	102.7230	0.000	1	102.7230	0.000	1	103.2384	0.164	5	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	H(CC[5]CC)	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	H(CC[5]CC)	103.2150	0.154	3	103.2150	0.024	3	103.2384	0.164	5	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	H(CC[5]CC)	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	H(CC[5]CC)	103.8240	0.000	1	103.8240	0.000	1	103.2384	0.164	5	106.1008	5.546	16	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:	C(CC[6a]2C)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(CN)	H(CC3)	C(CC[6a]2C)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(CN)	H(CC3)	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	107.3940	1.915	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]2O)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	H(CC3)	C(CC[6a]2O)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	H(CC3)	108.0425	0.056	2	108.0425	0.003	2	108.0425	0.003	2	107.3940	1.915	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-3:C-4:C-2:	C-4:	C(CC[6a]CN)(CHHN)(CC3)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	H(CC3)	C(CC[6a]CN)(CHHN)(CC3)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	H(CC3)	105.3210	0.000	1	105.3210	0.000	1	105.3210	0.000	1	107.3940	1.915	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:3:4:3:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(C[6a]C[6a]2)2(CCHN)(NRuH)	H(CCCN)	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(C[6a]C[6a]2)2(CCHN)(NRuH)	H(CCCN)	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	B-4:P-4:C-4:H-1:	B-3:C-4:H-1:H-1:	C-4:	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	C(BC[6a]2)(CBHP)(H)2	H(CBCP)	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	C(BC[6a]2)(CBHP)(H)2	H(CBCP)	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	H(CC3)	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	H(CC3)	107.6860	0.000	1	107.6860	0.000	1	107.8485	0.053	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:Br-1:H-1:	C-4:	C(CBrCH)2(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	H(CC3)	C(CBrCH)2(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	H(CC3)	108.0110	0.000	1	108.0110	0.000	1	107.8485	0.053	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	H(CC3)	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	H(CC3)	108.4690	0.000	1	108.4690	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(H)2	H(CC3)	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(H)2	H(CC3)	107.6490	0.000	1	107.6490	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(CF3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	C(CCCN)(CCHH)(CF3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	106.9660	0.000	1	106.9660	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(CH3)(H)	C(CN[5a]O)(CCCH)(H)2	H(CC3)	C(CCCN)(CCHH)(CH3)(H)	C(CN[5a]O)(CCCH)(H)2	H(CC3)	108.0750	0.000	1	108.0750	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	108.2690	0.000	1	108.2690	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[5]C)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[5]C)(CCCH)(H)2	H(CC3)	108.1010	0.000	1	108.1010	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[5a]2)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[5a]2)(CCCH)(H)2	H(CC3)	108.0880	0.183	6	108.0880	0.033	6	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6,6]Pd)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6,6]Pd)(CCCH)(H)2	H(CC3)	108.0990	0.187	2	108.0990	0.035	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6a]C)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6a]C)(CCCH)(H)2	H(CC3)	108.0767	0.172	3	108.0767	0.030	3	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	108.1350	0.296	7	108.1350	0.088	7	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	106.4295	1.125	2	106.4295	1.266	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[6a]O)(CCCH)(H)2	H(CC3)	108.4570	0.000	1	108.4570	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	108.3395	0.112	2	108.3395	0.013	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	107.8945	0.692	2	107.8945	0.479	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CHHO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)(CHHO)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	109.2430	0.000	1	109.2430	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]C)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]C)(CCCH)(H)2	H(CC3)	107.8850	0.000	1	107.8850	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[5]O)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[5]O)(CCCH)(H)2	H(CC3)	107.5403	0.787	4	107.5403	0.620	4	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	H(CC3)	108.2160	0.000	1	108.2160	0.000	1	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	108.1130	1.212	2	108.1130	1.469	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	H(CC3)	107.0330	0.216	2	107.0330	0.047	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]2O)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	C(CC[6a]2O)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	H(CC3)	108.0495	0.090	2	108.0495	0.008	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	H(CC3)	C(CC[6a]CC)(CCHH)(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	H(CC3)	106.5660	0.659	2	106.5660	0.434	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CN)(CCHH)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	C(CC[6a]CN)(CCHH)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	H(CC3)	106.5595	0.071	2	106.5595	0.005	2	107.8200	0.522	48	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	106.9815	0.496	2	106.9815	0.246	2	108.1711	0.357	16	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5])(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5])(CCCH)(H)2	H(CC3)	107.7780	0.000	1	107.7780	0.000	1	108.1711	0.357	16	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	108.2232	0.201	4	108.2232	0.040	4	108.1711	0.357	16	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5])(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5])(CCCH)(H)2	H(CC3)	108.6737	0.033	3	108.6737	0.001	3	108.1711	0.357	16	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5])(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5])(CCCH)(H)2	H(CC3)	108.8080	0.000	1	108.8080	0.000	1	108.1711	0.357	16	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(CCHH)(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CC[5]HH)2(CCHH)(H)	C(C[5]C[5]2)(CCCH)(H)2	H(CC3)	108.1785	0.475	4	108.1785	0.226	4	108.1711	0.357	16	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(H)2	H(CC3)	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(H)2	H(CC3)	108.5600	0.000	1	108.5600	0.000	1	108.1711	0.357	16	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]2)(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]2)(CCCH)(H)2	H(CC3)	107.9049	0.200	8	107.9049	0.040	8	107.9475	0.183	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	107.9158	0.588	9	107.9158	0.346	9	107.9475	0.183	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(H)2	H(CC3)	C(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(H)2	H(CC3)	108.2605	0.144	2	108.2605	0.021	2	107.9475	0.183	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCCH)(H)2	H(CC3)	108.6760	0.000	1	108.6760	0.000	1	107.0824	7.258	7	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	H(CC3)	103.8605	3.733	2	103.8605	13.934	2	107.0824	7.258	7	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	H(CC3)	108.6190	0.093	2	108.6190	0.009	2	107.0824	7.258	7	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]N[5,6]C[6])(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]N[5,6]C[6])(CCCH)(H)2	H(CC3)	107.9710	0.011	2	107.9710	0.000	2	107.0824	7.258	7	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.6750	0.000	1	107.6750	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.2450	0.000	1	107.2450	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	106.1160	1.154	9	106.1160	1.332	9	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.2510	0.183	4	107.2510	0.034	4	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	106.7670	0.000	1	106.7670	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	105.6103	0.773	4	105.6103	0.597	4	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.8040	0.122	2	107.8040	0.015	2	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	H(CC3)	107.7740	0.000	1	107.7740	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.2950	0.000	1	107.2950	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	109.0550	0.000	1	109.0550	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.2853	0.420	3	107.2853	0.176	3	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.3405	2.765	6	108.3405	7.643	6	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.0830	0.000	1	108.0830	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CClHH)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CClHH)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.2670	0.000	1	107.2670	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	H(CC3)	107.6550	0.000	1	107.6550	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	H(CC3)	108.1130	0.158	2	108.1130	0.025	2	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC3)	107.7600	0.000	1	107.7600	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.9572	1.128	65	107.9572	1.272	65	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	107.9721	0.782	8	107.9721	0.612	8	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CH3)2(H)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	H(CC3)	105.4920	0.000	1	105.4920	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.3770	1.095	2	107.3770	1.198	2	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC3)	108.8710	0.000	1	108.8710	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	112.7380	0.000	1	112.7380	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	H(CC3)	107.1870	2.058	2	107.1870	4.234	2	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.8670	0.000	1	107.8670	0.000	1	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.9300	0.044	2	107.9300	0.002	2	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CSeHH)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CSeHH)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	H(CC3)	108.0665	0.600	4	108.0665	0.360	4	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	H(CC3)	107.2507	0.063	4	107.2507	0.004	4	107.7025	1.767	131	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]C)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]C)(CCCH)(H)2	H(CC3)	108.6440	0.000	1	108.6440	0.000	1	108.2116	0.348	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	H(CC3)	107.6070	0.725	3	107.6070	0.526	3	108.2116	0.348	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NC[5]H)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NC[5]H)(CCCH)(H)2	H(CC3)	108.2515	0.028	2	108.2515	0.001	2	108.2116	0.348	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NC[6]H)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NC[6]H)(CCCH)(H)2	H(CC3)	107.6835	0.612	2	107.6835	0.374	2	108.2116	0.348	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(H)2	H(CC3)	108.1140	0.352	4	108.1140	0.124	4	108.2116	0.348	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(H)2	H(CC3)	108.0890	0.114	3	108.0890	0.013	3	108.2116	0.348	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)2(CH3)(H)	C(NC[6a]2)(CCCH)(H)2	H(CC3)	C(CHHN)2(CH3)(H)	C(NC[6a]2)(CCCH)(H)2	H(CC3)	108.9907	0.167	4	108.9907	0.028	4	108.2116	0.348	19	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	108.1733	0.416	6	108.1733	0.173	6	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	H(CC3)	107.6210	0.000	1	107.6210	0.000	1	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	H(CC3)	104.7290	0.000	1	104.7290	0.000	1	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	108.0586	0.285	5	108.0586	0.081	5	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]2)(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]2)(CCCH)(H)2	H(CC3)	107.7010	0.000	1	107.7010	0.000	1	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	H(CC3)	108.8222	0.732	6	108.8222	0.536	6	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(H)2	H(CC3)	107.9618	0.939	13	107.9618	0.881	13	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]N[5])(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]N[5])(CCCH)(H)2	H(CC3)	108.2275	0.796	10	108.2275	0.634	10	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	H(CC3)	108.0247	0.403	8	108.0247	0.162	8	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[5]C[5])(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[5]C[5])(CCCH)(H)2	H(CC3)	107.9377	1.450	117	107.9377	2.101	117	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(N[5]P[3x5]C[5])(CCCH)(H)2	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(N[5]P[3x5]C[5])(CCCH)(H)2	H(CC3)	107.8983	0.405	3	107.8983	0.164	3	107.9807	1.656	171	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	H(CC3)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	H(CC3)	107.0220	0.000	1	107.0220	0.000	1	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CCHH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(H)2	H(CC3)	108.3713	0.232	4	108.3713	0.054	4	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CCHH)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	H(CC3)	106.0420	0.000	1	106.0420	0.000	1	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	H(CC3)	108.3230	0.000	1	108.3230	0.000	1	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	H(CC3)	107.8960	0.000	1	107.8960	0.000	1	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	H(CC3)	108.2359	0.225	7	108.2359	0.051	7	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	H(CC3)	106.9940	0.000	1	106.9940	0.000	1	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	108.1947	0.476	4	108.1947	0.226	4	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	H(CC3)	C(CN[5a]HH)(CH3)2(H)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	H(CC3)	107.0285	2.297	14	107.0285	5.275	14	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)3(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	C(CN[5a]HH)3(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	H(CC3)	107.6123	0.125	4	107.6123	0.016	4	107.6063	2.289	38	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	H(CC3)	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	H(CC3)	108.7495	0.797	2	108.7495	0.635	2	108.2897	0.492	9	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(H)2	H(CC3)	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(H)2	H(CC3)	107.7452	0.439	4	107.7452	0.192	4	108.2897	0.492	9	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(CH3)(H)	C(N[6]C[6,6a]2)(CCCH)(H)2	H(CC3)	C(CN[6]HH)(CHHN)(CH3)(H)	C(N[6]C[6,6a]2)(CCCH)(H)2	H(CC3)	108.7090	0.541	3	108.7090	0.293	3	108.2897	0.492	9	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)2(H)	C(N[6a]C[6a]2)(CCCH)(H)2	H(CC3)	C(CN[6a]HH)(CCHH)2(H)	C(N[6a]C[6a]2)(CCCH)(H)2	H(CC3)	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-3:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(PC[5]C)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(PC[5]C)(CCCH)(H)2	H(CC3)	107.8775	0.420	4	107.8775	0.176	4	107.8775	0.176	4	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	S-3:C-4:H-1:H-1:	C-4:	C(CHHS)(CH3)2(H)	C(SC[6a]O)(CCCH)(H)2	H(CC3)	C(CHHS)(CH3)2(H)	C(SC[6a]O)(CCCH)(H)2	H(CC3)	108.3270	0.071	2	108.3270	0.005	2	108.3270	0.005	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5]Cu)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5]Cu)(CCCH)(H)2	H(CC3)	108.2640	0.532	3	108.2640	0.283	3	108.3098	0.197	4	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	Se-3:C-4:H-1:H-1:	C-4:	C(CSeHH)2(CH3)(H)	C(SeFe2)(CCCH)(H)2	H(CC3)	C(CSeHH)2(CH3)(H)	C(SeFe2)(CCCH)(H)2	H(CC3)	108.4470	0.000	1	108.4470	0.000	1	108.3098	0.197	4	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	H(CCCN)	108.7430	0.588	6	108.7430	0.346	6	108.7430	0.346	6	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(NH3)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	C(CC[5a]HH)(CHHO)(NH3)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	H(CCCN)	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	105.2985	2.147	2	105.2985	4.612	2	107.7013	4.715	23	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.8127	0.466	4	107.8127	0.217	4	107.7013	4.715	23	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	H(CCCN)	108.8330	0.000	1	108.8330	0.000	1	107.7013	4.715	23	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.0429	2.633	13	108.0429	6.930	13	107.7013	4.715	23	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.0565	0.255	2	107.0565	0.065	2	107.7013	4.715	23	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.7780	0.000	1	107.7780	0.000	1	107.7013	4.715	23	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:N-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(CCCH)(NH3)(H)	C(N[6]C[6]2)(CCHN)(H)2	H(CCCN)	C(CN[6]HH)(CCCH)(NH3)(H)	C(N[6]C[6]2)(CCHN)(H)2	H(CCCN)	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:P-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(PO3)(H)	C(C[6]C[6]2)(CCHP)(H)2	H(CCCP)	C(CC[6]HH)(CCHH)(PO3)(H)	C(C[6]C[6]2)(CCHP)(H)2	H(CCCP)	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	H(CCCS)	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	H(CCCS)	107.5150	0.936	3	107.5150	0.875	3	107.5150	0.875	3	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	108.3594	0.839	8	108.3594	0.703	8	106.8844	18.899	11	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NIr2C)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NIr2C)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	94.0052	0.000	1	94.0052	0.000	1	106.8844	18.899	11	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NRhCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NRhCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.1040	0.000	1	107.1040	0.000	1	106.8844	18.899	11	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NZnHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NZnHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	H(CCCN)	107.7440	0.000	1	107.7440	0.000	1	106.8844	18.899	11	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(NCCH)(CH3)(H)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	H(CCCN)	C(CN[5]HH)(NCCH)(CH3)(H)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	H(CCCN)	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	H(CCCN)	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	H(CCCN)	107.5653	0.303	12	107.5653	0.092	12	107.5653	0.092	12	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:N-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	H(CCNP)	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	H(CCNP)	107.0440	0.000	1	107.0440	0.000	1	107.0440	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	H(CCCP)	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	H(CCCP)	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:P-4:P-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PO3)2(H)	C(C[5]N[5]S[5])(CHPP)(H)2	H(CCPP)	C(CC[5]HH)(PO3)2(H)	C(C[5]N[5]S[5])(CHPP)(H)2	H(CCPP)	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:P-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(PO3)2(H)	C(C[6a]C[6a]2)(CHPP)(H)2	H(CCPP)	C(CC[6a]HH)(PO3)2(H)	C(C[6a]C[6a]2)(CHPP)(H)2	H(CCPP)	107.6820	0.000	1	107.6820	0.000	1	107.6820	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:P-4:P-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(PO3)2(H)	C(NC[6]H)(CHPP)(H)2	H(CCPP)	C(CHHN)(PO3)2(H)	C(NC[6]H)(CHPP)(H)2	H(CCPP)	105.5950	0.000	1	105.5950	0.000	1	105.5950	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(F)(H)	H(CCCS)	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(F)(H)	H(CCCS)	106.1310	0.000	1	106.1310	0.000	1	106.1310	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:S-4:S-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(SCOO)2(H)	C(C[5a]C[5a]N[5a])(CHSS)(H)2	H(CCSS)	C(CC[5a]HH)(SCOO)2(H)	C(C[5a]C[5a]N[5a])(CHSS)(H)2	H(CCSS)	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:S-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SCOO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	H(CCSS)	C(CC[6a]HH)(SCOO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	H(CCSS)	109.6720	0.000	1	109.6720	0.000	1	108.4265	3.103	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:S-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	H(CCSS)	C(CC[6a]HH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(H)2	H(CCSS)	107.1810	0.000	1	107.1810	0.000	1	108.4265	3.103	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[4]CH)(H)2	H(CC[4]CC)	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[4]CH)(H)2	H(CC[4]CC)	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	H(CC[5,6]CC)	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	H(CC[5]CC)	107.7500	0.000	1	107.7500	0.000	1	105.1494	2.116	5	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	H(CC[5]CC)	104.4993	0.055	4	104.4993	0.003	4	105.1494	2.116	5	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	H(CC[5]CC)	105.0157	0.188	3	105.0157	0.035	3	105.0157	0.035	3	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	H(CC[5]CC)	108.0700	0.325	2	108.0700	0.106	2	108.0700	0.106	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C-4:S-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5]HS)(H)2	H(CC[5]CS)	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CC[5]HS)(H)2	H(CC[5]CS)	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2)(CC[6]CH)(H)2	H(CC[6]CC)	106.6450	0.000	2	106.6450	0.000	2	106.6450	0.000	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	H(CC[6]CC)	108.2700	0.000	1	108.2700	0.000	1	108.2700	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(C[6]O[6]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]O[6]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	H(CC[6]CC)	104.7691	0.202	8	104.7691	0.041	8	104.7691	0.041	8	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:S-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	C(N[6]C[6]2)(CC[6]HS)(H)2	H(CC[6]CS)	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	C(N[6]C[6]2)(CC[6]HS)(H)2	H(CC[6]CS)	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(CH3)(H)	C(NC[5]Co)(CCHN)(H)2	H(CCCN)	C(NCoCC)(CHHN)(CH3)(H)	C(NC[5]Co)(CCHN)(H)2	H(CCCN)	107.6290	0.000	1	107.6290	0.000	1	107.3100	0.204	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(CH3)(H)	C(NC[5]Ni)(CCHN)(H)2	H(CCCN)	C(NNiHH)(CHHN)(CH3)(H)	C(NC[5]Ni)(CCHN)(H)2	H(CCCN)	106.9910	0.000	1	106.9910	0.000	1	107.3100	0.204	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	P-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	H(CCCP)	107.3600	0.000	1	107.3600	0.000	1	107.7760	0.346	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	P-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	H(CCCP)	108.1920	0.000	1	108.1920	0.000	1	107.7760	0.346	2	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	S-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CN[5a]O)(CCHS)(H)2	H(CCCS)	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CN[5a]O)(CCHS)(H)2	H(CCCS)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	Si-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CSiCH)(H)2	H(CSiCC)	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CSiCH)(H)2	H(CSiCC)	107.4180	0.000	1	107.4180	0.000	1	107.4180	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:1:1:	4:	Si-4:Si-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:	C(SiCl2C)2(CCHH)(H)	C(CC[6a]C)(CSi2H)(H)2	H(CSi2C)	C(SiCl2C)2(CCHH)(H)	C(CC[6a]C)(CSi2H)(H)2	H(CSi2C)	106.0260	0.000	1	106.0260	0.000	1	106.0260	0.000	1	107.7556	2.152	572	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CC[5,6]O)(CCCH)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CC[5,6]O)(CCCH)(OC)(H)	H(CC3)	107.8425	0.151	2	107.8425	0.023	2	107.8425	0.023	2	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-2:H-1:	C-4:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	H(CC3)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	H(CC3)	107.0790	0.000	1	107.0790	0.000	1	107.0790	0.000	1	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:	C(CC[5a]HO)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	H(CC3)	C(CC[5a]HO)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	H(CC3)	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	H(CC3)	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	H(CC3)	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	110.8080	0.000	1	110.8080	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	106.6225	0.665	2	106.6225	0.443	2	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.9710	0.000	1	107.9710	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	106.1600	0.000	1	106.1600	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	106.4425	0.135	2	106.4425	0.018	2	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	H(CC3)	107.7270	0.000	1	107.7270	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	105.4650	0.000	1	105.4650	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	109.2650	0.000	1	109.2650	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.3740	0.000	1	108.3740	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	106.6380	0.000	1	106.6380	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	105.4830	0.000	1	105.4830	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	104.5270	0.000	1	104.5270	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	H(CC3)	106.9870	0.000	1	106.9870	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	H(CC3)	107.2740	0.000	1	107.2740	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.8370	0.000	1	107.8370	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	H(CC3)	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	H(CC3)	107.5280	0.000	1	107.5280	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	H(CC3)	108.5670	0.000	1	108.5670	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	H(CC3)	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	H(CC3)	108.5180	0.355	3	108.5180	0.126	3	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	108.1630	0.000	1	108.1630	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.0300	0.000	1	107.0300	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	105.6140	0.000	1	105.6140	0.000	1	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	C(CC[6a]HO)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	H(CC3)	107.6760	0.465	2	107.6760	0.216	2	107.3501	1.836	27	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:C-2:H-1:	C-4:	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(CN)(H)	H(CC3)	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(CN)(H)	H(CC3)	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	106.8705	0.021	2	106.8705	0.000	2	107.0042	0.328	9	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.0480	0.000	1	108.0480	0.000	1	107.0042	0.328	9	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	106.8748	0.529	6	106.8748	0.280	6	107.0042	0.328	9	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:C-4:S-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	107.5643	0.935	3	107.5643	0.875	3	107.5643	0.875	3	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:N-4:C-4:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(NCHH)(CH3)(H)	C(C[6]C[6]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6]HO)(NCHH)(CH3)(H)	C(C[6]C[6]2)(CCHN)(OH)(H)	H(CCCN)	109.5815	1.561	2	109.5815	2.435	2	109.5815	2.435	2	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	107.2391	0.716	40	107.2391	0.512	40	107.9901	4.365	82	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.7879	2.718	39	108.7879	7.386	39	107.9901	4.365	82	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NMoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	H(CCCN)	C(CC[6a]HO)(NMoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	H(CCCN)	105.8080	0.000	1	105.8080	0.000	1	107.9901	4.365	82	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(NPdHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	C(CC[6a]HO)(NPdHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	H(CCCN)	108.5425	0.422	2	108.5425	0.178	2	107.9901	4.365	82	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	H(CCCP)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	H(CCCP)	106.0380	0.000	1	106.0380	0.000	1	106.9180	0.675	4	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	H(CCCP)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	H(CCCP)	107.2113	0.704	3	107.2113	0.496	3	106.9180	0.675	4	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	107.5485	0.036	4	107.5485	0.001	4	107.5485	0.001	4	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	H(CCCS)	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	H(CCCS)	105.2485	0.308	2	105.2485	0.095	2	105.2485	0.095	2	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:1:	4:	N[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	H(CN[5]CC)	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	H(CN[5]CC)	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	107.7345	3.235	140	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:2:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:	C(CC[6a]OO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)2	H(CC3)	C(CC[6a]OO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)2	H(CC3)	107.9755	0.193	2	107.9755	0.037	2	107.9755	0.037	2	107.9755	0.037	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	B[5]-3:C-4:N-3:H-1:	C-4:	C(CB[5]HN)(CH3)2(H)	C(B[5]O[5]2)(CCCH)(NHS)(H)	H(CC3)	C(CB[5]HN)(CH3)2(H)	C(B[5]O[5]2)(CCCH)(NHS)(H)	H(CC3)	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:C-3:H-1:	C-4:	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(CCH)(H)	H(CC3)	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(CCH)(H)	H(CC3)	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CF3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CF3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	106.9490	0.000	1	106.9490	0.000	1	107.8193	1.290	18	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	108.5370	0.000	1	108.5370	0.000	1	107.8193	1.290	18	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	C(CCHN)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	106.4720	0.000	1	106.4720	0.000	1	107.8193	1.290	18	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCC)(H)	H(CC3)	108.6385	0.064	2	108.6385	0.004	2	107.8193	1.290	18	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	108.3084	1.403	7	108.3084	1.967	7	107.8193	1.290	18	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CC[6]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NHO)(H)	H(CC3)	C(CC[6]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NHO)(H)	H(CC3)	107.3893	0.789	3	107.3893	0.622	3	107.8193	1.290	18	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	H(CC3)	107.0620	0.501	3	107.0620	0.251	3	107.8193	1.290	18	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CCHH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	H(CC3)	C(CC[5]HN)(CCHH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	H(CC3)	107.7253	0.709	6	107.7253	0.502	6	107.6619	0.534	9	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	H(CC3)	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	H(CC3)	107.6590	1.264	2	107.6590	1.598	2	107.6619	0.534	9	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	H(CC3)	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	H(CC3)	107.2870	0.000	1	107.2870	0.000	1	107.6619	0.534	9	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	H(CC3)	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	H(CC3)	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CCHN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CCHN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	106.9692	0.813	4	106.9692	0.661	4	107.3907	0.386	29	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CCHO)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CCHO)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	106.9290	0.000	1	106.9290	0.000	1	107.3907	0.386	29	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	107.6324	0.564	11	107.6324	0.318	11	107.3907	0.386	29	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	H(CC3)	106.9170	0.000	1	106.9170	0.000	1	107.3907	0.386	29	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	H(CC3)	107.2913	0.630	3	107.2913	0.396	3	107.3907	0.386	29	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	H(CC3)	107.6490	0.000	1	107.6490	0.000	1	107.3907	0.386	29	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	H(CC3)	107.3911	0.651	8	107.3911	0.423	8	107.3907	0.386	29	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	108.3715	0.319	4	108.3715	0.102	4	108.2238	0.320	17	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	107.5815	0.043	2	107.5815	0.002	2	108.2238	0.320	17	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	H(CC3)	109.9140	0.000	1	109.9140	0.000	1	108.2238	0.320	17	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	H(CC3)	108.0980	0.271	7	108.0980	0.073	7	108.2238	0.320	17	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	108.4665	0.093	2	108.4665	0.009	2	108.2238	0.320	17	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	H(CC3)	107.6230	0.000	1	107.6230	0.000	1	108.2238	0.320	17	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	107.5013	0.588	13	107.5013	0.346	13	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	106.3930	0.000	1	106.3930	0.000	1	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	107.3340	0.000	1	107.3340	0.000	1	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	H(CC3)	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	H(CC3)	108.9765	0.285	2	108.9765	0.081	2	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	H(CC3)	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	H(CC3)	109.2195	0.528	4	109.2195	0.279	4	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	H(CC3)	108.1795	0.064	2	108.1795	0.004	2	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	108.8770	0.000	1	108.8770	0.000	1	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	C(CC[6a]HN)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	H(CC3)	107.1925	0.343	4	107.1925	0.118	4	107.8600	0.831	28	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:B-3:H-1:	C-4:	C(CBHN)(CCHH)2(H)	C(NC[5]C)(CCCH)(BCN)(H)	H(CC3)	C(CBHN)(CCHH)2(H)	C(NC[5]C)(CCCH)(BCN)(H)	H(CC3)	104.9785	0.110	2	104.9785	0.012	2	105.2093	0.166	3	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:B-3:H-1:	C-4:	C(CBHN)(CCHH)2(H)	C(NC[6a]H)(CCCH)(BCO)(H)	H(CC3)	C(CBHN)(CCHH)2(H)	C(NC[6a]H)(CCCH)(BCO)(H)	H(CC3)	105.6710	0.000	1	105.6710	0.000	1	105.2093	0.166	3	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(NC[4]H)(CCCH)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(NC[4]H)(CCCH)(COO)(H)	H(CC3)	107.2345	0.667	4	107.2345	0.445	4	106.9866	0.295	8	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]H)(CCCH)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]H)(CCCH)(COO)(H)	H(CC3)	106.9775	0.060	2	106.9775	0.004	2	106.9866	0.295	8	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NC[5]H)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NC[5]H)(CCCH)(COO)(H)	H(CC3)	106.5000	0.065	2	106.5000	0.004	2	106.9866	0.295	8	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(COS)(H)	H(CC3)	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(COS)(H)	H(CC3)	108.4120	0.000	1	108.4120	0.000	1	108.1199	0.332	12	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	H(CC3)	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	H(CC3)	108.6760	0.000	1	108.6760	0.000	1	108.1199	0.332	12	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	H(CC3)	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	H(CC3)	107.9400	0.279	2	107.9400	0.078	2	108.1199	0.332	12	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	H(CC3)	108.4530	0.363	4	108.4530	0.132	4	108.1199	0.332	12	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	H(CC3)	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	H(CC3)	107.8125	1.150	2	107.8125	1.324	2	108.1199	0.332	12	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	H(CC3)	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	H(CC3)	107.5170	0.178	2	107.5170	0.032	2	108.1199	0.332	12	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	H(CC3)	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	H(CC3)	107.9550	0.069	2	107.9550	0.005	2	108.2710	0.197	4	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:	C(CN[5a]CH)(CH3)2(H)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	H(CC3)	C(CN[5a]CH)(CH3)2(H)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	H(CC3)	108.5870	0.433	2	108.5870	0.187	2	108.2710	0.197	4	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(COO)(H)	H(CC3)	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(COO)(H)	H(CC3)	108.1689	2.023	7	108.1689	4.092	7	108.1689	4.092	7	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	H(CCCN)	107.8020	0.000	1	107.8020	0.000	1	107.8020	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(CH3)(PO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	H(CCCP)	C(CC[6a]HN)(CH3)(PO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	H(CCCP)	105.8210	0.000	1	105.8210	0.000	1	105.8210	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:C-4:Si-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:	C(CN[5]CH)(CCHH)(SiC3)(H)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	H(CSiCC)	C(CN[5]CH)(CCHH)(SiC3)(H)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	H(CSiCC)	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(CC[6a]HO)(NCoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	H(CCCN)	C(CC[6a]HO)(NCoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	H(CCCN)	107.0400	0.944	5	107.0400	0.891	5	107.1253	2.473	11	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:	C(CC[6a]HO)(NNiCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	H(CCCN)	C(CC[6a]HO)(NNiCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	H(CCCN)	107.1963	2.054	6	107.1963	4.220	6	107.1253	2.473	11	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	H(CCCS)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	H(CCCS)	105.0750	0.000	1	105.0750	0.000	1	105.8515	1.206	2	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	H(CCCS)	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	H(CCCS)	106.6280	0.000	1	106.6280	0.000	1	105.8515	1.206	2	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C-4:S-4:S-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	H(CCSS)	C(CC[6a]CH)(SC[6a]OO)2(H)	C(C[6a]C[6a]2)(CHSS)(CCC)(H)	H(CCSS)	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	H(CC[6]CC)	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	H(CC[6]CC)	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:1:	4:	C[6]-4:C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	H(CC[6]CP)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	H(CC[6]CP)	105.0150	0.000	1	105.0150	0.000	1	105.0150	0.000	1	107.6735	1.489	157	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-2:	C-4:	C(CC[6a]CC)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	H(CC3)	C(CC[6a]CC)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	H(CC3)	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	107.0700	0.736	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:N-2:	C-4:	C(CC[6a]CN)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	H(CC3)	C(CC[6a]CN)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	H(CC3)	106.5760	0.083	2	106.5760	0.007	2	106.5760	0.007	2	107.0700	0.736	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:3:3:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:	C(CC[6a]CC)(CCHH)(CH3)(H)	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	H(CC3)	C(CC[6a]CC)(CCHH)(CH3)(H)	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	H(CC3)	106.6020	0.578	2	106.6020	0.335	2	106.6020	0.335	2	106.6020	0.335	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:	C(CB[5]CH)(CCCH)(CH3)(H)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	H(CC3)	C(CB[5]CH)(CCCH)(CH3)(H)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	H(CC3)	106.3990	0.000	1	106.3990	0.000	1	106.3990	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CC[6]N)(CCCH)(CH3)(H)	H(CC3)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CC[6]N)(CCCH)(CH3)(H)	H(CC3)	104.2430	0.000	2	104.2430	0.000	2	105.9260	4.230	4	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	H(CC3)	C(CCCH)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	H(CC3)	108.4340	0.000	1	108.4340	0.000	1	105.9260	4.230	4	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CN[5]O)(CCCH)2(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CN[5]O)(CCCH)2(H)	H(CC3)	106.7840	0.000	1	106.7840	0.000	1	105.9260	4.230	4	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:C-4:Br-1:	C-4:	C(CC[5]BrC)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	H(CC3)	C(CC[5]BrC)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	H(CC3)	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:N-4:C-4:H-1:	C-4:	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	H(CC3)	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	H(CC3)	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:	C(CC[5a]CH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	H(CC3)	C(CC[5a]CH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	H(CC3)	106.8640	0.173	2	106.8640	0.030	2	106.8640	0.030	2	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	H(CC3)	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	H(CC3)	108.1465	0.531	2	108.1465	0.282	2	108.1465	0.282	2	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:	C(CC[6]HN)(CH3)2(H)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	H(CC3)	C(CC[6]HN)(CH3)2(H)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	H(CC3)	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	107.6690	0.000	1	107.6690	0.000	1	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	106.6330	0.000	1	106.6330	0.000	1	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	107.7010	1.117	2	107.7010	1.248	2	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	H(CC3)	107.3160	0.000	1	107.3160	0.000	1	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	H(CC3)	107.7420	0.000	1	107.7420	0.000	1	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	H(CC3)	107.0310	0.000	1	107.0310	0.000	1	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	107.5003	0.662	11	107.5003	0.438	11	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	107.2640	0.000	1	107.2640	0.000	1	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	H(CC3)	107.5830	0.000	1	107.5830	0.000	1	107.4571	0.359	20	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-1:	C-4:	C(CC[6a]CO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	H(CC3)	C(CC[6a]CO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	H(CC3)	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	H(CC3)	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	H(CC3)	107.2375	0.069	2	107.2375	0.005	2	107.7440	0.442	6	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	H(CC3)	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	H(CC3)	108.3337	0.195	3	108.3337	0.038	3	107.7440	0.442	6	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	H(CC3)	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	H(CC3)	106.9880	0.000	1	106.9880	0.000	1	107.7440	0.442	6	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:Si-4:H-1:	C-4:	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	H(CC3)	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	H(CC3)	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NC[5]Pd)(CCCH)(CHHO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NC[5]Pd)(CCCH)(CHHO)(H)	H(CC3)	108.5340	0.585	3	108.5340	0.342	3	108.4337	0.193	6	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(CCHH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(CCHH)(H)	H(CC3)	108.5220	0.000	1	108.5220	0.000	1	108.4337	0.193	6	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(CH3)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(CH3)(H)	H(CC3)	108.2390	0.407	2	108.2390	0.166	2	108.4337	0.193	6	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	H(CC3)	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	H(CC3)	107.7535	0.769	2	107.7535	0.591	2	107.6310	0.640	5	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	H(CC3)	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	H(CC3)	107.6040	0.000	1	107.6040	0.000	1	107.6310	0.640	5	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CH3)2(H)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	H(CC3)	C(CN[5]CH)(CH3)2(H)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	H(CC3)	108.5000	0.000	1	108.5000	0.000	1	107.6310	0.640	5	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:	C(CN[5]CH)(CHHO)(CH3)(H)	C(N[5]C[5]2)(CCCH)2(H)	H(CC3)	C(CN[5]CH)(CHHO)(CH3)(H)	C(N[5]C[5]2)(CCCH)2(H)	H(CC3)	106.5440	0.000	1	106.5440	0.000	1	107.6310	0.640	5	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:	C(CN[5a]CH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	H(CC3)	C(CN[5a]CH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	H(CC3)	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	H(CC3)	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	H(CC3)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	S[6]-3:C-4:C-4:H-1:	C-4:	C(CS[6]CH)(CH3)2(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	H(CC3)	C(CS[6]CH)(CH3)2(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	H(CC3)	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	C(CC[6a]CH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	H(CCCN)	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	H(CCCN)	105.9650	0.000	1	105.9650	0.000	1	105.9650	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	H(CCCP)	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	H(CCCP)	105.7230	0.000	1	105.7230	0.000	1	105.7230	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:Si-4:Si-4:H-1:	C[6a]-3:Si-4:C-4:H-1:	C-4:	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	H(CSi2C)	C(CC[6a]SiH)(SiCCH)(SiC3)(H)	C(C[6a]C[6a]2)(SiSiCC)(CSi2H)(H)	H(CSi2C)	103.8240	0.000	1	103.8240	0.000	1	103.8240	0.000	1	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	H(CC[5]CC)	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	H(CC[5]CC)	106.2180	0.000	1	106.2180	0.000	1	106.6065	0.302	2	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	H(CC[5]CC)	106.9950	0.000	1	106.9950	0.000	1	106.6065	0.302	2	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CC[6]CC)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	H(CC[6]CC)	105.4620	0.000	1	105.4620	0.000	1	105.5295	2.413	4	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	H(CC[6]CC)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	H(CC[6]CC)	104.4605	0.291	2	104.4605	0.084	2	105.5295	2.413	4	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	H(CC[6]CC)	107.7350	0.000	1	107.7350	0.000	1	105.5295	2.413	4	107.2581	1.417	64	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)2(H)	C(CC[5]O)(CCCH)(CCHH)(OH)	H(CC3)	C(CCCO)(CH3)2(H)	C(CC[5]O)(CCCH)(CCHH)(OH)	H(CC3)	106.6640	0.000	1	106.6640	0.000	1	107.2060	0.588	2	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:O-2:	C-4:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	H(CC3)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	H(CC3)	107.7480	0.000	1	107.7480	0.000	1	107.2060	0.588	2	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:C-4:N-2:	C-4:	C(CC[5a]CN)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	H(CC3)	C(CC[5a]CN)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	H(CC3)	107.5830	0.000	1	107.5830	0.000	1	107.5830	0.000	1	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	H(CC3)	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	H(CC3)	106.8095	0.128	2	106.8095	0.016	2	106.6277	0.758	6	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)2(OH)	H(CC3)	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)2(OH)	H(CC3)	107.0137	0.687	3	107.0137	0.472	3	106.6277	0.758	6	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	H(CC3)	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	H(CC3)	105.1060	0.000	1	105.1060	0.000	1	106.6277	0.758	6	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:C-2:	C-4:	C(CCCN)(CCHH)2(H)	C(NC[6]C)(CCCH)(CHHN)(CN)	H(CC3)	C(CCCN)(CCHH)2(H)	C(NC[6]C)(CCCH)(CHHN)(CN)	H(CC3)	103.6770	0.000	1	103.6770	0.000	1	103.6770	0.000	1	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	C[3]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	H(CC[3]CC)	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	H(CC[3]CC)	107.0980	0.059	2	107.0980	0.004	2	107.0980	0.004	2	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:2:	4:	N[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	H(CN[5]CC)	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	H(CN[5]CC)	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	106.6566	1.265	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	3:4:4:4:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(CC[6a]CC)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	H(CC3)	C(CC[6a]CC)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	H(CC3)	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	As-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	C(CAsCH)(H)3	H(CAsCC)	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	C(CAsCH)(H)3	H(CAsCC)	107.1495	0.066	2	107.1495	0.004	2	107.1495	0.004	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	C(CBCH)(H)3	H(CBCC)	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	C(CBCH)(H)3	H(CBCC)	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	C(CBHP)(H)3	H(CBCP)	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	C(CBHP)(H)3	H(CBCP)	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Br-1:Br-1:Br-1:	C-4:	C(CBr3)(CCHH)2(H)	C(CCCH)(Br)3	H(CC3)	C(CBr3)(CCHH)2(H)	C(CCCH)(Br)3	H(CC3)	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	H(CC3)	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	H(CC3)	107.6510	0.430	2	107.6510	0.185	2	107.4275	0.128	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:	C(CCHH)2(CCl3)(H)	C(CCCH)(Cl)3	H(CC3)	C(CCHH)2(CCl3)(H)	C(CCCH)(Cl)3	H(CC3)	107.2040	0.011	2	107.2040	0.000	2	107.4275	0.128	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CClHH)2(H)	C(CCCH)(Cl)(H)2	H(CC3)	C(CC[6a]HH)(CClHH)2(H)	C(CCCH)(Cl)(H)2	H(CC3)	107.1775	0.025	2	107.1775	0.001	2	107.2012	0.003	6	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C-4:	C(CClHH)2(CCCH)(H)	C(CCCH)(Cl)(H)2	H(CC3)	C(CClHH)2(CCCH)(H)	C(CCCH)(Cl)(H)2	H(CC3)	107.2130	0.063	4	107.2130	0.004	4	107.2012	0.003	6	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(F)3	H(CC3)	107.0000	0.000	1	107.0000	0.000	1	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(F)3	H(CC3)	107.5275	0.687	2	107.5275	0.471	2	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(F)3	H(CC3)	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(F)3	H(CC3)	108.0230	0.315	2	108.0230	0.099	2	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(F)3	H(CC3)	108.2457	0.287	3	108.2457	0.082	3	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)2(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CCHH)2(CF3)(H)	C(CCCH)(F)3	H(CC3)	105.9525	0.395	2	105.9525	0.156	2	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHN)(CF3)(CH3)(H)	C(CCCH)(F)3	H(CC3)	C(CCHN)(CF3)(CH3)(H)	C(CCCH)(F)3	H(CC3)	106.5170	0.000	1	106.5170	0.000	1	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHN)(CF3)2(H)	C(CCCH)(F)3	H(CC3)	C(CCHN)(CF3)2(H)	C(CCCH)(F)3	H(CC3)	107.6675	0.131	4	107.6675	0.017	4	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCCH)(F)3	H(CC3)	104.1460	0.000	1	104.1460	0.000	1	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CC[6a]CN)(CCHH)(CF3)(H)	C(CCCH)(F)3	H(CC3)	C(CC[6a]CN)(CCHH)(CF3)(H)	C(CCCH)(F)3	H(CC3)	106.5810	0.042	2	106.5810	0.002	2	107.1799	1.198	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:F-1:H-1:H-1:	C-4:	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(F)(H)2	H(CC3)	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(F)(H)2	H(CC3)	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAlHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CAlHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.4948	1.363	194	107.4948	1.859	194	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CB[4]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CB[4]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.0800	0.000	1	107.0800	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6930	0.000	1	107.6930	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.6910	0.000	2	109.6910	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CB[5]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CB[5]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7095	0.013	2	107.7095	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBeHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CBeHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1450	0.000	1	108.1450	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	110.0665	2.105	2	110.0665	4.431	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBrCH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CBrCH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.8520	0.000	1	109.8520	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC3)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.4237	0.846	16	106.4237	0.716	16	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCF)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCCF)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5330	0.025	2	107.5330	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.5315	2.840	2	106.5315	8.068	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.1193	1.149	3	107.1193	1.320	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6210	0.000	1	107.6210	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.5490	0.869	7	106.5490	0.756	7	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7467	1.442	140	107.7467	2.079	140	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6260	0.000	1	107.6260	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6470	0.000	1	107.6470	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	105.8987	0.299	3	105.8987	0.089	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.4037	0.894	3	108.4037	0.799	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCCN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.3459	1.504	32	107.3459	2.262	32	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.0345	0.132	2	106.0345	0.017	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCCO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.5899	1.229	33	106.5899	1.510	33	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.1840	0.000	1	106.1840	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCCS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9800	0.004	2	107.9800	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.5970	1.133	126	107.5970	1.284	126	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.3440	0.776	63	107.3440	0.602	63	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.2600	0.000	1	107.2600	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.5725	0.218	2	107.5725	0.048	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0235	0.293	2	108.0235	0.086	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0280	0.000	1	108.0280	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9619	1.346	1392	107.9619	1.813	1392	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.9506	0.916	8	107.9506	0.838	8	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.1174	3.997	19	109.1174	15.978	19	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.4462	0.488	5	108.4462	0.238	5	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0471	1.262	44	108.0471	1.593	44	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CF3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHN)(CF3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.5240	0.000	1	106.5240	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.6807	1.435	863	107.6807	2.061	863	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.8893	0.235	3	106.8893	0.055	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5969	1.382	115	107.5969	1.910	115	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.3813	0.970	6	107.3813	0.941	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6100	0.659	14	107.6100	0.434	14	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.2125	0.912	73	107.2125	0.832	73	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCHS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	105.9914	1.992	24	105.9914	3.969	24	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCSS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCSS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.5787	1.511	4	106.5787	2.283	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3,5]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[3,5]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1760	0.000	1	108.1760	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.1190	0.024	2	108.1190	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.8978	0.083	4	107.8978	0.007	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]CO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]CO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.0210	0.773	7	107.0210	0.597	7	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.9890	0.107	2	108.9890	0.012	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.8410	0.206	2	106.8410	0.043	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[3]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7946	0.259	8	107.7946	0.067	8	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.9195	0.593	8	108.9195	0.352	8	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3x6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[3x6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.2025	0.016	2	108.2025	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	105.4840	0.000	1	105.4840	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4,5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[4,5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7414	0.725	5	107.7414	0.525	5	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4,5]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[4,5]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7880	0.017	2	107.7880	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4,6]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[4,6]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.8895	0.043	2	107.8895	0.002	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[4]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9421	0.321	12	107.9421	0.103	12	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[4]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[4]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.4120	0.018	2	107.4120	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4580	0.124	6	108.4580	0.015	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5,6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5,6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.7410	0.541	4	108.7410	0.293	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.2290	0.000	1	107.2290	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]CC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.8632	0.020	4	106.8632	0.000	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.3277	0.545	12	107.3277	0.297	12	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]CoC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]CoC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.2305	0.015	2	108.2305	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]GdO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]GdO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.8407	0.818	6	108.8407	0.670	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	105.6090	0.000	1	105.6090	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HH)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.0190	0.000	1	107.0190	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.0820	0.928	4	109.0820	0.862	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0281	0.730	147	108.0281	0.533	147	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.7130	0.632	6	107.7130	0.399	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5341	0.690	7	107.5341	0.476	7	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.1450	0.000	1	107.1450	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.6520	0.524	4	107.6520	0.275	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.9540	0.000	1	107.9540	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9082	0.718	13	107.9082	0.516	13	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]HO)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]HO)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.6910	0.000	1	109.6910	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]TbO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]TbO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.7860	0.512	6	108.7860	0.262	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5]TmO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5]TmO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.3608	0.337	6	108.3608	0.113	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.8463	0.137	3	106.8463	0.019	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]CN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]CN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5340	0.014	2	107.5340	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CCCH)(H)3	H(CC3)	104.2350	0.000	1	104.2350	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9449	0.440	37	107.9449	0.194	37	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]HH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.5090	0.000	1	108.5090	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.9758	0.818	4	106.9758	0.670	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.9820	0.000	1	106.9820	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.4722	0.587	13	107.4722	0.345	13	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[5a]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[5a]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.3723	0.608	23	107.3723	0.369	23	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]CH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.4850	0.000	1	109.4850	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.2903	0.631	16	107.2903	0.398	16	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.2867	0.629	3	108.2867	0.396	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.4000	0.791	3	107.4000	0.625	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0183	0.476	80	108.0183	0.226	80	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7330	0.006	2	107.7330	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.9640	0.000	1	109.9640	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1397	0.652	26	108.1397	0.425	26	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HO)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6]HO)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.4250	0.000	1	109.4250	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]2C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1435	0.028	2	108.1435	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]2H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.2170	1.235	2	108.2170	1.524	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]2O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]2O)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.1105	0.029	2	108.1105	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CC)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.5915	0.586	2	106.5915	0.344	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5045	0.064	2	107.5045	0.004	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	109.0880	0.000	1	109.0880	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.9373	0.931	4	107.9373	0.867	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	103.8730	0.000	1	103.8730	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9659	0.549	30	107.9659	0.301	30	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.5095	0.658	11	107.5095	0.432	11	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.9440	0.000	1	107.9440	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]CO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.9732	0.875	10	106.9732	0.766	10	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[5]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]C[5]O)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5043	0.411	3	107.5043	0.169	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]C[6]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]C[6]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.6262	0.129	4	108.6262	0.017	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.4486	1.343	9	107.4486	1.802	9	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	105.5890	0.721	4	105.5890	0.519	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.5420	0.399	2	107.5420	0.159	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.4285	0.668	6	107.4285	0.447	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.7498	2.078	148	107.7498	4.317	148	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.5240	1.020	2	107.5240	1.040	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.9395	0.067	2	107.9395	0.005	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4543	0.894	24	108.4543	0.799	24	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.9150	0.000	1	108.9150	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HN)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.1965	0.361	2	107.1965	0.131	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CCCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.0680	0.000	1	108.0680	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.8757	0.758	3	106.8757	0.574	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.7805	0.578	2	108.7805	0.334	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.5960	4.394	2	108.5960	19.307	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.4370	0.000	1	106.4370	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0387	0.584	12	108.0387	0.341	12	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.1570	0.000	1	108.1570	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.9610	0.000	1	106.9610	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]HO)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	104.2180	0.000	1	104.2180	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.9475	0.223	2	107.9475	0.050	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.7360	0.000	1	107.7360	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCl2C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCl2C)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5275	0.043	2	107.5275	0.002	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CClCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CClCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.6325	0.243	4	108.6325	0.059	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCoHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCoHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.8310	0.000	1	108.8310	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCrHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CCrHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.3600	0.231	7	108.3600	0.053	7	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CFeHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CFeHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5820	0.049	2	107.5820	0.002	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CGeHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CGeHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0903	0.234	12	108.0903	0.055	12	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9898	1.601	353	107.9898	2.564	353	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CHHN)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.9965	0.194	4	108.9965	0.038	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CHHO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0868	1.607	292	108.0868	2.581	292	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CHHO)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	102.5690	0.000	1	102.5690	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CHHP)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1471	0.522	39	108.1471	0.273	39	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CHHS)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.2979	0.830	15	108.2979	0.689	15	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHNP)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CHNP)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	111.1490	2.287	2	111.1490	5.229	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHOO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CHOO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0165	0.364	6	108.0165	0.133	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHOP)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CHOP)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5395	0.015	2	107.5395	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CIn[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CIn[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9077	0.209	7	107.9077	0.043	7	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMgOO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CMgOO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.5030	0.025	2	106.5030	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMnOO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CMnOO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	109.6678	22.271	2	109.6678	496.012	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMoHO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CMoHO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.0867	0.214	4	108.0867	0.046	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CMoSiH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CMoSiH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.5065	0.013	2	107.5065	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1485	0.021	2	108.1485	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	107.9450	0.643	3	107.9450	0.413	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1706	0.551	19	108.1706	0.303	19	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]CH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]CH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.6160	0.000	1	106.6160	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.1743	0.436	6	108.1743	0.190	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9845	1.325	307	107.9845	1.757	307	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5a]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4446	0.452	5	108.4446	0.205	5	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]C[5]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5a]C[5]H)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.7690	0.031	2	106.7690	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.3590	0.257	4	108.3590	0.066	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[5a]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.6296	1.814	53	107.6296	3.289	53	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[6]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4051	1.796	18	108.4051	3.225	18	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CN[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1929	0.635	11	108.1929	0.403	11	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CN[6]HH)(CHHN)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.7220	0.569	3	108.7220	0.324	3	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNiCH)(CCFF)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CNiCH)(CCFF)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.8100	0.000	1	108.8100	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CNiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CNiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9475	0.012	2	107.9475	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CP[4]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CP[4]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9802	0.187	4	107.9802	0.035	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CP[6,6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CP[6,6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1326	0.143	10	108.1326	0.020	10	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CP[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CP[6]HH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1705	0.023	2	108.1705	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CPdHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CPdHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.6923	0.410	4	107.6923	0.168	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRuCC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CRuCC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9797	0.182	4	107.9797	0.033	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CRuCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CRuCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.4565	0.204	4	108.4565	0.042	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CS[6]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CS[6]CH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.1280	0.000	1	107.1280	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSeHH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CSeHH)2(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.4530	0.000	1	108.4530	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSiCC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CSiCC)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.9132	0.177	6	106.9132	0.031	6	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CSiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.9093	0.890	73	107.9093	0.792	73	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSiHW)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CSiHW)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	109.6180	1.648	2	109.6180	2.714	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CSnCH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CSnCH)(CHHO)(CH3)(H)	C(CCCH)(H)3	H(CC3)	106.8400	0.000	1	106.8400	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTa2C)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CTa2C)(CCHH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.7890	0.905	2	108.7890	0.819	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTa2C)(CTaCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	C(CTa2C)(CTaCH)(CH3)(H)	C(CCCH)(H)3	H(CC3)	108.9090	0.000	1	108.9090	0.000	1	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTaHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CTaHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.1445	0.025	2	107.1445	0.001	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CTiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.8460	0.013	2	107.8460	0.000	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZrHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CZrHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.1377	0.208	4	108.1377	0.043	4	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZrNN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CZrNN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	106.5465	0.050	2	106.5465	0.003	2	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZrNO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CZrNO)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	108.6138	0.388	14	108.6138	0.150	14	107.8314	2.001	5367	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:O-1:	C-4:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(H)2(O)	H(CC3)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(H)2(O)	H(CC3)	108.3053	0.829	3	108.3053	0.687	3	108.3053	0.687	3	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(CCHH)(CF3)(NH3)(H)	C(CCHN)(F)3	H(CCCN)	C(CCHH)(CF3)(NH3)(H)	C(CCHN)(F)3	H(CCCN)	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC3)(CH3)(NC3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC3)(CH3)(NC3)(H)	C(CCHN)(H)3	H(CCCN)	103.2870	3.654	2	103.2870	13.354	2	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	107.4345	0.074	2	107.4345	0.006	2	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	107.6762	2.030	10	107.6762	4.119	10	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]CH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	106.4190	0.000	1	106.4190	0.000	1	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HH)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	108.4868	2.619	14	108.4868	6.860	14	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NC3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NC3)(H)	C(CCHN)(H)3	H(CCCN)	106.8365	0.152	2	106.8365	0.023	2	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	108.0290	0.000	1	108.0290	0.000	1	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NC3)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NC3)(H)	C(CCHN)(H)3	H(CCCN)	104.3737	2.152	6	104.3737	4.630	6	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CH3)2(NH3)(H)	C(CCHN)(H)3	H(CCCN)	109.4335	2.746	32	109.4335	7.538	32	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	108.0734	2.704	29	108.0734	7.311	29	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5135	0.576	2	108.5135	0.332	2	108.1625	7.988	101	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CBHH)(CH3)(PC3)(H)	C(CCHP)(H)3	H(CCCP)	C(CBHH)(CH3)(PC3)(H)	C(CCHP)(H)3	H(CCCP)	106.3320	0.000	1	106.3320	0.000	1	107.1465	3.529	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(CH3)(PO3)(H)	C(CCHP)(H)3	H(CCCP)	C(CC[6a]HN)(CH3)(PO3)(H)	C(CCHP)(H)3	H(CCCP)	105.7850	0.000	1	105.7850	0.000	1	107.1465	3.529	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(PC3)(H)	C(CCHP)(H)3	H(CCCP)	C(CH3)2(PC3)(H)	C(CCHP)(H)3	H(CCCP)	106.4485	0.640	4	106.4485	0.410	4	107.1465	3.529	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)2(PO3)(H)	C(CCHP)(H)3	H(CCCP)	C(CH3)2(PO3)(H)	C(CCHP)(H)3	H(CCCP)	109.6305	2.582	2	109.6305	6.665	2	107.1465	3.529	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.3640	1.328	2	107.3640	1.763	2	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5548	0.327	17	108.5548	0.107	17	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.8990	0.679	2	108.8990	0.461	2	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	105.9900	0.000	1	105.9900	0.000	1	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5851	1.665	8	108.5851	2.773	8	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.2263	0.712	40	107.2263	0.507	40	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.3957	3.199	39	109.3957	10.234	39	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NCoCC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(NCoCC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.3752	1.796	5	107.3752	3.225	5	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NMoCC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(NMoCC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	105.7980	0.000	1	105.7980	0.000	1	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NNiCC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(NNiCC)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.7925	1.889	6	106.7925	3.568	6	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(NPdHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CC[6a]HO)(NPdHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5685	0.383	2	108.5685	0.146	2	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.1130	0.000	1	108.1130	0.000	1	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NCCV)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NCCV)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.3090	0.000	1	106.3090	0.000	1	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	109.2238	0.616	6	109.2238	0.379	6	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(NHHV)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHN)(NHHV)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	104.6950	2.824	2	104.6950	7.976	2	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5714	0.607	7	108.5714	0.369	7	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[5]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.1250	0.000	1	108.1250	0.000	1	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[6]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(CN[6]HH)(NCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.5648	0.285	12	107.5648	0.081	12	108.1486	4.219	153	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(NH3)(PO3)(H)	C(CHNP)(H)3	H(CCNP)	C(CH3)(NH3)(PO3)(H)	C(CHNP)(H)3	H(CCNP)	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	105.8020	0.000	1	105.8020	0.000	1	106.8463	1.710	3	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	108.3130	0.000	1	108.3130	0.000	1	106.8463	1.710	3	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CIrHH)(PIrCC)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(CIrHH)(PIrCC)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.4240	0.000	1	106.4240	0.000	1	106.8463	1.710	3	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCH)(SNOO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CCCH)(SNOO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	106.7510	0.000	1	106.7510	0.000	1	106.6303	2.115	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	103.2920	0.000	1	103.2920	0.000	1	106.6303	2.115	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	106.1320	0.000	1	106.1320	0.000	1	106.6303	2.115	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	106.6610	0.000	1	106.6610	0.000	1	106.6303	2.115	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	107.5515	0.009	4	107.5515	0.000	4	106.6303	2.115	8	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(CH3)2(H)	C(CC[3,3,5]CH)(H)3	H(CC[3,3,5]CC)	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(CH3)2(H)	C(CC[3,3,5]CH)(H)3	H(CC[3,3,5]CC)	107.9740	0.058	2	107.9740	0.003	2	107.9740	0.003	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	107.6460	0.000	1	107.6460	0.000	1	107.2625	0.396	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	108.2340	0.000	1	108.2340	0.000	1	107.2625	0.396	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	107.1980	0.000	1	107.1980	0.000	1	107.2625	0.396	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	C(C[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	107.2313	0.257	11	107.2313	0.066	11	107.2625	0.396	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	106.8997	0.494	11	106.8997	0.244	11	107.2625	0.396	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	C(CC[3,5]CH)(H)3	H(CC[3,5]CC)	108.7840	0.044	2	108.7840	0.002	2	107.2625	0.396	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	C(CC[3,5]C[6]H)(H)3	H(CC[3,5]C[6]C)	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	C(CC[3,5]C[6]H)(H)3	H(CC[3,5]C[6]C)	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	109.3765	7.249	2	109.3765	52.542	2	107.6328	9.590	10	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[3]C[6])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	C(C[3,6]C[3,6]C[3]C[6])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	107.2805	0.030	2	107.2805	0.001	2	107.6328	9.590	10	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	107.9180	4.895	2	107.9180	23.957	2	107.6328	9.590	10	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	H(CC[3,6]CC)	106.7945	0.412	4	106.7945	0.169	4	107.6328	9.590	10	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,5]C[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3,5]C[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	109.0095	0.054	2	109.0095	0.003	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.0905	1.829	2	108.0905	3.346	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.4560	0.181	4	108.4560	0.033	4	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,6]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3,6]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	109.2030	0.416	2	109.2030	0.173	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2C)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	107.4040	0.000	1	107.4040	0.000	1	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2F)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2F)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	107.3495	0.039	2	107.3495	0.002	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	107.4870	0.000	1	107.4870	0.000	1	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.8000	0.447	4	108.8000	0.199	4	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	107.1235	0.087	2	107.1235	0.008	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.7075	0.316	2	108.7075	0.100	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CHHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H)(CHHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.9620	0.000	1	108.9620	0.000	1	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]N[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]N[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.4890	0.144	3	108.4890	0.021	3	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]C)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	106.5678	0.353	4	106.5678	0.124	4	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	107.7640	0.000	1	107.7640	0.000	1	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	107.7950	0.000	1	107.7950	0.000	1	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.1777	0.591	3	108.1777	0.349	3	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.4045	0.927	2	108.4045	0.859	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	111.5150	0.000	1	111.5150	0.000	1	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.3195	0.910	4	108.3195	0.828	4	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	107.1110	0.000	1	107.1110	0.000	1	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]O[3]P[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]O[3]P[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	108.6035	0.022	2	108.6035	0.000	2	108.2132	0.994	45	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	C(CC[3]C[5]H)(H)3	H(CC[3]C[5]C)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	C(CC[3]C[5]H)(H)3	H(CC[3]C[5]C)	108.7590	0.321	2	108.7590	0.103	2	108.7590	0.103	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CC[3x5,6]CH)(H)3	H(CC[3x5,6]CC)	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CC[3x5,6]CH)(H)3	H(CC[3x5,6]CC)	107.4075	0.237	2	107.4075	0.056	2	107.4075	0.056	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	106.9183	0.076	4	106.9183	0.006	4	107.1361	0.097	15	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	107.2378	0.216	6	107.2378	0.046	6	107.1361	0.097	15	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	C(C[3x6]C[6,6]3)(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	107.3857	0.525	3	107.3857	0.275	3	107.1361	0.097	15	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	H(CC[3x6]CC)	106.8925	0.073	2	106.8925	0.005	2	107.1361	0.097	15	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[3x6]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(NNiCH)(CH3)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(NNiCH)(CH3)(H)	C(CC[3x6]HN)(H)3	H(CC[3x6]CN)	105.5660	0.000	1	105.5660	0.000	1	105.5660	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,5,5,3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(CC[4,5,5,3x6]CH)(H)3	H(CC[4,5,5,3x6]CC)	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(CC[4,5,5,3x6]CH)(H)3	H(CC[4,5,5,3x6]CC)	105.4340	0.000	1	105.4340	0.000	1	105.4340	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[4,6]N[5])(CH3)2(H)	C(CC[4,5]CH)(H)3	H(CC[4,5]CC)	C(C[4,5]C[4,5]C[4,6]N[5])(CH3)2(H)	C(CC[4,5]CH)(H)3	H(CC[4,5]CC)	108.2225	0.043	2	108.2225	0.002	2	108.0738	0.117	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4,5]C[4,5]C[5]O[4])(CH3)2(H)	C(CC[4,5]CH)(H)3	H(CC[4,5]CC)	C(C[4,5]C[4,5]C[5]O[4])(CH3)2(H)	C(CC[4,5]CH)(H)3	H(CC[4,5]CC)	107.9250	0.512	2	107.9250	0.262	2	108.0738	0.117	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	C(C[4]C[4]2H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	108.3860	0.000	1	108.3860	0.000	1	107.7327	3.620	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CHHN)(CH3)(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	C(C[4]C[4]2H)(CHHN)(CH3)(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	108.1700	0.000	1	108.1700	0.000	1	107.7327	3.620	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2N)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	C(C[4]C[4]2N)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	106.6192	0.073	4	106.6192	0.005	4	107.7327	3.620	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	C(C[4]C[4]N[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	105.4190	0.844	2	105.4190	0.713	2	107.7327	3.620	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]O[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	C(C[4]C[4]O[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	108.0257	2.680	11	108.0257	7.185	11	107.7327	3.620	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]P[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	C(C[4]C[4]P[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	108.3969	0.449	7	108.3969	0.202	7	107.7327	3.620	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CC[4]CH)(H)3	H(CC[4]CC)	107.8500	0.000	1	107.8500	0.000	1	107.7327	3.620	27	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4]-4:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4]C[4]2H)(SiC[6a]CC)(CH3)(H)	C(CC[4]SiH)(H)3	H(CC[4]SiC)	C(C[4]C[4]2H)(SiC[6a]CC)(CH3)(H)	C(CC[4]SiH)(H)3	H(CC[4]SiC)	104.5900	0.000	1	104.5900	0.000	1	104.5900	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C(CC[4x6]CH)(H)3	H(CC[4x6]CC)	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C(CC[4x6]CH)(H)3	H(CC[4x6]CC)	107.9005	0.126	4	107.9005	0.016	4	107.9005	0.016	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C(CC[5,3x6]CH)(H)3	H(CC[5,3x6]CC)	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C(CC[5,3x6]CH)(H)3	H(CC[5,3x6]CC)	106.5520	0.038	2	106.5520	0.001	2	106.5520	0.001	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	106.3110	0.520	3	106.3110	0.270	3	106.6306	0.469	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	107.2930	0.226	3	107.2930	0.051	3	106.6306	0.469	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	106.4803	0.886	3	106.4803	0.786	3	106.6306	0.469	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	106.0118	0.470	4	106.0118	0.221	4	106.6306	0.469	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	107.4600	0.040	2	107.4600	0.002	2	106.6306	0.469	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	H(CC[5,5,6]CC)	106.7505	0.043	2	106.7505	0.002	2	106.6306	0.469	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	107.6470	0.000	1	107.6470	0.000	1	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	108.2360	0.000	1	108.2360	0.000	1	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	106.6157	0.247	3	106.6157	0.061	3	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	107.0465	0.059	2	107.0465	0.003	2	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	107.5632	0.137	4	107.5632	0.019	4	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	107.8470	0.047	2	107.8470	0.002	2	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	106.1775	0.015	2	106.1775	0.000	2	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	C(CC[5,5]CH)(H)3	H(CC[5,5]CC)	107.9910	0.064	2	107.9910	0.004	2	107.3004	0.442	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C(CC[5,6,6]CH)(H)3	H(CC[5,6,6]CC)	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C(CC[5,6,6]CH)(H)3	H(CC[5,6,6]CC)	106.2750	0.033	2	106.2750	0.001	2	106.2750	0.001	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	108.0885	0.050	2	108.0885	0.003	2	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.1140	0.021	2	107.1140	0.000	2	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	108.2935	1.254	2	108.2935	1.572	2	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	108.3580	0.018	2	108.3580	0.000	2	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]2H)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	104.8062	5.426	4	104.8062	29.436	4	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	106.5540	0.028	4	106.5540	0.001	4	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	105.9080	0.000	1	105.9080	0.000	1	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	105.6142	2.047	10	105.6142	4.189	10	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	109.9040	0.000	1	109.9040	0.000	1	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.0695	0.032	2	107.0695	0.001	2	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.2417	1.018	12	107.2417	1.035	12	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.2594	0.185	5	107.2594	0.034	5	106.7753	4.263	47	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	106.8480	0.000	1	106.8480	0.000	1	105.9964	0.460	11	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	106.0066	0.701	8	106.0066	0.491	8	105.9964	0.460	11	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5]N[5]H)(CF3)2(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CF3)2(H)	C(CC[5]CH)(F)3	H(CC[5]CC)	105.5295	0.039	2	105.5295	0.002	2	105.9964	0.460	11	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.4780	1.344	4	108.4780	1.806	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.3672	0.636	4	106.3672	0.405	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.6250	0.000	1	106.6250	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[3,5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[3,5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5380	0.699	2	107.5380	0.488	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[3x5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[3x5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.1487	0.041	3	108.1487	0.002	3	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4825	0.037	2	107.4825	0.001	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0847	0.635	3	108.0847	0.403	3	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.1490	0.000	1	108.1490	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1370	0.014	2	107.1370	0.000	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5900	1.274	4	107.5900	1.624	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.2320	0.023	2	106.2320	0.001	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.0420	0.000	1	107.0420	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.7296	2.663	9	107.7296	7.090	9	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.5744	0.840	7	106.5744	0.706	7	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5405	0.005	2	107.5405	0.000	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	104.8190	0.000	1	104.8190	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.8150	0.000	1	106.8150	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.5570	1.246	2	108.5570	1.552	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.2917	1.023	4	108.2917	1.047	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.9998	0.420	4	107.9998	0.176	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0507	0.459	4	108.0507	0.211	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.6665	0.046	2	106.6665	0.002	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.9850	0.014	2	106.9850	0.000	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Fe)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]Fe)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.3447	0.391	22	108.3447	0.153	22	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.7674	1.093	302	107.7674	1.195	302	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.9378	0.776	5	107.9378	0.603	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.6260	0.000	1	108.6260	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4410	0.000	1	107.4410	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4750	0.000	1	107.4750	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0871	0.714	53	108.0871	0.510	53	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.3230	0.000	1	106.3230	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.6253	0.396	3	108.6253	0.157	3	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.3090	0.519	2	107.3090	0.269	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.3830	0.000	1	107.3830	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.9080	0.000	1	107.9080	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1540	0.000	1	107.1540	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Zr)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]C[5]Zr)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0588	1.097	115	108.0588	1.203	115	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5053	0.596	4	107.5053	0.355	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.2675	2.562	8	105.2675	6.563	8	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.7525	0.057	2	106.7525	0.003	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.2810	1.352	2	107.2810	1.828	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.2882	0.453	6	107.2882	0.205	6	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.5060	0.000	1	108.5060	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.2930	0.000	1	107.2930	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1420	0.000	1	107.1420	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6120	1.488	4	107.6120	2.213	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.5600	0.000	1	105.5600	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.7680	0.000	1	107.7680	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.1050	0.040	2	106.1050	0.002	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.8535	0.036	2	106.8535	0.001	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ca)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Ca)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.5392	2.846	16	105.5392	8.102	16	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Dy)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Dy)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	100.3672	1.624	9	100.3672	2.637	9	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.4650	0.518	2	108.4650	0.268	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.5276	0.825	40	106.5276	0.680	40	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6970	0.144	2	107.6970	0.021	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5855	0.032	2	107.5855	0.001	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Fe)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5115	1.696	75	107.5115	2.878	75	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1168	0.895	14	107.1168	0.802	14	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.9244	0.305	9	105.9244	0.093	9	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.1231	0.576	8	108.1231	0.332	8	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6162	0.651	50	107.6162	0.423	50	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.8660	0.526	5	107.8660	0.276	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	104.9425	0.204	2	104.9425	0.042	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2La)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2La)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1078	1.708	6	107.1078	2.917	6	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ni)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Ni)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.2034	0.973	104	107.2034	0.947	104	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.3575	1.985	2	106.3575	3.940	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.4100	0.000	1	106.4100	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.2130	0.000	1	106.2130	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Re)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Re)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6334	1.286	5	107.6334	1.654	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Rh)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Rh)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.0112	0.844	6	107.0112	0.713	6	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.9594	0.621	5	107.9594	0.386	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Sm)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Sm)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.2230	1.518	4	106.2230	2.305	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Tb)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Tb)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.1449	0.652	9	105.1449	0.425	9	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Ti)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Ti)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.4025	2.286	2	106.4025	5.226	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2U)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2U)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.3825	1.222	30	107.3825	1.494	30	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.0966	2.064	5	107.0966	4.260	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]2Zr)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6388	0.227	4	107.6388	0.051	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.2241	0.404	44	107.2241	0.163	44	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0410	1.815	7	108.0410	3.292	7	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5352	1.252	779	107.5352	1.568	779	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]Mo)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]Mo)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.2930	0.043	4	108.2930	0.002	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6050	0.000	1	107.6050	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.0040	0.000	1	107.0040	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.3576	0.697	5	107.3576	0.486	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1215	0.302	2	107.1215	0.091	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.5470	1.492	4	108.5470	2.227	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.7510	0.000	1	107.7510	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.5324	0.330	7	108.5324	0.109	7	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.7160	0.000	1	107.7160	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.1597	1.071	3	107.1597	1.146	3	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.8680	0.035	2	107.8680	0.001	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]P[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]P[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	108.0713	0.728	33	108.0713	0.531	33	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	106.9370	0.000	1	106.9370	0.000	1	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	109.1005	1.160	4	109.1005	1.346	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.9058	0.720	5	107.9058	0.518	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.5670	0.729	28	107.5670	0.531	28	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.4657	0.392	12	107.4657	0.154	12	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.3176	0.475	10	107.3176	0.226	10	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	105.0265	3.493	4	105.0265	12.203	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]N[5]S[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]N[5]S[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.6008	0.115	4	107.6008	0.013	4	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]O[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]O[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	107.3394	0.082	5	107.3394	0.007	5	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]O[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	C(C[5]O[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	H(CC[5]CC)	120.4120	0.413	2	120.4120	0.171	2	107.5159	1.951	1998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:I-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C(CC[5]CH)(H)2(I)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C(CC[5]CH)(H)2(I)	H(CC[5]CC)	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[3]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	C(CC[3]C[5]H)(H)3	H(CC[3]C[5]C)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	C(CC[3]C[5]H)(H)3	H(CC[3]C[5]C)	108.6390	0.304	2	108.6390	0.092	2	108.6390	0.092	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C(CC[5]2H)(H)3	H(CC[5]2C)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C(CC[5]2H)(H)3	H(CC[5]2C)	107.4140	0.151	2	107.4140	0.023	2	107.4090	0.134	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2H)2(CH3)(H)	C(CC[5]2H)(H)3	H(CC[5]2C)	C(C[5]C[5]2H)2(CH3)(H)	C(CC[5]2H)(H)3	H(CC[5]2C)	107.8400	0.000	1	107.8400	0.000	1	107.4090	0.134	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C(CC[5]2H)(H)3	H(CC[5]2C)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C(CC[5]2H)(H)3	H(CC[5]2C)	106.9680	0.000	1	106.9680	0.000	1	107.4090	0.134	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	107.0748	0.792	5	107.0748	0.627	5	107.1740	0.561	6	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	C(CC[5]C[6]H)(H)3	H(CC[5]C[6]C)	107.6700	0.000	1	107.6700	0.000	1	107.1740	0.561	6	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C(CC[5]HN)(F)3	H(CC[5]CN)	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C(CC[5]HN)(F)3	H(CC[5]CN)	106.3005	0.747	2	106.3005	0.559	2	106.3005	0.559	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.9520	0.000	1	107.9520	0.000	1	107.3508	0.690	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.4040	0.264	2	107.4040	0.070	2	107.3508	0.690	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	107.9575	0.736	2	107.9575	0.542	2	107.3508	0.690	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NPdCC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(NPdCC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	106.9975	0.195	4	106.9975	0.038	4	107.3508	0.690	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NRuCC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]2Fe)(NRuCC)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	106.8165	0.384	6	106.8165	0.147	6	107.3508	0.690	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	C(CC[5]HN)(H)3	H(CC[5]CN)	108.6995	1.621	2	108.6995	2.629	2	107.3508	0.690	17	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PAuCC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PAuCC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	104.7890	0.000	1	104.7890	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[3x6]PdC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[3x6]PdC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	105.8335	1.434	6	105.8335	2.056	6	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[3x6]PdH)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[3x6]PdH)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	106.2070	0.000	1	106.2070	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[3x6]PdO)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[3x6]PdO)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	107.6260	0.000	1	107.6260	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]2Ni)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]2Ni)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	104.5680	0.000	1	104.5680	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]2Pd)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]2Pd)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	105.6300	0.000	1	105.6300	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]2Ru)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]2Ru)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	104.4593	1.166	3	104.4593	1.360	3	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]AuC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]AuC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	107.0570	0.515	2	107.0570	0.265	2	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	106.7610	1.048	4	106.7610	1.098	4	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6]ReC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6]ReC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	105.1593	0.811	4	105.1593	0.657	4	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	107.6880	0.000	1	107.6880	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	107.0278	1.031	5	107.0278	1.064	5	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Pt)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2Pt)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	107.0290	0.228	2	107.0290	0.052	2	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Rh)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2Rh)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	106.0570	1.899	2	106.0570	3.607	2	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	107.2468	0.860	14	107.2468	0.740	14	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PFeCC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PFeCC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	105.1870	0.000	1	105.1870	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PPdCC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	C(C[5]C[5]2Fe)(PPdCC)(CH3)(H)	C(CC[5]HP)(H)3	H(CC[5]CP)	104.4970	0.000	1	104.4970	0.000	1	106.3826	1.728	50	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	C(CC[5]HS)(H)3	H(CC[5]CS)	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	C(CC[5]HS)(H)3	H(CC[5]CS)	107.3380	0.000	1	107.3380	0.000	1	107.3380	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	107.9200	0.068	3	107.9200	0.005	3	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	107.5030	0.000	1	107.5030	0.000	1	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	107.9620	0.000	1	107.9620	0.000	1	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	107.5900	0.035	2	107.5900	0.001	2	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	108.1760	0.883	6	108.1760	0.780	6	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	107.1410	0.006	2	107.1410	0.000	2	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	107.3195	0.008	2	107.3195	0.000	2	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	H(CC[6,6]CC)	106.9650	0.024	2	106.9650	0.001	2	107.7006	0.419	19	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:D-1:D-1:D-1:	C-4:	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	C(CC[6]CH)(D)3	H(CC[6]CC)	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	C(CC[6]CH)(D)3	H(CC[6]CC)	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C(CC[6]CH)(F)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C(CC[6]CH)(F)3	H(CC[6]CC)	104.8660	0.000	1	104.8660	0.000	1	104.8660	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]B[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]B[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.1287	0.459	4	107.1287	0.211	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]B[6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]B[6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.3475	0.075	4	107.3475	0.006	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	105.8700	0.000	1	105.8700	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.7810	0.466	22	107.7810	0.217	22	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[3,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.1970	0.168	3	106.1970	0.028	3	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3x6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[3x6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9240	0.000	1	107.9240	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8280	0.000	1	107.8280	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[3x6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[3x6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.0335	0.050	2	108.0335	0.003	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8380	0.000	1	107.8380	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[4,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[4,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.0060	0.033	2	108.0060	0.001	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.9045	0.012	2	106.9045	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.2940	0.013	2	107.2940	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.8893	0.267	4	106.8893	0.071	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.4545	0.971	4	107.4545	0.942	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.3011	0.769	80	107.3011	0.592	80	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.2792	0.329	4	107.2792	0.108	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	114.3470	0.000	1	114.3470	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8487	0.352	3	107.8487	0.124	3	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.7064	0.695	7	107.7064	0.483	7	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9615	1.818	4	107.9615	3.303	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.8270	0.000	1	109.8270	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	105.4804	2.389	9	105.4804	5.709	9	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.4063	1.343	68	107.4063	1.803	68	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8810	0.001	2	107.8810	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9975	0.012	2	107.9975	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0317	0.092	3	107.0317	0.008	3	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8697	0.568	6	107.8697	0.322	6	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]2O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]2O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	104.8800	2.037	4	104.8800	4.150	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.8570	0.771	14	106.8570	0.594	14	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.3610	0.609	18	107.3610	0.371	18	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.4970	0.052	2	106.4970	0.003	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.1248	0.253	4	107.1248	0.064	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.8690	0.017	2	106.8690	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.1100	0.000	1	106.1100	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.6995	0.912	24	106.6995	0.831	24	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.2420	0.000	1	107.2420	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.6508	1.263	4	107.6508	1.594	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.8510	0.070	4	106.8510	0.005	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9620	0.291	6	107.9620	0.084	6	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.5400	1.253	2	106.5400	1.570	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0810	0.011	2	107.0810	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8035	0.066	2	107.8035	0.004	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.6186	0.840	7	106.6186	0.706	7	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.1825	0.781	20	107.1825	0.611	20	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ca)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Ca)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.6910	0.175	8	107.6910	0.031	8	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Co)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Co)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.7450	0.195	16	107.7450	0.038	16	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cr)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Cr)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9646	0.639	10	107.9646	0.408	10	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cu)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Cu)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5923	0.127	4	107.5923	0.016	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	110.4685	0.824	4	110.4685	0.679	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Fe)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Fe)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9816	0.307	18	107.9816	0.094	18	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0017	1.231	14	107.0017	1.515	14	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.9630	0.000	1	106.9630	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.7410	0.000	1	108.7410	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0799	1.214	688	107.0799	1.473	688	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.8707	0.840	13	106.8707	0.706	13	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ir)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Ir)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.2101	0.922	14	108.2101	0.850	14	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Li)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Li)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.7075	0.431	4	107.7075	0.186	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Mo)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Mo)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9085	0.866	50	107.9085	0.749	50	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2N)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2N)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.9800	0.186	4	106.9800	0.035	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ni)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Ni)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8627	0.396	7	107.8627	0.157	7	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	104.4490	0.277	2	104.4490	0.077	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2O)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0385	0.865	20	107.0385	0.747	20	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Os)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Os)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5301	2.311	128	107.5301	5.340	128	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Pd)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Pd)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9977	0.276	8	107.9977	0.076	8	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Rh)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Rh)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.4718	0.105	4	107.4718	0.011	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	103.6220	0.000	1	103.6220	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Ru)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Ru)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5839	1.407	1411	107.5839	1.979	1411	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Sm)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Sm)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.4981	0.373	11	107.4981	0.139	11	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2W)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2W)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8724	0.179	5	107.8724	0.032	5	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2Yb)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]2Yb)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.4330	0.075	6	107.4330	0.006	6	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5720	0.000	1	107.5720	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.2214	0.835	10	107.2214	0.697	10	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.2080	0.000	1	107.2080	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8198	1.211	57	107.8198	1.466	57	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]S)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]N[6]S)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.1325	0.066	2	106.1325	0.004	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.0020	0.031	2	107.0020	0.001	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.5754	0.995	8	107.5754	0.990	8	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.0203	2.183	3	109.0203	4.765	3	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.6530	0.000	1	108.6530	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	109.0900	0.000	1	109.0900	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	103.6770	0.000	1	103.6770	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.7857	1.062	42	107.7857	1.128	42	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8189	0.839	9	107.8189	0.703	9	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.9420	0.000	1	107.9420	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.5093	0.455	3	106.5093	0.207	3	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.6203	0.721	16	107.6203	0.520	16	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.3190	0.016	2	108.3190	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]N[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.1868	0.286	10	108.1868	0.082	10	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]N[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.8715	0.270	4	107.8715	0.073	4	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]N[6]P[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]N[6]P[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.5950	0.018	2	108.5950	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]O[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]O[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.3206	0.322	8	108.3206	0.104	8	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.4670	0.000	1	106.4670	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	106.9370	0.000	1	106.9370	0.000	1	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	107.2155	0.026	2	107.2155	0.001	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]S[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	C(C[6]S[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	H(CC[6]CC)	108.1380	0.017	2	108.1380	0.000	2	107.4420	1.842	3002	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]2H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	108.0907	1.677	4	108.0907	2.813	4	108.3876	2.550	5	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	C(CC[6]HN)(H)3	H(CC[6]CN)	109.5750	0.000	1	109.5750	0.000	1	108.3876	2.550	5	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)2(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	C(C[6]C[6]O[6]H)2(CH3)(H)	C(CC[6]2H)(H)3	H(CC[6]2C)	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:Si-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C(CC[6]SiH)(H)3	H(CC[6]SiC)	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	C(CC[6]SiH)(H)3	H(CC[6]SiC)	105.9970	0.107	2	105.9970	0.012	2	105.9970	0.012	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ga-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GaCSS)(CH3)2(H)	C(CGaCH)(H)3	H(CGaCC)	C(GaCSS)(CH3)2(H)	C(CGaCH)(H)3	H(CGaCC)	107.6204	0.120	7	107.6204	0.014	7	107.6204	0.014	7	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ga[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(CGa[6,6]CH)(H)3	H(CGa[6,6]CC)	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(CGa[6,6]CH)(H)3	H(CGa[6,6]CC)	107.1869	0.636	16	107.1869	0.404	16	107.1869	0.404	16	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ga[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ga[6]N[6]2Te)(CH3)2(H)	C(CGa[6]CH)(H)3	H(CGa[6]CC)	C(Ga[6]N[6]2Te)(CH3)2(H)	C(CGa[6]CH)(H)3	H(CGa[6]CC)	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ge-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeC3)(CH3)2(H)	C(CGeCH)(H)3	H(CGeCC)	C(GeC3)(CH3)2(H)	C(CGeCH)(H)3	H(CGeCC)	107.9262	0.492	51	107.9262	0.242	51	107.5328	0.522	79	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ge-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeGeCC)(CH3)2(H)	C(CGeCH)(H)3	H(CGeCC)	C(GeGeCC)(CH3)2(H)	C(CGeCH)(H)3	H(CGeCC)	106.7613	0.459	26	106.7613	0.211	26	107.5328	0.522	79	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ge-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeSiCC)(CH3)2(H)	C(CGeCH)(H)3	H(CGeCC)	C(GeSiCC)(CH3)2(H)	C(CGeCH)(H)3	H(CGeCC)	107.5295	0.069	2	107.5295	0.005	2	107.5328	0.522	79	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ge[5]N[5]2Cd)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	C(Ge[5]N[5]2Cd)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	105.8888	2.373	6	105.8888	5.631	6	105.9059	1.862	28	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ge[5]N[5]2Pt)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	C(Ge[5]N[5]2Pt)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	105.7633	1.155	16	105.7633	1.335	16	105.9059	1.862	28	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ge[5]N[5]2Se)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	C(Ge[5]N[5]2Se)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	106.3665	0.084	2	106.3665	0.007	2	105.9059	1.862	28	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ge[5]N[5]2Zn)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	C(Ge[5]N[5]2Zn)(CH3)2(H)	C(CGe[5]CH)(H)3	H(CGe[5]CC)	106.2715	0.519	4	106.2715	0.269	4	105.9059	1.862	28	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	In-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(InCSS)(CH3)2(H)	C(CInCH)(H)3	H(CInCC)	C(InCSS)(CH3)2(H)	C(CInCH)(H)3	H(CInCC)	107.7927	0.350	4	107.7927	0.123	4	107.7927	0.123	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	In[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(In[6]N[6]2I)(CH3)2(H)	C(CIn[6]CH)(H)3	H(CIn[6]CC)	C(In[6]N[6]2I)(CH3)2(H)	C(CIn[6]CH)(H)3	H(CIn[6]CC)	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NAl2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NAl2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	105.0763	0.134	3	105.0763	0.018	3	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3375	0.393	18	107.3375	0.154	18	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NBHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NBHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4070	0.024	2	108.4070	0.001	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NB[6]PdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NB[6]PdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.6238	0.509	4	106.6238	0.259	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NBa2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NBa2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.7028	0.077	4	108.7028	0.006	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.6429	1.691	95	107.6429	2.860	95	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.7845	1.063	351	108.7845	1.130	351	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[4]CH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[4]CH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9535	0.703	4	107.9535	0.494	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]HH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]HH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.5867	0.055	4	108.5867	0.003	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]NiH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]NiH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.2945	0.424	2	108.2945	0.179	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.8070	0.190	2	108.8070	0.036	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]BH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]BH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.8838	0.041	4	107.8838	0.002	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.4670	0.000	2	106.4670	0.000	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]CH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]CH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.4907	0.028	4	107.4907	0.001	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.5760	0.000	1	107.5760	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.1225	0.047	2	108.1225	0.002	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCdCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCdCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.3470	1.290	2	108.3470	1.663	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.3210	0.216	4	107.3210	0.046	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.1370	0.291	6	107.1370	0.085	6	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCC)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCC)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.6510	0.000	1	107.6510	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	110.5538	3.763	5	110.5538	14.164	5	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCoCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.9540	0.114	8	106.9540	0.013	8	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCoHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.9810	1.361	3	106.9810	1.853	3	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCrCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCrCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.2683	1.982	10	108.2683	3.929	10	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCrCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCrCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.4539	0.401	14	108.4539	0.161	14	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCrHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCrHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4387	0.533	4	108.4387	0.284	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCuCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.4960	0.372	2	106.4960	0.138	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NCuCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.1807	0.707	60	107.1807	0.500	60	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCuCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.7243	0.924	9	108.7243	0.854	9	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCuCH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5880	0.328	2	108.5880	0.108	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NCuHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NCuHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	104.4208	5.525	11	104.4208	30.527	11	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NFeCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.0458	0.240	25	107.0458	0.058	25	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NFeCC)(CHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.9760	0.000	1	106.9760	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NFeCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5610	0.281	3	108.5610	0.079	3	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NIr2C)(CHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NIr2C)(CHHO)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	105.1530	0.000	1	105.1530	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NIrCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NIrCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.1580	0.632	8	107.1580	0.399	8	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLi2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NLi2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.5397	0.539	11	108.5397	0.290	11	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLi2P)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NLi2P)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.9835	0.078	2	107.9835	0.006	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLiCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NLiCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.6384	0.509	13	106.6384	0.259	13	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLiMgC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NLiMgC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.4467	1.164	13	106.4467	1.355	13	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLiNdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NLiNdC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.6351	0.213	11	108.6351	0.045	11	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMg2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMg2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5301	1.201	14	107.5301	1.444	14	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMgCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMgCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4935	0.695	4	108.4935	0.484	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NMnCC)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.2910	0.000	1	106.2910	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMnHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NMnHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.7033	0.507	3	107.7033	0.257	3	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NMoSiH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NMoSiH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	109.4565	1.667	2	109.4565	2.778	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.0345	0.312	4	107.0345	0.097	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNiCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.0769	0.289	18	107.0769	0.084	18	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.1455	0.427	73	108.1455	0.182	73	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NNiCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.9640	1.325	4	106.9640	1.756	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiCH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.1290	0.221	2	108.1290	0.049	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NNiHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	105.8547	5.098	18	105.8547	25.989	18	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPd2P)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NPd2P)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5079	0.177	16	107.5079	0.031	16	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NPdCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.1633	0.558	28	107.1633	0.312	28	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NPdCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.8260	0.000	1	106.8260	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPdCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NPdCH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.5276	0.276	8	107.5276	0.076	8	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPtCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NPtCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.8080	2.935	3	107.8080	8.611	3	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NPtHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NPtHH)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.3438	0.690	4	107.3438	0.477	4	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRhCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NRhCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	107.0960	0.406	8	107.0960	0.164	8	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRhCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NRhCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.4825	0.199	2	108.4825	0.039	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRu2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NRu2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.1702	0.897	17	108.1702	0.805	17	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRuCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NRuCH)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	110.7190	0.000	1	110.7190	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NRuHH)(CHHP)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NRuHH)(CHHP)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	107.6205	0.289	2	107.6205	0.084	2	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NSr2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NSr2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	108.4790	0.062	3	108.4790	0.004	3	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZn2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NZn2C)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	109.0319	0.484	15	109.0319	0.234	15	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NZnCC)(CCHH)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.8770	0.000	1	106.8770	0.000	1	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	C(NZnCC)(CH3)2(H)	C(CCHN)(H)3	H(CCCN)	106.5260	0.616	12	106.5260	0.379	12	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NZnHH)(CHHN)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	108.5460	0.488	3	108.5460	0.238	3	107.9826	2.519	998	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CN[3,5]CH)(H)3	H(CN[3,5]CC)	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CN[3,5]CH)(H)3	H(CN[3,5]CC)	106.4000	0.000	1	106.4000	0.000	1	106.4000	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	C(CN[5,5]CH)(H)3	H(CN[5,5]CC)	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	C(CN[5,5]CH)(H)3	H(CN[5,5]CC)	108.6795	0.012	2	108.6795	0.000	2	108.6795	0.000	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.8860	0.000	1	106.8860	0.000	1	107.1833	0.592	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	108.3330	0.000	1	108.3330	0.000	1	107.1833	0.592	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[5]C[5]O[5]C)(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	C(N[5]C[5]O[5]C)(CH3)2(H)	C(CN[5]CH)(H)3	H(CN[5]CC)	106.7570	0.033	2	106.7570	0.001	2	107.1833	0.592	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]B[6]C[6]C)(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]B[6]C[6]C)(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	106.3870	0.185	4	106.3870	0.034	4	106.4713	7.060	13	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2C)(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2C)(CH3)2(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	105.4253	0.077	8	105.4253	0.006	8	106.4713	7.060	13	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	H(CN[6]CC)	115.1770	0.000	1	115.1770	0.000	1	106.4713	7.060	13	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	O-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OLiZn2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OLiZn2)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.1594	0.144	5	108.1594	0.021	5	108.1290	0.017	11	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	O-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OTi3)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OTi3)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.0637	0.137	4	108.0637	0.019	4	108.1290	0.017	11	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	O-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(OZn3)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	C(OZn3)(CH3)2(H)	C(CCHO)(H)3	H(CCCO)	108.1835	0.021	2	108.1835	0.000	2	108.1290	0.017	11	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PAgCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PAgCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9896	1.421	7	106.9896	2.019	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PAlCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PAlCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7479	0.520	8	107.7479	0.271	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PAsCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PAsCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8842	1.009	4	106.8842	1.018	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PAsCW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PAsCW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.0659	0.442	8	106.0659	0.195	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PAuCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PAuCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4943	1.695	13	107.4943	2.875	13	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.1793	1.250	18	108.1793	1.561	18	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5706	0.747	21	107.5706	0.558	21	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2805	1.351	4	107.2805	1.825	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0738	0.477	11	107.0738	0.228	11	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1261	1.137	12	107.1261	1.292	12	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCI)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCI)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.7595	0.955	17	106.7595	0.912	17	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0991	1.010	86	107.0991	1.020	86	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4752	1.285	12	107.4752	1.651	12	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	109.0347	2.282	6	109.0347	5.206	6	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0007	1.576	34	107.0007	2.483	34	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2882	1.247	32	107.2882	1.556	32	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.3393	2.522	113	105.3393	6.359	113	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.9576	0.987	8	107.9576	0.973	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCII)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCII)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5386	0.975	10	107.5386	0.950	10	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCIN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCIN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2392	0.736	4	107.2392	0.542	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4257	1.561	10	107.4257	2.438	10	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0342	0.652	26	108.0342	0.425	26	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCNP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCNP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.7647	0.447	4	105.7647	0.200	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1755	1.325	376	107.1755	1.754	376	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCNV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCNV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.6587	0.464	4	108.6587	0.215	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCNW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCNW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8130	3.137	7	106.8130	9.840	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCOW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCOW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0835	1.375	8	107.0835	1.890	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCPW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCPW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.5427	1.496	8	106.5427	2.237	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0993	1.199	10	107.0993	1.439	10	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[3x3,3x5,12x6]AuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[3x3,3x5,12x6]AuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4255	1.122	8	107.4255	1.259	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.4142	1.471	4	106.4142	2.163	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[3x3,4,3x5,14x6]AgC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[3x3,4,3x5,14x6]AgC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7498	1.722	15	107.7498	2.965	15	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[3x3,4,3x5,14x6]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[3x3,4,3x5,14x6]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.6227	1.711	3	106.6227	2.929	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[3x3,4,3x5,14x6]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[3x3,4,3x5,14x6]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.9915	0.436	8	105.9915	0.190	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[4,4]CS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[4,4]CS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.3395	1.121	8	106.3395	1.256	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]AuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]AuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5410	1.067	16	107.5410	1.138	16	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]CC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]CC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	104.9405	1.779	4	104.9405	3.163	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9683	1.131	66	106.9683	1.279	66	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5866	1.120	38	107.5866	1.255	38	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]CW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]CW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0528	0.525	4	107.0528	0.276	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]CoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]CoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6077	1.255	4	107.6077	1.575	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6428	2.375	8	107.6428	5.642	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]FeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]FeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7518	0.720	8	107.7518	0.518	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0831	0.664	37	107.0831	0.441	37	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]MnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]MnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.9059	3.585	8	105.9059	12.849	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]MoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]MoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.7922	0.374	4	106.7922	0.140	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.3910	0.247	7	105.3910	0.061	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8717	0.936	58	106.8717	0.877	58	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1357	0.623	29	107.1357	0.389	29	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]ReC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]ReC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.4432	0.988	23	106.4432	0.976	23	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2694	1.113	56	107.2694	1.239	56	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9370	1.152	119	106.9370	1.328	119	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2352	0.907	51	107.2352	0.823	51	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5a]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2248	1.032	75	107.2248	1.066	75	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.5721	0.685	8	106.5721	0.469	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.4314	1.611	23	108.4314	2.597	23	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6715	1.172	4	107.6715	1.373	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5a]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3050	0.240	3	107.3050	0.058	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8116	0.380	7	107.8116	0.145	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]CY)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]CY)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.3361	1.068	7	106.3361	1.140	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]FeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]FeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.2604	0.913	8	106.2604	0.834	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8659	0.669	15	107.8659	0.448	15	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8410	1.208	4	106.8410	1.458	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]ScC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]ScC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6433	1.507	3	107.6433	2.272	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]TiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]TiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7448	4.139	18	107.7448	17.130	18	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6]ZrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6]ZrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	104.5605	2.438	4	104.5605	5.942	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2B)(CBHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2B)(CBHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.5940	0.000	1	107.5940	0.000	1	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2B)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2B)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	109.0425	0.389	6	109.0425	0.151	6	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.9920	0.383	2	106.9920	0.147	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Co)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Co)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0425	0.067	4	107.0425	0.004	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.1695	0.926	2	107.1695	0.857	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.7499	1.585	8	106.7499	2.513	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Cu)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Cu)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8600	0.383	4	106.8600	0.147	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Fe)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.1590	0.076	2	106.1590	0.006	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Fe)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.7721	0.662	14	107.7721	0.439	14	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Ir)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.3823	0.708	3	107.3823	0.501	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.6195	1.978	2	106.6195	3.912	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Mo)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Mo)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	102.9455	0.022	2	102.9455	0.000	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.0065	0.148	2	107.0065	0.022	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	109.5030	0.000	1	109.5030	0.000	1	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2O)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2O)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0660	0.325	3	108.0660	0.106	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	104.4228	0.301	4	104.4228	0.091	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.9588	0.850	6	106.9588	0.723	6	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Pd)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.5180	0.054	2	105.5180	0.003	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Pd)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	108.0400	0.895	6	108.0400	0.802	6	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.0100	1.041	2	107.0100	1.083	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Pt)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Pt)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.3270	0.025	2	106.3270	0.001	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Rh)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.6400	0.252	3	107.6400	0.064	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	105.4535	1.225	6	105.4535	1.501	6	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	105.9951	1.954	16	105.9951	3.819	16	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Ru)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3558	0.421	4	107.3558	0.177	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2Ru)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.5075	1.607	8	106.5075	2.582	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	107.8420	0.288	2	107.8420	0.083	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.3795	1.468	4	106.3795	2.156	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]3)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]3)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4342	1.356	6	107.4342	1.839	6	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]AgC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]AgC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1583	1.299	22	107.1583	1.689	22	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]AlC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]AlC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8269	1.170	54	107.8269	1.368	54	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]AuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]AuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3812	0.950	73	107.3812	0.903	73	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3240	1.161	9	107.3240	1.349	9	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8174	0.647	28	106.8174	0.419	28	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.1036	0.853	22	108.1036	0.728	22	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7415	1.522	41	107.7415	2.317	41	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0251	0.792	73	108.0251	0.628	73	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4821	1.081	31	107.4821	1.168	31	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8757	0.860	23	106.8757	0.739	23	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CY)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CY)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0214	0.735	8	108.0214	0.541	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	111.7580	0.000	1	111.7580	0.000	1	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2865	1.153	263	107.2865	1.329	263	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8327	0.885	19	107.8327	0.784	19	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6893	1.003	111	107.6893	1.006	111	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]FeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]FeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1432	0.991	536	107.1432	0.982	536	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]HfC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]HfC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7033	0.887	3	107.7033	0.788	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2110	1.062	531	107.2110	1.127	531	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]IrC)(CIrHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]IrC)(CIrHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	108.0030	0.000	1	108.0030	0.000	1	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]MnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]MnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.9741	1.281	14	107.9741	1.641	14	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]MoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]MoC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0517	1.146	152	107.0517	1.312	152	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5561	1.046	675	107.5561	1.095	675	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]OO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]OO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.5370	0.007	2	108.5370	0.000	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]OsC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]OsC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9415	2.047	146	106.9415	4.191	146	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PbC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]PbC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0060	0.908	7	108.0060	0.825	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3570	1.013	717	107.3570	1.025	717	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]PdC)(CHHP)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	106.9923	0.255	3	106.9923	0.065	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PdF)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]PdF)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.5635	0.193	2	106.5635	0.037	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PdO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]PdO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.7225	0.030	2	106.7225	0.001	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0250	1.119	194	107.0250	1.253	194	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]ReC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]ReC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1789	0.754	15	107.1789	0.569	15	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]RhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2595	1.103	290	107.2595	1.216	290	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9754	0.973	106	106.9754	0.947	106	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]ScC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]ScC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.9890	0.560	4	107.9890	0.314	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0327	0.252	23	108.0327	0.064	23	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]SnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]SnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7820	0.749	27	107.7820	0.561	27	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]TeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]TeC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.3775	0.315	8	108.3775	0.099	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]TiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]TiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.9554	1.350	22	107.9554	1.823	22	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]ZnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]ZnC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2730	1.434	40	107.2730	2.056	40	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PClCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PClCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5482	1.159	4	107.5482	1.342	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PClRhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PClRhC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3060	0.609	4	107.3060	0.371	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCoCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.7671	1.343	412	106.7671	1.802	412	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCoCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6484	2.834	134	107.6484	8.029	134	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.2292	1.585	52	106.2292	2.513	52	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7585	1.245	28	107.7585	1.550	28	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCuCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCuCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9369	1.650	216	106.9369	2.722	216	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCuCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCuCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.3276	1.907	24	108.3276	3.638	24	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCuCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCuCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.2010	1.120	8	108.2010	1.254	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PFeCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PFeCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.5798	1.783	461	106.5798	3.179	461	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PFeCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PFeCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6971	1.558	234	107.6971	2.426	234	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PFeCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PFeCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.7076	1.285	102	106.7076	1.651	102	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PGaCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PGaCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6448	0.079	4	107.6448	0.006	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIn[5]CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PIn[5]CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0039	0.527	7	107.0039	0.278	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIr2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PIr2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.6848	2.061	8	108.6848	4.247	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PIrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.3464	1.491	587	106.3464	2.222	587	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PIrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7657	0.785	55	107.7657	0.616	55	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIrCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PIrCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4779	0.892	157	107.4779	0.796	157	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PIrCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PIrCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0787	0.521	8	108.0787	0.272	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PLiCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PLiCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5363	1.329	32	107.5363	1.767	32	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMgCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMgCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6650	0.979	8	107.6650	0.958	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMnCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMnCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.6496	0.934	130	106.6496	0.873	130	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMoCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.6605	1.850	79	105.6605	3.422	79	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMoCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1717	0.775	72	107.1717	0.601	72	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMoCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1175	1.561	8	107.1175	2.437	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMoCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.4470	1.420	7	106.4470	2.017	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PMoSiH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PMoSiH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1775	0.023	2	107.1775	0.001	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[5a]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[5a]CuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	109.0222	0.490	4	109.0222	0.240	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0123	0.584	11	107.0123	0.342	11	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9317	0.304	7	106.9317	0.092	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2502	0.854	4	107.2502	0.730	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9254	0.551	14	106.9254	0.304	14	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[6]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[6]IrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.1017	0.251	3	108.1017	0.063	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[6]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[6]NiC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8192	0.211	4	106.8192	0.044	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PN[6]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PN[6]PdC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.6977	0.733	8	105.6977	0.538	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNi2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PNi2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6607	0.605	3	107.6607	0.366	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNiCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PNiCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1562	1.145	1464	107.1562	1.312	1464	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PNiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5264	2.202	183	107.5264	4.850	183	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNiCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PNiCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7080	0.661	654	107.7080	0.438	654	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNiCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PNiCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5953	0.154	7	107.5953	0.024	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(POsCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(POsCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.9422	1.132	1239	105.9422	1.281	1239	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPd2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPd2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9165	0.371	2	106.9165	0.138	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPdCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9456	1.139	373	106.9456	1.297	373	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPdCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7573	0.684	67	107.7573	0.468	67	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPdCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8179	1.085	195	107.8179	1.177	195	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdNN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPdNN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.9385	0.008	2	107.9385	0.000	2	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPt2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPt2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9323	0.694	3	106.9323	0.482	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPtCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPtCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1976	0.977	429	107.1976	0.955	429	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPtCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPtCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4339	0.596	22	107.4339	0.355	22	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPtCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPtCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2313	1.521	32	107.2313	2.312	32	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPtCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPtCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.0770	0.011	3	108.0770	0.000	3	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PReCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PReCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.3570	1.024	66	106.3570	1.049	66	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PReCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PReCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6309	1.762	7	107.6309	3.104	7	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PReCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PReCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3756	0.900	16	107.3756	0.809	16	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRhCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8112	1.777	502	106.8112	3.157	502	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRhCH)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.3637	0.622	4	106.3637	0.386	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRhCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.1008	1.151	4	108.1008	1.326	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRhCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1883	0.947	107	107.1883	0.897	107	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRhCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRhCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5312	0.537	8	107.5312	0.289	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRuCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.1204	1.551	876	106.1204	2.405	876	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRuCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.2750	1.250	143	106.2750	1.563	143	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRuCO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8077	0.926	137	106.8077	0.858	137	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRuCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.7573	0.534	11	106.7573	0.285	11	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PScCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PScCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8703	1.149	9	106.8703	1.321	9	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PScCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PScCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.4472	0.249	8	108.4472	0.062	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSe2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSe2C)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8710	0.318	6	107.8710	0.101	6	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8176	1.691	61	106.8176	2.858	61	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4486	0.846	206	107.4486	0.715	206	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	108.3470	0.000	1	108.3470	0.000	1	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSnCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSnCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4123	1.417	24	107.4123	2.007	24	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PTeCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PTeCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5193	0.631	183	107.5193	0.399	183	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PThCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PThCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6629	1.153	40	107.6629	1.330	40	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PTiCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PTiCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2571	0.570	22	107.2571	0.325	22	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PTiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PTiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.1300	1.088	36	108.1300	1.183	36	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PTiCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PTiCP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1005	0.502	4	107.1005	0.252	4	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PZnCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PZnCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.3700	1.219	8	108.3700	1.486	8	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PZnCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PZnCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2225	1.029	45	107.2225	1.058	45	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PZrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PZrCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.9689	1.898	26	105.9689	3.604	26	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PZrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PZrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.8333	1.341	12	107.8333	1.798	12	107.0069	1.958	16219	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Cr)2(CH3)(H)	C(CHPP)(H)3	H(CCPP)	C(PC[6a]2Cr)2(CH3)(H)	C(CHPP)(H)3	H(CCPP)	109.4830	0.000	1	109.4830	0.000	1	108.0945	13.743	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2Ru)2(CH3)(H)	C(CHPP)(H)3	H(CCPP)	C(PC[6a]2Ru)2(CH3)(H)	C(CHPP)(H)3	H(CCPP)	107.6317	4.396	3	107.6317	19.329	3	108.0945	13.743	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[3]C[3]2Mo)(CH3)2(H)	C(CP[3]CH)(H)3	H(CP[3]CC)	C(P[3]C[3]2Mo)(CH3)2(H)	C(CP[3]CH)(H)3	H(CP[3]CC)	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4,4]B[3x4]2C)(CH3)2(H)	C(CP[4,4]CH)(H)3	H(CP[4,4]CC)	C(P[4,4]B[3x4]2C)(CH3)2(H)	C(CP[4,4]CH)(H)3	H(CP[4,4]CC)	105.3328	0.141	8	105.3328	0.020	8	106.1963	1.674	12	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4,4]P[3,4,4]2Cl)(CH3)2(H)	C(CP[4,4]CH)(H)3	H(CP[4,4]CC)	C(P[4,4]P[3,4,4]2Cl)(CH3)2(H)	C(CP[4,4]CH)(H)3	H(CP[4,4]CC)	107.9232	0.358	4	107.9232	0.128	4	106.1963	1.674	12	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4]B[4]2C)(CH3)2(H)	C(CP[4]CH)(H)3	H(CP[4]CC)	C(P[4]B[4]2C)(CH3)2(H)	C(CP[4]CH)(H)3	H(CP[4]CC)	105.8876	0.719	25	105.8876	0.517	25	105.8076	0.590	35	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4]C[4,4]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	H(CP[4]CC)	C(P[4]C[4,4]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	H(CP[4]CC)	105.7979	0.920	7	105.7979	0.846	7	105.8076	0.590	35	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4]C[4,6,6]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	H(CP[4]CC)	C(P[4]C[4,6,6]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	H(CP[4]CC)	105.1637	0.771	3	105.1637	0.594	3	105.8076	0.590	35	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]B[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]B[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.9975	0.283	4	107.9975	0.080	4	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	106.9613	0.972	17	106.9613	0.944	17	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]2O)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]2O)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	106.6232	0.261	4	106.6232	0.068	4	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.4934	0.712	12	107.4934	0.508	12	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.6067	0.500	3	107.6067	0.250	3	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.1432	1.238	24	107.1432	1.534	24	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.1484	0.784	24	107.1484	0.615	24	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.5460	0.104	4	107.5460	0.011	4	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.7194	0.786	26	107.7194	0.618	26	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.1351	0.968	8	107.1351	0.937	8	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.2958	0.949	36	107.2958	0.901	36	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.4780	1.390	3	107.4780	1.931	3	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5]2Pd)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5]2Pd)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	105.7365	0.997	4	105.7365	0.993	4	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	106.6108	0.741	6	106.6108	0.549	6	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	106.2722	1.066	12	106.2722	1.137	12	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]In[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]In[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	106.7701	1.025	8	106.7701	1.051	8	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	106.6233	1.329	15	106.6233	1.766	15	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]N[5]S[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]N[5]S[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.6025	0.397	8	107.6025	0.158	8	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	108.6171	1.699	8	108.6171	2.887	8	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]P[4,5]C[5]O)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]P[4,5]C[5]O)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.1910	0.068	2	107.1910	0.005	2	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]Se[5]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]Se[5]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.4052	0.238	8	107.4052	0.056	8	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[5]Se[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	C(P[5]Se[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	H(CP[5]CC)	107.5555	0.467	8	107.5555	0.218	8	107.2165	1.081	244	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	C(CP[6,6]CH)(H)3	H(CP[6,6]CC)	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	C(CP[6,6]CH)(H)3	H(CP[6,6]CC)	106.3400	0.407	4	106.3400	0.166	4	106.3400	0.166	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]B[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	C(P[6]B[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	106.2527	1.932	3	106.2527	3.732	3	106.8204	0.786	59	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	107.1872	0.603	19	107.1872	0.363	19	106.8204	0.786	59	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	107.1606	1.019	10	107.1606	1.038	10	106.8204	0.786	59	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	106.3450	0.806	8	106.3450	0.649	8	106.8204	0.786	59	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]C[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	C(P[6]C[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	107.5198	0.590	4	107.5198	0.348	4	106.8204	0.786	59	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[6]Ga[6]C[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	C(P[6]Ga[6]C[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	H(CP[6]CC)	106.3097	0.553	15	106.3097	0.306	15	106.8204	0.786	59	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[5a]OO)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[5a]OO)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.1429	0.610	8	108.1429	0.372	8	108.4559	0.544	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]IrO)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]IrO)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.7785	0.101	2	108.7785	0.010	2	108.4559	0.544	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	109.2800	1.261	3	109.2800	1.590	3	108.4559	0.544	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]OO)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]OO)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.2230	0.259	3	108.2230	0.067	3	108.4559	0.544	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CCHS)(H)3	H(CCCS)	108.2490	0.000	1	108.2490	0.000	1	108.4559	0.544	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SFe3)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	C(SFe3)(CH3)2(H)	C(CCHS)(H)3	H(CCCS)	108.7480	0.000	1	108.7480	0.000	1	108.4559	0.544	18	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.3510	1.651	1604	106.3510	2.726	1604	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCH)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCCH)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.5403	0.656	22	107.5403	0.431	22	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.7361	0.683	217	105.7361	0.466	217	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.1277	1.666	396	106.1277	2.774	396	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.9060	1.075	23	105.9060	1.156	23	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.1098	0.894	36	106.1098	0.799	36	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.1245	0.228	8	106.1245	0.052	8	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.2735	1.817	29	106.2735	3.300	29	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[4]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[4]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.8614	0.366	12	105.8614	0.134	12	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5,5]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[5,5]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.8510	0.442	24	105.8510	0.195	24	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.2811	0.965	267	106.2811	0.931	267	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.3569	0.664	221	106.3569	0.440	221	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5a]C[6a]C)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[5a]C[6a]C)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.3594	0.257	24	107.3594	0.066	24	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.2036	0.901	95	106.2036	0.812	95	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6]ClC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6]ClC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.4090	0.229	4	107.4090	0.052	4	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]BrC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]BrC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.6693	0.560	4	106.6693	0.314	4	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.6422	1.295	18	106.6422	1.676	18	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]CH)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]CH)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.6700	0.059	2	107.6700	0.004	2	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]CN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]CN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.5970	0.153	3	107.5970	0.024	3	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.2697	0.677	49	107.2697	0.459	49	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.7393	0.869	12	106.7393	0.755	12	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.9160	1.746	8	106.9160	3.047	8	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]ClC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]ClC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.7403	0.242	4	107.7403	0.058	4	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]IrC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]IrC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.2360	0.043	4	106.2360	0.002	4	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(CSiCH)(H)3	H(CSiCC)	107.7390	0.000	1	107.7390	0.000	1	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]OO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]OO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.7806	0.955	8	106.7806	0.912	8	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.0300	1.074	26	107.0300	1.154	26	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiClCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiClCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.2897	0.581	6	107.2897	0.337	6	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.0917	0.309	3	106.0917	0.095	3	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiIrCO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiIrCO)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.5253	0.270	14	107.5253	0.073	14	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.2270	0.816	30	106.2270	0.666	30	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.8337	1.414	36	106.8337	2.000	36	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiRhCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiRhCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.6034	0.782	5	105.6034	0.612	5	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSi2C)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiSi2C)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.4315	0.341	4	106.4315	0.116	4	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.3497	0.770	63	106.3497	0.593	63	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSi[3]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiSi[3]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	107.0404	1.067	41	107.0404	1.138	41	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.7703	0.558	3	106.7703	0.312	3	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSi[6]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiSi[6]CC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.1145	1.021	4	106.1145	1.043	4	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSnCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiSnCC)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.4600	0.040	2	106.4600	0.002	2	106.3256	2.030	3332	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[3]Si[3]C[3]C)(CH3)2(H)	C(CSi[3]CH)(H)3	H(CSi[3]CC)	C(Si[3]Si[3]C[3]C)(CH3)2(H)	C(CSi[3]CH)(H)3	H(CSi[3]CC)	106.0920	0.103	2	106.0920	0.011	2	106.0920	0.011	2	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	C(CSi[4,4]CH)(H)3	H(CSi[4,4]CC)	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	C(CSi[4,4]CH)(H)3	H(CSi[4,4]CC)	106.1617	0.196	10	106.1617	0.038	10	105.8641	0.816	81	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	C(CSi[4,4]CH)(H)3	H(CSi[4,4]CC)	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	C(CSi[4,4]CH)(H)3	H(CSi[4,4]CC)	106.1030	0.865	26	106.1030	0.749	26	105.8641	0.816	81	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[4,4]Si[4,4]3)(CH3)2(H)	C(CSi[4,4]CH)(H)3	H(CSi[4,4]CC)	C(Si[4,4]Si[4,4]3)(CH3)2(H)	C(CSi[4,4]CH)(H)3	H(CSi[4,4]CC)	105.6599	0.977	45	105.6599	0.954	45	105.8641	0.816	81	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[4]N[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	H(CSi[4]CC)	C(Si[4]N[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	H(CSi[4]CC)	106.4975	0.322	6	106.4975	0.104	6	106.0538	0.439	62	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	C(CSi[4]CH)(H)3	H(CSi[4]CC)	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	C(CSi[4]CH)(H)3	H(CSi[4]CC)	105.9857	0.677	54	105.9857	0.459	54	106.0538	0.439	62	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[4]Si[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	H(CSi[4]CC)	C(Si[4]Si[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	H(CSi[4]CC)	106.5610	0.018	2	106.5610	0.000	2	106.0538	0.439	62	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]C[5,5]2C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	C(Si[5]C[5,5]2C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	107.0372	1.314	28	107.0372	1.726	28	106.7740	3.569	111	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	106.3598	0.735	6	106.3598	0.541	6	106.7740	3.569	111	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	105.5715	2.758	27	105.5715	7.605	27	106.7740	3.569	111	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	107.1919	0.434	7	107.1919	0.188	7	106.7740	3.569	111	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]C[5]N[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	C(Si[5]C[5]N[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	106.4175	0.850	15	106.4175	0.723	15	106.7740	3.569	111	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]C[5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	C(Si[5]C[5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	108.0032	1.633	21	108.0032	2.667	21	106.7740	3.569	111	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	H(CSi[5]CC)	107.3733	0.505	7	107.3733	0.255	7	106.7740	3.569	111	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6,6]P[6,6]2C)(CH3)2(H)	C(CSi[6,6]CH)(H)3	H(CSi[6,6]CC)	C(Si[6,6]P[6,6]2C)(CH3)2(H)	C(CSi[6,6]CH)(H)3	H(CSi[6,6]CC)	106.1805	0.107	4	106.1805	0.011	4	106.1805	0.011	4	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	106.0462	1.043	11	106.0462	1.087	11	106.0607	0.813	30	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6]C[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	C(Si[6]C[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	106.0998	0.095	4	106.0998	0.009	4	106.0607	0.813	30	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6]O[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	C(Si[6]O[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	106.2120	2.153	3	106.2120	4.634	3	106.0607	0.813	30	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	106.0662	0.564	4	106.0662	0.318	4	106.0607	0.813	30	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:1:1:1:	4:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	H(CSi[6]CC)	106.0018	0.579	8	106.0018	0.335	8	106.0607	0.813	30	107.1816	2.207	32412	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-2:F-1:F-1:	C-4:	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCCH)(CC)(F)2	H(CC3)	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCCH)(CC)(F)2	H(CC3)	107.8430	0.106	2	107.8430	0.011	2	107.8430	0.011	2	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCCF)(CCHH)2(H)	C(CCCH)(CC)(H)2	H(CC3)	C(CCCF)(CCHH)2(H)	C(CCCH)(CC)(H)2	H(CC3)	107.4940	0.000	1	107.4940	0.000	1	107.7686	0.049	7	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CC)(H)2	H(CC3)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CC)(H)2	H(CC3)	107.7438	0.213	4	107.7438	0.045	4	107.7686	0.049	7	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCCH)(CC)(H)2	H(CC3)	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCCH)(CC)(H)2	H(CC3)	107.9555	0.105	2	107.9555	0.011	2	107.7686	0.049	7	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)(CH3)(H)	C(CCCH)(NS)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)(CH3)(H)	C(CCCH)(NS)(H)2	H(CC3)	107.3545	1.085	2	107.3545	1.178	2	107.0064	2.906	7	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NC)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NC)(H)2	H(CC3)	107.2002	2.137	4	107.2002	4.566	4	107.0064	2.906	7	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NS)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NS)(H)2	H(CC3)	105.5350	0.000	1	105.5350	0.000	1	107.0064	2.906	7	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.7018	0.198	4	107.7018	0.039	4	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.5890	0.000	1	107.5890	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.6020	0.000	1	107.6020	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	107.4610	0.112	2	107.4610	0.012	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	106.2630	0.000	1	106.2630	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	108.4460	0.000	1	108.4460	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	109.2400	0.000	1	109.2400	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	108.7900	0.000	1	108.7900	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	108.0346	0.303	9	108.0346	0.092	9	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.8300	0.401	4	107.8300	0.161	4	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OS)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OS)(H)2	H(CC3)	108.1630	0.000	1	108.1630	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHH)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	107.0570	0.058	2	107.0570	0.003	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	107.4530	0.000	1	107.4530	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	108.0180	0.113	2	108.0180	0.013	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	107.5395	0.415	6	107.5395	0.172	6	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.5656	0.364	7	107.5656	0.132	7	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OSi)(H)2	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OSi)(H)2	H(CC3)	106.3870	0.000	1	106.3870	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CCHO)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	107.9447	0.662	4	107.9447	0.438	4	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHO)2(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CCHO)2(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	106.8755	1.165	2	106.8755	1.356	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[5]HO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.8470	0.000	1	107.8470	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[5a]HH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	108.4860	0.000	1	108.4860	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6]HO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CC[6]HO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	109.3740	0.000	1	109.3740	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.5570	0.006	2	107.5570	0.000	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]CH)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	107.2235	0.021	2	107.2235	0.000	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	107.3940	0.000	1	107.3940	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	107.2745	0.272	2	107.2745	0.074	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OS)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OS)(H)2	H(CC3)	107.1600	0.000	1	107.1600	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	106.7780	0.000	1	106.7780	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)(OC)(H)2	H(CC3)	107.4240	0.000	1	107.4240	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)(OS)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)(OS)(H)2	H(CC3)	107.2220	0.590	2	107.2220	0.348	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	108.0390	0.000	1	108.0390	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]HH)(CHHO)2(H)	C(CCCH)(OH)(H)2	H(CC3)	107.8255	0.006	2	107.8255	0.000	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	106.4030	0.000	1	106.4030	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	H(CC3)	106.2270	0.000	1	106.2270	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CHHO)(CH3)2(H)	C(CCCH)(OC)(H)2	H(CC3)	107.2906	1.395	15	107.2906	1.945	15	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(CCCH)(OFe)(H)2	H(CC3)	C(CHHO)(CH3)2(H)	C(CCCH)(OFe)(H)2	H(CC3)	108.4100	0.000	1	108.4100	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CHHO)(CH3)2(H)	C(CCCH)(OH)(H)2	H(CC3)	105.8282	3.775	7	105.8282	14.250	7	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)2(H)	C(CCCH)(OP)(H)2	H(CC3)	C(CHHO)(CH3)2(H)	C(CCCH)(OP)(H)2	H(CC3)	108.0738	0.940	9	108.0738	0.883	9	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)3(H)	C(CCCH)(ON)(H)2	H(CC3)	C(CHHO)3(H)	C(CCCH)(ON)(H)2	H(CC3)	108.0675	0.008	2	108.0675	0.000	2	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[5]CH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	C(CN[5]CH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	H(CC3)	106.5600	0.000	1	106.5600	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CSnCH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CSnCH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	H(CC3)	106.8690	0.000	1	106.8690	0.000	1	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CSnHH)(CHHO)2(H)	C(CCCH)(OC)(H)2	H(CC3)	C(CSnHH)(CHHO)2(H)	C(CCCH)(OC)(H)2	H(CC3)	107.5715	0.511	4	107.5715	0.261	4	107.5098	1.601	111	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(CHHN)(CHHS)2(H)	C(CCCH)(SC)(H)2	H(CC3)	C(CHHN)(CHHS)2(H)	C(CCCH)(SC)(H)2	H(CC3)	108.5653	0.077	4	108.5653	0.006	4	108.5653	0.006	4	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	111.8480	0.000	1	111.8480	0.000	1	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.6138	0.870	6	108.6138	0.757	6	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OS)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(OS)(H)2	H(CCCN)	107.6000	0.000	1	107.6000	0.000	1	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.0545	0.562	2	108.0545	0.316	2	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OC)(H)2	H(CCCN)	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OC)(H)2	H(CCCN)	108.3410	0.269	4	108.3410	0.072	4	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	H(CCCN)	C(CC[5]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	H(CCCN)	110.1420	0.267	2	110.1420	0.071	2	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[5a]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	H(CCCN)	C(CC[5a]HH)(CHHO)(NH3)(H)	C(CCHN)(OP)(H)2	H(CCCN)	109.4390	0.000	1	109.4390	0.000	1	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NC3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NC3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.1550	0.277	2	107.1550	0.077	2	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.7980	0.000	1	107.7980	0.000	1	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	106.9290	0.513	6	106.9290	0.264	6	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.8940	0.000	1	108.8940	0.000	1	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)2(NCCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)2(NCCH)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.3580	1.253	5	107.3580	1.570	5	108.1154	1.671	32	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:O-1:	C-4:	C(CCHH)(CHOO)(NH3)(H)	C(CCHN)(OH)(H)(O)	H(CCCN)	C(CCHH)(CHOO)(NH3)(H)	C(CCHN)(OH)(H)(O)	H(CCCN)	108.3125	1.678	4	108.3125	2.814	4	108.3125	2.814	4	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(NIr2C)(CHHO)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	C(CC[6a]HH)(NIr2C)(CHHO)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	94.3361	0.000	1	94.3361	0.000	1	106.5405	24.717	8	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HH)(NRhCH)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CC[6a]HH)(NRhCH)(CHHO)(H)	C(CCHN)(OH)(H)2	H(CCCN)	107.2040	0.000	1	107.2040	0.000	1	106.5405	24.717	8	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4640	0.535	6	108.4640	0.286	6	106.5405	24.717	8	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:P-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(CCHP)(OC)(H)2	H(CCCP)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(CCHP)(OC)(H)2	H(CCCP)	107.1850	0.712	3	107.1850	0.506	3	107.1850	0.506	3	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:S-4:S-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(SCOO)2(H)	C(CHSS)(OC)(H)2	H(CCSS)	C(CHHO)(SCOO)2(H)	C(CHSS)(OC)(H)2	H(CCSS)	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3]C[3]2H)(CHHO)(CH3)(H)	C(CC[3]CH)(OH)(H)2	H(CC[3]CC)	C(C[3]C[3]2H)(CHHO)(CH3)(H)	C(CC[3]CH)(OH)(H)2	H(CC[3]CC)	108.8790	0.000	1	108.8790	0.000	1	108.3500	0.560	2	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	C(CC[3]CH)(OSi)(H)2	H(CC[3]CC)	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	C(CC[3]CH)(OSi)(H)2	H(CC[3]CC)	107.8210	0.000	1	107.8210	0.000	1	108.3500	0.560	2	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	107.4320	0.000	1	107.4320	0.000	1	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	106.1020	0.000	1	106.1020	0.000	1	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	108.4535	0.066	2	108.4535	0.004	2	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OS)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OS)(H)2	H(CC[5]CC)	104.2290	0.000	1	104.2290	0.000	1	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	107.2713	1.128	3	107.2713	1.273	3	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	107.8382	0.542	5	107.8382	0.294	5	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	108.0630	0.328	2	108.0630	0.108	2	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	106.5670	0.000	1	106.5670	0.000	1	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	107.5225	0.049	2	107.5225	0.002	2	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	107.4025	0.008	2	107.4025	0.000	2	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	107.7610	0.000	1	107.7610	0.000	1	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)2(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)2(H)	C(CC[5]CH)(OC)(H)2	H(CC[5]CC)	108.5335	0.033	2	108.5335	0.001	2	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)2(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)2(H)	C(CC[5]CH)(OH)(H)2	H(CC[5]CC)	108.4955	0.127	2	108.4955	0.016	2	107.6015	1.021	25	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	107.8885	0.009	2	107.8885	0.000	2	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C(CC[6]CH)(OC[6])(H)2	H(CC[6]CC)	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C(CC[6]CH)(OC[6])(H)2	H(CC[6]CC)	104.8950	0.000	1	104.8950	0.000	1	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	106.5330	0.810	2	106.5330	0.657	2	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(CC[6]CH)(OS)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(CC[6]CH)(OS)(H)2	H(CC[6]CC)	105.4230	0.000	1	105.4230	0.000	1	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	107.2350	0.000	1	107.2350	0.000	1	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	107.2070	0.223	7	107.2070	0.050	7	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	106.8388	0.495	4	106.8388	0.245	4	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OS)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OS)(H)2	H(CC[6]CC)	107.6555	0.012	2	107.6555	0.000	2	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	106.8710	0.072	2	106.8710	0.005	2	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	107.1400	0.000	1	107.1400	0.000	1	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	107.6735	0.718	2	107.6735	0.515	2	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	107.7450	0.000	1	107.7450	0.000	1	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	H(CC[6]CC)	107.7407	0.925	3	107.7407	0.856	3	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	H(CC[6]CC)	107.6298	0.815	6	107.6298	0.664	6	107.2139	0.630	35	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]HH)(CHHO)2(H)	C(CCHN)(OH)(H)2	H(CCCN)	C(NC[6]HH)(CHHO)2(H)	C(CCHN)(OH)(H)2	H(CCCN)	108.4895	0.060	2	108.4895	0.004	2	108.1034	2.168	5	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	108.6640	0.000	1	108.6640	0.000	1	108.1034	2.168	5	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NIr2C)(CHHO)(CH3)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	C(NIr2C)(CHHO)(CH3)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	105.5440	0.000	1	105.5440	0.000	1	108.1034	2.168	5	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(NIrCH)(CCHH)(CHHO)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	C(NIrCH)(CCHH)(CHHO)(H)	C(CCHN)(OIr)(H)2	H(CCCN)	109.3300	0.000	1	109.3300	0.000	1	108.1034	2.168	5	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	C(CCHP)(OH)(H)2	H(CCCP)	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	C(CCHP)(OH)(H)2	H(CCCP)	106.8905	0.134	2	106.8905	0.018	2	106.8905	0.018	2	107.5731	2.145	248	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-2:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CC)(NS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CC)(NS)(H)	H(CC3)	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.3923	0.993	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCCO)(CCHH)(CCHO)(H)	C(CCCH)(CC)(OH)(H)	H(CC3)	C(CCCO)(CCHH)(CCHO)(H)	C(CCCH)(CC)(OH)(H)	H(CC3)	105.8760	0.190	2	105.8760	0.036	2	106.7523	2.322	3	107.3923	0.993	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-2:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CC)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CC)(OH)(H)	H(CC3)	108.5050	0.000	1	108.5050	0.000	1	106.7523	2.322	3	107.3923	0.993	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(CHOO)(CH3)2(H)	C(CCCH)(OC)2(H)	H(CC3)	C(CHOO)(CH3)2(H)	C(CCCH)(OC)2(H)	H(CC3)	108.0537	0.448	3	108.0537	0.200	3	108.0537	0.200	3	107.3923	0.993	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:O-2:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C(CC[5]CH)(OC)2(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C(CC[5]CH)(OC)2(H)	H(CC[5]CC)	107.3715	0.599	2	107.3715	0.359	2	107.3715	0.359	2	107.3923	0.993	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:4:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:S-2:Si-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	C(CC[3]CH)(SC[6a])(SiC3)(H)	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	C(CC[3]CH)(SC[6a])(SiC3)(H)	H(CC[3]CC)	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	107.6790	0.817	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:2:4:1:	4:	S-4:C-4:C-4:H-1:	C-4:Se-2:C-4:H-1:	C-4:	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	H(CCCS)	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	H(CCCS)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	107.6790	0.817	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(Br)(H)	H(CC3)	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(Br)(H)	H(CC3)	107.2550	0.000	1	107.2550	0.000	1	107.8275	0.656	2	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:Br-1:H-1:	C-4:	C(CBrCH)2(CH3)(H)	C(CCCH)(CCO)(Br)(H)	H(CC3)	C(CBrCH)2(CH3)(H)	C(CCCH)(CCO)(Br)(H)	H(CC3)	108.4000	0.000	1	108.4000	0.000	1	107.8275	0.656	2	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	108.1510	0.000	1	108.1510	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	105.8155	0.081	2	105.8155	0.007	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCC)(H)2	H(CC3)	106.5900	0.000	2	106.5900	0.000	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	106.5950	0.000	1	106.5950	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	106.5690	0.000	1	106.5690	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	106.8670	0.000	1	106.8670	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCCN)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCCN)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	109.8680	0.000	1	109.8680	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.1487	1.288	3	107.1487	1.658	3	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(CNO)(H)2	H(CC3)	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(CNO)(H)2	H(CC3)	107.9267	0.444	10	107.9267	0.198	10	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.5640	0.439	6	107.5640	0.193	6	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	H(CC3)	108.5075	0.988	2	108.5075	0.976	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.3850	0.522	2	107.3850	0.272	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	107.7820	0.000	1	107.7820	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHO)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHO)(H)2	H(CC3)	106.9380	0.000	1	106.9380	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	105.9017	0.561	4	105.9017	0.315	4	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.2920	0.000	1	107.2920	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CNO)(H)2	H(CC3)	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CNO)(H)2	H(CC3)	107.3070	0.000	1	107.3070	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(CClC)(H)2	H(CC3)	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(CClC)(H)2	H(CC3)	108.0110	0.000	1	108.0110	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCH)(H)2	H(CC3)	108.1250	0.221	2	108.1250	0.049	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCN)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCN)(H)2	H(CC3)	107.8525	0.855	2	107.8525	0.731	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	108.1840	0.442	4	108.1840	0.195	4	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHN)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHN)(H)2	H(CC3)	108.4440	0.000	1	108.4440	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHO)(H)2	H(CC3)	106.9220	0.000	1	106.9220	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CNO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CNO)(H)2	H(CC3)	107.6705	1.847	6	107.6705	3.411	6	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(COO)(H)2	H(CC3)	108.6132	1.293	4	108.6132	1.673	4	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	108.6420	0.000	1	108.6420	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CC3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)2(CC3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.0870	0.000	2	107.0870	0.000	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CF3)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)2(CF3)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.4100	0.270	2	107.4100	0.073	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	H(CC3)	107.7751	0.881	7	107.7751	0.777	7	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CCH)(H)2	H(CC3)	107.7808	0.462	5	107.7808	0.214	5	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	107.9671	1.027	8	107.9671	1.054	8	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CNO)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CNO)(H)2	H(CC3)	108.2886	0.165	5	108.2886	0.027	5	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.4797	0.762	3	107.4797	0.581	3	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CHHN)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CCHH)2(CHHN)(H)	C(CCCH)(COO)(H)2	H(CC3)	108.2496	0.353	22	108.2496	0.125	22	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCC)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(CCCH)(CCC)(H)2	H(CC3)	108.1100	0.000	1	108.1100	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(CCCH)(CCO)(H)2	H(CC3)	108.0970	0.000	1	108.0970	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.1770	0.000	1	107.1770	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	106.4520	0.000	1	106.4520	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[6]CH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	101.4540	0.000	1	101.4540	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	H(CC3)	108.1180	0.765	2	108.1180	0.585	2	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[6a]CC)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	108.0710	0.000	1	108.0710	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CNO)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CNO)(H)2	H(CC3)	106.6340	0.000	1	106.6340	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	H(CC3)	107.7610	0.000	1	107.7610	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(CCCH)(COO)(H)2	H(CC3)	108.9890	0.000	1	108.9890	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(CCCH)(CCH)(H)2	H(CC3)	106.3670	0.000	1	106.3670	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCH)(H)2	H(CC3)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCH)(H)2	H(CC3)	106.1560	0.000	1	106.1560	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(COO)(H)2	H(CC3)	108.1203	0.193	3	108.1203	0.037	3	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CSiCH)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	C(CSiCH)(CCHH)2(H)	C(CCCH)(CCO)(H)2	H(CC3)	105.7250	0.000	1	105.7250	0.000	1	107.6983	1.165	133	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	H(CC3)	107.6270	0.000	1	107.6270	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(NOO)(H)2	H(CC3)	107.7601	0.492	15	107.7601	0.242	15	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(NOO)(H)2	H(CC3)	107.3260	0.000	1	107.3260	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NOO)(H)2	H(CC3)	108.3405	0.077	2	108.3405	0.006	2	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NCC)(H)2	H(CC3)	108.7920	0.000	1	108.7920	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NOO)(H)2	H(CC3)	109.2040	0.000	1	109.2040	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	H(CC3)	C(CCHH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	H(CC3)	107.7960	0.987	2	107.7960	0.974	2	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	H(CC3)	107.6130	0.901	5	107.6130	0.813	5	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCS)(H)2	H(CC3)	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCS)(H)2	H(CC3)	106.2390	0.000	1	106.2390	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	H(CC3)	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	H(CC3)	105.3490	0.000	1	105.3490	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(CCCH)(NCC)(H)2	H(CC3)	106.7535	0.136	2	106.7535	0.019	2	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(CCCH)(NCH)(H)2	H(CC3)	109.0490	0.000	1	109.0490	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NCuC)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NCuC)(H)2	H(CC3)	106.6747	1.688	3	106.6747	2.849	3	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	H(CC3)	106.2800	3.257	2	106.2800	10.608	2	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HN)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CC[6a]HN)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	H(CC3)	108.8760	0.000	1	108.8760	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CC[6a]HO)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CC[6a]HO)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	H(CC3)	108.0760	0.000	1	108.0760	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NAlC)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NAlC)(H)2	H(CC3)	108.0022	0.082	5	108.0022	0.007	5	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NCC)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NCC)(H)2	H(CC3)	108.0338	0.954	49	108.0338	0.910	49	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NCH)(H)2	H(CC3)	107.3579	1.391	15	107.3579	1.936	15	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NCN)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NCN)(H)2	H(CC3)	108.3358	0.274	6	108.3358	0.075	6	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NCP)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NCP)(H)2	H(CC3)	108.0400	0.801	36	108.0400	0.641	36	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NCS)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NCS)(H)2	H(CC3)	108.1700	0.470	4	108.1700	0.221	4	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NCuC)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NCuC)(H)2	H(CC3)	108.0260	0.041	2	108.0260	0.002	2	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NHS)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NHS)(H)2	H(CC3)	108.2596	0.315	7	108.2596	0.100	7	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NPS)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NPS)(H)2	H(CC3)	108.4120	0.000	1	108.4120	0.000	1	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NPdC)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NPdC)(H)2	H(CC3)	108.7935	0.091	4	108.7935	0.008	4	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NPtC)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NPtC)(H)2	H(CC3)	108.3096	0.419	5	108.3096	0.176	5	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NSnC)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NSnC)(H)2	H(CC3)	107.1745	2.099	2	107.1745	4.407	2	107.9142	0.947	176	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCCH)(CHHS)2(H)	C(CCCH)(SFe2)(H)2	H(CC3)	C(CCCH)(CHHS)2(H)	C(CCCH)(SFe2)(H)2	H(CC3)	106.5465	1.315	6	106.5465	1.729	6	107.4079	1.893	13	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CCHH)2(CHHS)(H)	C(CCCH)(SCO)(H)2	H(CC3)	C(CCHH)2(CHHS)(H)	C(CCCH)(SCO)(H)2	H(CC3)	107.1330	0.000	1	107.1330	0.000	1	107.4079	1.893	13	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(CHHS)(CH3)2(H)	C(CCCH)(SPdC)(H)2	H(CC3)	C(CHHS)(CH3)2(H)	C(CCCH)(SPdC)(H)2	H(CC3)	108.3152	0.959	6	108.3152	0.920	6	107.4079	1.893	13	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(CCHN)(NCCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	C(CCHH)(CCHN)(NCCH)(H)	C(CCHN)(COO)(H)2	H(CCCN)	107.2260	0.000	1	107.2260	0.000	1	106.4508	6.326	5	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(NCCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CCHH)2(NCCH)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	103.7560	0.000	1	103.7560	0.000	1	106.4508	6.326	5	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)2(NH3)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	C(CCHH)2(NH3)(H)	C(CCHN)(CCH)(H)2	H(CCCN)	109.0850	0.000	1	109.0850	0.000	1	106.4508	6.326	5	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHN)(CHH)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHN)(CHH)(H)2	H(CCCN)	103.8300	0.000	1	103.8300	0.000	1	106.4508	6.326	5	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHN)(CNO)(H)2	H(CCCN)	108.3570	0.000	1	108.3570	0.000	1	106.4508	6.326	5	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	108.6250	0.000	1	108.6250	0.000	1	108.8433	0.199	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NHH)(H)2	H(CCCN)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NHH)(H)2	H(CCCN)	109.3570	0.000	1	109.3570	0.000	1	108.8433	0.199	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NHH)(H)2	H(CCCN)	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NHH)(H)2	H(CCCN)	108.5480	0.000	1	108.5480	0.000	1	108.8433	0.199	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:Si-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(SiC3)(H)	C(CSiCH)(COO)(H)2	H(CSiCC)	C(CN[5]CH)(CCHH)(SiC3)(H)	C(CSiCH)(COO)(H)2	H(CSiCC)	102.6890	0.000	1	102.6890	0.000	1	102.6890	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCH)(H)2	H(CCCN)	109.8042	1.299	6	109.8042	1.688	6	109.8042	1.688	6	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHS)(CCH)(H)2	H(CCCS)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHS)(CCH)(H)2	H(CCCS)	108.5130	0.158	2	108.5130	0.025	2	108.5130	0.025	2	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CCHH)2(H)	C(CC[3]CH)(COO)(H)2	H(CC[3]CC)	C(C[3]C[3]2C)(CCHH)2(H)	C(CC[3]CH)(COO)(H)2	H(CC[3]CC)	107.4885	0.303	2	107.4885	0.092	2	107.4885	0.092	2	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[3x6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CC[3x6]CH)(COO)(H)2	H(CC[3x6]CC)	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CC[3x6]CH)(COO)(H)2	H(CC[3x6]CC)	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	H(CC[5,5,6]CC)	106.3457	0.485	3	106.3457	0.235	3	106.8050	0.370	6	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	H(CC[5,5,6]CC)	107.2643	0.236	3	107.2643	0.056	3	106.8050	0.370	6	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCO)(H)2	H(CC[5,5]CC)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCO)(H)2	H(CC[5,5]CC)	108.6730	0.735	2	108.6730	0.541	2	108.0273	1.521	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCH)(H)2	H(CC[5,5]CC)	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCH)(H)2	H(CC[5,5]CC)	106.7360	0.000	1	106.7360	0.000	1	108.0273	1.521	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	108.0983	0.598	3	108.0983	0.358	3	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	107.1600	0.000	1	107.1600	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	108.1133	0.843	3	108.1133	0.710	3	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	108.1363	0.241	3	108.1363	0.058	3	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	107.3720	0.000	1	107.3720	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	106.8340	0.000	1	106.8340	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	H(CC[5]CC)	106.7390	0.000	1	106.7390	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	106.3265	0.506	2	106.3265	0.256	2	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CNO)(H)2	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CNO)(H)2	H(CC[5]CC)	105.7137	0.668	6	105.7137	0.446	6	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	H(CC[5]CC)	107.7690	0.000	1	107.7690	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	H(CC[5]CC)	108.0750	0.000	1	108.0750	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	110.6910	0.000	1	110.6910	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CCC)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CCC)(H)2	H(CC[5]CC)	107.5380	0.000	1	107.5380	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	107.5070	0.000	1	107.5070	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	107.4210	0.000	1	107.4210	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	H(CC[5]CC)	106.9650	0.000	1	106.9650	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C(CC[5]CH)(CC[6a]O)(H)2	H(CC[5]CC)	106.7740	0.000	1	106.7740	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	106.5165	0.364	2	106.5165	0.133	2	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	106.2060	0.000	1	106.2060	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	108.8810	0.000	1	108.8810	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	106.5300	0.000	1	106.5300	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	108.1485	0.244	2	108.1485	0.060	2	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CC[5]CH)(CCH)(H)2	H(CC[5]CC)	106.5530	0.000	1	106.5530	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C(CC[5]CH)(COO)(H)2	H(CC[5]CC)	107.8790	0.000	1	107.8790	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(CC[5]CH)(CCO)(H)2	H(CC[5]CC)	106.9900	0.000	1	106.9900	0.000	1	107.2614	1.294	39	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	102.7510	0.000	1	102.7510	0.000	1	105.9700	8.430	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	108.3910	0.000	1	108.3910	0.000	1	105.9700	8.430	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C(CC[5]CH)(NOO)(H)2	H(CC[5]CC)	106.7680	0.000	1	106.7680	0.000	1	105.9700	8.430	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(CNO)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(CNO)(H)2	H(CC[5]CN)	107.3090	0.000	1	107.3090	0.000	1	108.5423	1.268	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(CC[5]HN)(COO)(H)2	H(CC[5]CN)	109.1590	0.505	2	109.1590	0.255	2	108.5423	1.268	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	C(CC[5]2H)(CCO)(H)2	H(CC[5]2C)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	C(CC[5]2H)(CCO)(H)2	H(CC[5]2C)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C(CC[5]2H)(NOO)(H)2	H(CC[5]2C)	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C(CC[5]2H)(NOO)(H)2	H(CC[5]2C)	106.4980	0.000	1	106.4980	0.000	1	107.5164	0.460	5	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	C(CC[5]2H)(NOO)(H)2	H(CC[5]2C)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	C(CC[5]2H)(NOO)(H)2	H(CC[5]2C)	107.7710	0.426	4	107.7710	0.181	4	107.5164	0.460	5	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C(CC[5]C[6]H)(CCO)(H)2	H(CC[5]C[6]C)	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C(CC[5]C[6]H)(CCO)(H)2	H(CC[5]C[6]C)	105.8340	0.000	1	105.8340	0.000	1	106.4850	0.763	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	C(CC[5]C[6]H)(CCO)(H)2	H(CC[5]C[6]C)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	C(CC[5]C[6]H)(CCO)(H)2	H(CC[5]C[6]C)	106.8105	0.944	2	106.8105	0.891	2	106.4850	0.763	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:N-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(NPdCC)(CHHS)(H)	C(CC[5]HN)(SPdC)(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(NPdCC)(CHHS)(H)	C(CC[5]HN)(SPdC)(H)2	H(CC[5]CN)	105.9280	0.742	2	105.9280	0.551	2	105.9280	0.551	2	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	C(CC[5]HP)(CC[6a]O)(H)2	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	C(CC[5]HP)(CC[6a]O)(H)2	H(CC[5]CP)	106.3370	0.000	1	106.3370	0.000	1	106.3370	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[5]-4:Si-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C(CC[5]SiH)(CC[5]O)(H)2	H(CC[5]SiC)	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C(CC[5]SiH)(CC[5]O)(H)2	H(CC[5]SiC)	105.7660	0.000	1	105.7660	0.000	1	105.7660	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	H(CC[6]CC)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	H(CC[6]CC)	107.4960	0.505	2	107.4960	0.255	2	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	107.1150	0.000	1	107.1150	0.000	1	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	H(CC[6]CC)	105.8580	2.420	2	105.8580	5.855	2	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CC[5a]O)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CC[5a]O)(H)2	H(CC[6]CC)	106.7620	0.000	1	106.7620	0.000	1	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(CCO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(CCO)(H)2	H(CC[6]CC)	108.5180	0.206	2	108.5180	0.043	2	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	107.1150	0.000	1	107.1150	0.000	1	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	106.3950	0.000	1	106.3950	0.000	1	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	108.0090	0.000	1	108.0090	0.000	1	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	108.5380	0.000	1	108.5380	0.000	1	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CNO)(H)2	H(CC[6]CC)	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CNO)(H)2	H(CC[6]CC)	106.8950	0.000	1	106.8950	0.000	1	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	H(CC[6]CC)	106.3395	0.541	2	106.3395	0.293	2	107.1501	1.324	15	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CC[6]CH)(NHH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CC[6]CH)(NHH)(H)2	H(CC[6]CC)	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	C(CC[6]2H)(CCO)(H)2	H(CC[6]2C)	C(C[6]C[6]N[6]C)(C[6]C[6]2H)(CCHH)(H)	C(CC[6]2H)(CCO)(H)2	H(CC[6]2C)	106.5935	1.412	2	106.5935	1.994	2	106.5935	1.994	2	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NFeCC)(CHHO)(CH3)(H)	C(CCHN)(OFe2)(H)2	H(CCCN)	C(NFeCC)(CHHO)(CH3)(H)	C(CCHN)(OFe2)(H)2	H(CCCN)	106.9820	0.000	1	106.9820	0.000	1	107.7591	0.171	10	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(CHHO)(H)	C(CCHN)(OFe2)(H)2	H(CCCN)	C(NFeCH)(CCHH)(CHHO)(H)	C(CCHN)(OFe2)(H)2	H(CCCN)	107.8454	0.329	9	107.8454	0.108	9	107.7591	0.171	10	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	H(CN[6]CC)	100.3150	0.000	1	100.3150	0.000	1	100.3150	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(CNO)(H)2	H(CCCP)	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(CNO)(H)2	H(CCCP)	109.5070	0.000	1	109.5070	0.000	1	106.4826	3.594	8	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHP)(CCO)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHP)(CCO)(H)2	H(CCCP)	107.4270	0.000	1	107.4270	0.000	1	106.4826	3.594	8	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHP)(COO)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHP)(COO)(H)2	H(CCCP)	107.4765	0.528	2	107.4765	0.279	2	106.4826	3.594	8	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CCO)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CCO)(H)2	H(CCCP)	105.3525	1.537	2	105.3525	2.361	2	106.4826	3.594	8	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(COO)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(COO)(H)2	H(CCCP)	104.6345	1.057	2	104.6345	1.118	2	106.4826	3.594	8	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	P-4:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2O)2(CCHH)(H)	C(CHPP)(CCO)(H)2	H(CCPP)	C(PC[6a]2O)2(CCHH)(H)	C(CHPP)(CCO)(H)2	H(CCPP)	105.2190	0.000	1	105.2190	0.000	1	105.2190	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	S-4:S-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCH)(H)2	H(CCSS)	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCH)(H)2	H(CCSS)	105.7340	0.000	1	105.7340	0.000	1	107.1857	1.582	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	S-4:S-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCN)(H)2	H(CCSS)	C(SC[6a]OO)2(CCHH)(H)	C(CHSS)(CCN)(H)2	H(CCSS)	107.9115	0.054	2	107.9115	0.003	2	107.1857	1.582	3	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:1:1:	4:	Si-4:Si-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	C(CSi2H)(CHO)(H)2	H(CSi2C)	C(SiC[6a]CC)(SiC[6a]3)(CCHH)(H)	C(CSi2H)(CHO)(H)2	H(CSi2C)	104.2480	0.000	1	104.2480	0.000	1	104.2480	0.000	1	107.6306	1.573	453	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NC)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NC)(H)	H(CC3)	107.1420	0.000	1	107.1420	0.000	1	106.9560	1.881	9	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NC)(H)	H(CC3)	107.2867	0.685	3	107.2867	0.470	3	106.9560	1.881	9	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NS)(H)	H(CC3)	106.6805	2.839	2	106.6805	8.060	2	106.9560	1.881	9	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NC)(H)	H(CC3)	106.7470	1.644	3	106.7470	2.702	3	106.9560	1.881	9	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	106.5900	0.000	1	106.5900	0.000	1	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCCH)(CCHO)2(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	C(CCCH)(CCHO)2(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	105.9480	0.769	2	105.9480	0.592	2	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	H(CC3)	106.9750	0.259	3	106.9750	0.067	3	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	107.0065	0.293	2	107.0065	0.086	2	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	107.0115	0.414	4	107.0115	0.171	4	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	107.1695	1.232	2	107.1695	1.519	2	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCN)(OSi)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCN)(OSi)(H)	H(CC3)	108.7230	0.000	1	108.7230	0.000	1	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OC)(H)	H(CC3)	106.7844	1.304	5	106.7844	1.700	5	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OH)(H)	H(CC3)	108.4010	0.000	1	108.4010	0.000	1	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(ON)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(ON)(H)	H(CC3)	107.1660	0.000	1	107.1660	0.000	1	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCO)(OH)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCO)(OH)(H)	H(CC3)	108.2050	0.000	1	108.2050	0.000	1	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CCC)(OH)(H)	H(CC3)	107.7050	0.000	1	107.7050	0.000	1	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	H(CC3)	107.0949	0.627	12	107.0949	0.394	12	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OH)(H)	H(CC3)	107.5858	1.538	5	107.5858	2.367	5	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OSi)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OSi)(H)	H(CC3)	107.6265	0.501	2	107.6265	0.251	2	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(CCCH)(CCI)(OH)(H)	H(CC3)	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(CCCH)(CCI)(OH)(H)	H(CC3)	108.0490	0.000	1	108.0490	0.000	1	107.1887	0.824	44	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:C-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NCN)(CN)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NCN)(CN)(H)	H(CC3)	108.1440	0.000	1	108.1440	0.000	1	108.1440	0.000	1	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCC)(OC)(H)	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCC)(OC)(H)	H(CC[3]CC)	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	C(CC[5]CH)(COO)(NC)(H)	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	C(CC[5]CH)(COO)(NC)(H)	H(CC[5]CC)	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCO)(OC)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCO)(OC)(H)	H(CC[5]CC)	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	107.2392	1.028	57	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(COO)2(H)	H(CC3)	106.7200	0.000	1	106.7200	0.000	1	107.2270	1.349	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(COO)2(H)	H(CC3)	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(COO)2(H)	H(CC3)	107.4190	0.000	1	107.4190	0.000	1	107.2270	1.349	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCH)(CHH)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCH)(CHH)(H)	H(CC3)	109.0120	0.000	1	109.0120	0.000	1	107.2270	1.349	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[5]HO)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CCO)(H)	H(CC3)	C(CC[5]HO)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CCO)(H)	H(CC3)	107.1380	0.000	1	107.1380	0.000	1	107.2270	1.349	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CNO)(H)	H(CC3)	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CNO)(H)	H(CC3)	105.8460	0.000	1	105.8460	0.000	1	107.2270	1.349	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCH)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCH)(NCH)(H)	H(CC3)	106.9290	0.000	2	106.9290	0.000	2	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCO)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCO)(NCH)(H)	H(CC3)	108.0170	0.000	1	108.0170	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCC)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCC)(H)	H(CC3)	108.7870	0.000	1	108.7870	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	107.5523	0.824	23	107.5523	0.679	23	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHH)(H)	H(CC3)	107.5300	0.383	4	107.5300	0.147	4	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHS)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHS)(H)	H(CC3)	106.9810	0.320	2	106.9810	0.102	2	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	107.0530	0.911	31	107.0530	0.831	31	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	108.0990	0.000	1	108.0990	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(COO)(NCC)(H)	H(CC3)	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(COO)(NCC)(H)	H(CC3)	107.4160	0.059	2	107.4160	0.004	2	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CF3)2(H)	C(CCCH)(CNO)(NCC)(H)	H(CC3)	C(CCHN)(CF3)2(H)	C(CCCH)(CNO)(NCC)(H)	H(CC3)	107.6075	0.115	2	107.6075	0.013	2	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCC)(H)	H(CC3)	108.6390	0.000	1	108.6390	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCH)(H)	H(CC3)	106.9370	0.634	2	106.9370	0.401	2	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCO)(H)	H(CC3)	107.7300	0.000	1	107.7300	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCC)(H)	H(CC3)	108.7801	0.439	8	108.7801	0.193	8	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	107.7500	1.116	81	107.7500	1.245	81	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCS)(H)	H(CC3)	108.6115	0.383	2	108.6115	0.146	2	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHH)(H)	H(CC3)	108.0010	0.253	5	108.0010	0.064	5	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHS)(H)	H(CC3)	108.1363	3.721	4	108.1363	13.843	4	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCC)(H)	H(CC3)	108.9322	0.311	6	108.9322	0.097	6	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	107.8725	2.871	100	107.8725	8.242	100	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCS)(H)	H(CC3)	108.6220	0.000	1	108.6220	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	107.6710	0.417	8	107.6710	0.174	8	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	H(CC3)	107.7800	0.000	1	107.7800	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	H(CC3)	99.4610	0.000	1	99.4610	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CNO)(NCH)(H)	H(CC3)	107.2750	0.000	1	107.2750	0.000	1	107.7271	3.842	291	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCuC)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCuC)(COO)(H)	H(CC3)	108.4710	0.000	1	108.4710	0.000	1	106.9555	7.896	14	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NSnC)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NSnC)(COO)(H)	H(CC3)	99.8939	0.000	1	99.8939	0.000	1	106.9555	7.896	14	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NCuC)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NCuC)(COO)(H)	H(CC3)	106.6700	0.281	2	106.6700	0.079	2	106.9555	7.896	14	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NNiC)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NNiC)(COO)(H)	H(CC3)	106.6532	0.885	4	106.6532	0.783	4	106.9555	7.896	14	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NNiH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NNiH)(COO)(H)	H(CC3)	107.6150	0.000	1	107.6150	0.000	1	106.9555	7.896	14	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NSnC)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NSnC)(COO)(H)	H(CC3)	108.2888	3.090	5	108.2888	9.551	5	106.9555	7.896	14	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	C(CC[5]CH)(CC[6a]O)2(H)	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	C(CC[5]CH)(CC[6a]O)2(H)	H(CC[5]CC)	108.4690	0.448	2	108.4690	0.201	2	107.0188	2.414	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	106.9240	0.000	1	106.9240	0.000	1	107.0188	2.414	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	104.8090	0.000	1	104.8090	0.000	1	107.0188	2.414	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C(CC[5]CH)(COO)2(H)	H(CC[5]CC)	106.4230	0.000	1	106.4230	0.000	1	107.0188	2.414	5	107.6737	3.958	315	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:C-2:	C-4:	C(CC3)(CH3)2(H)	C(CCCH)(CCC)(COO)(CN)	H(CC3)	C(CC3)(CH3)2(H)	C(CCCH)(CCC)(COO)(CN)	H(CC3)	107.6105	0.144	2	107.6105	0.021	2	107.6105	0.021	2	107.6105	0.021	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	H(CC3)	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	H(CC3)	105.7858	1.489	8	105.7858	2.218	8	106.0726	2.608	10	106.4929	2.733	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-3:C-4:H-1:	C-4:	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	H(CC3)	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	H(CC3)	107.2200	2.157	2	107.2200	4.651	2	106.0726	2.608	10	106.4929	2.733	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:N[5a]-3:C-4:H-1:	C-4:	C(CN[5a]C[5]H)(CH3)2(H)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	H(CC3)	C(CN[5a]C[5]H)(CH3)2(H)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	H(CC3)	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	106.4929	2.733	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C-4:	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	H(CC3)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	H(CC3)	108.4220	0.000	2	108.4220	0.000	2	108.4220	0.000	2	106.4929	2.733	13	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:4:2:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[5]O)(CH3)2(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	H(CC3)	C(CC[6a]C[5]O)(CH3)2(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	H(CC3)	107.0475	0.646	2	107.0475	0.417	2	107.0475	0.417	2	107.0475	0.417	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:3:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:O-3:C-4:C-4:	C-4:	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(OZn2)(CH3)2	H(CC3)	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(OZn2)(CH3)2	H(CC3)	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	As-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CAsCH)(H)2	H(CAsCC)	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CAsCH)(H)2	H(CAsCC)	107.2060	0.027	2	107.2060	0.001	2	107.2060	0.001	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	B-4:C-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	C(N[6]C[6]2H)(CBCH)(H)2	H(CBCC)	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	C(N[6]C[6]2H)(CBCH)(H)2	H(CBCC)	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	B[4]-4:C-4:H-1:H-1:	C-4:	C(CB[4]HH)(CH3)2(H)	C(B[4]P[4]2O)(CCCH)(H)2	H(CC3)	C(CB[4]HH)(CH3)2(H)	C(B[4]P[4]2O)(CCCH)(H)2	H(CC3)	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:	C(CCl2C)(CH3)2(H)	C(CCCH)(CCHO)(Cl)2	H(CC3)	C(CCl2C)(CH3)2(H)	C(CCCH)(CCHO)(Cl)2	H(CC3)	107.4910	0.000	1	107.4910	0.000	1	107.4910	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:Cl-1:H-1:	C-4:	C(CClCH)(CH3)2(H)	C(CCCH)(CCHN)(Cl)(H)	H(CC3)	C(CClCH)(CH3)2(H)	C(CCCH)(CCHN)(Cl)(H)	H(CC3)	108.6270	0.290	2	108.6270	0.084	2	108.6270	0.084	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:F-1:F-1:	C-4:	C(CNiCH)(CCFF)(CH3)(H)	C(CNiFF)(CCCH)(F)2	H(CC3)	C(CNiCH)(CCFF)(CH3)(H)	C(CNiFF)(CCCH)(F)2	H(CC3)	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBHN)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CBHN)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	105.2107	0.347	6	105.2107	0.121	6	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CBr3)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CBr3)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.5475	0.009	2	107.5475	0.000	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCF)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCF)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.5300	0.000	1	107.5300	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	106.8330	0.000	1	106.8330	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.0590	0.000	2	107.0590	0.000	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.3635	1.428	2	107.3635	2.038	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	C(CCCH)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	107.3407	0.188	3	107.3407	0.035	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.0901	1.670	20	106.0901	2.790	20	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	106.1432	0.643	9	106.1432	0.414	9	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	106.0249	2.104	12	106.0249	4.425	12	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.0830	1.625	2	108.0830	2.640	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCN)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCN)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.6670	0.000	1	107.6670	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	105.8985	0.176	2	105.8985	0.031	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	106.0300	0.211	2	106.0300	0.044	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.1090	0.000	1	107.1090	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.1330	0.000	1	107.1330	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.9560	0.000	1	107.9560	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.0080	0.000	1	107.0080	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.2170	0.000	1	107.2170	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.3890	0.857	121	107.3890	0.735	121	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.4110	0.107	2	107.4110	0.012	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)2(H)2	H(CC3)	107.0105	0.105	2	107.0105	0.011	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.2069	0.775	29	107.2069	0.600	29	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.8220	0.195	2	107.8220	0.038	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.1840	0.765	7	107.1840	0.585	7	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	108.6420	1.515	2	108.6420	2.294	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(H)2	H(CC3)	107.5387	1.117	10	107.5387	1.248	10	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	108.2080	0.141	2	108.2080	0.020	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	107.1750	0.000	1	107.1750	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.3755	1.513	2	107.3755	2.288	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)2(H)2	H(CC3)	108.0150	0.000	1	108.0150	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	107.6800	0.000	1	107.6800	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(CCHN)(H)2	H(CC3)	107.8500	0.000	1	107.8500	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CC3)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CC3)(H)2	H(CC3)	108.0070	0.031	2	108.0070	0.001	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCCN)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCCN)(H)2	H(CC3)	107.8640	0.721	3	107.8640	0.519	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCCO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCCO)(H)2	H(CC3)	108.1980	0.000	1	108.1980	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.7431	1.028	122	107.7431	1.056	122	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	H(CC3)	108.0900	1.074	435	108.0900	1.153	435	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.8445	1.058	4	107.8445	1.120	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCOO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCOO)(H)2	H(CC3)	107.8570	0.000	1	107.8570	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CCOP)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCOP)(H)2	H(CC3)	108.1810	0.314	2	108.1810	0.099	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHN)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHHN)(H)2	H(CC3)	108.2164	0.234	7	108.2164	0.055	7	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHHO)(H)2	H(CC3)	107.2519	2.476	14	107.2519	6.133	14	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHP)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHHP)(H)2	H(CC3)	107.9515	0.121	2	107.9515	0.015	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHS)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHHS)(H)2	H(CC3)	107.3140	0.871	2	107.3140	0.759	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHNN)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHNN)(H)2	H(CC3)	108.0190	0.000	1	108.0190	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHNP)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHNP)(H)2	H(CC3)	108.4905	0.177	2	108.4905	0.032	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)(CHOP)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)(CHOP)(H)2	H(CC3)	107.7090	0.000	1	107.7090	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	H(CC3)	107.8628	0.440	29	107.8628	0.194	29	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[5]BrH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[5]BrH)(CCCH)(H)2	H(CC3)	108.4750	0.000	1	108.4750	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[5]HN)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[5]HN)(CCCH)(H)2	H(CC3)	107.7850	0.629	2	107.7850	0.396	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[5a]HN)(CCCH)(H)2	H(CC3)	108.3020	0.000	1	108.3020	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6]2H)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6]2H)(CCCH)(H)2	H(CC3)	108.0817	0.159	4	108.0817	0.025	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	103.4080	0.000	1	103.4080	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6]HO)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6]HO)(CCCH)(H)2	H(CC3)	107.8583	0.573	6	107.8583	0.328	6	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6a]2C)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6a]2C)(CCCH)(H)2	H(CC3)	108.1890	0.000	1	108.1890	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6a]2H)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6a]2H)(CCCH)(H)2	H(CC3)	107.9735	0.202	2	107.9735	0.041	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(CCCH)(H)2	H(CC3)	108.4397	0.114	3	108.4397	0.013	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	107.5980	0.000	1	107.5980	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(H)2	H(CC3)	108.2060	0.000	1	108.2060	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CFeCC)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CFeCC)(CCCH)(H)2	H(CC3)	107.7740	0.000	1	107.7740	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CGeHH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CGeHH)(CCCH)(H)2	H(CC3)	109.4030	0.000	1	109.4030	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[5]CH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[5]CH)(CCCH)(H)2	H(CC3)	108.1376	0.453	5	108.1376	0.205	5	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[5]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[5]HH)(CCCH)(H)2	H(CC3)	106.9600	2.102	3	106.9600	4.418	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[5a]CH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[5a]CH)(CCCH)(H)2	H(CC3)	108.5770	0.145	3	108.5770	0.021	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[5a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[5a]HH)(CCCH)(H)2	H(CC3)	108.0910	0.055	2	108.0910	0.003	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[6]CH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[6]CH)(CCCH)(H)2	H(CC3)	108.2500	0.000	1	108.2500	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CN[6]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CN[6]HH)(CCCH)(H)2	H(CC3)	110.3913	3.416	6	110.3913	11.671	6	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)2(H)	C(CP[5]HO)(CCCH)(H)2	H(CC3)	C(CCHH)(CH3)2(H)	C(CP[5]HO)(CCCH)(H)2	H(CC3)	108.4190	0.000	1	108.4190	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.9330	0.000	1	107.9330	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.9442	1.135	4	107.9442	1.288	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	107.0660	0.000	1	107.0660	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.8150	0.000	1	108.8150	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	108.2150	0.454	2	108.2150	0.206	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	108.3870	0.000	1	108.3870	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.9041	0.366	8	107.9041	0.134	8	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	104.6669	5.244	6	104.6669	27.495	6	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	108.1600	0.000	1	108.1600	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HO)(CCCH)(H)2	H(CC3)	105.9050	0.000	1	105.9050	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	H(CC3)	108.4550	0.000	1	108.4550	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)2(H)	C(CN[5a]HH)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHO)2(H)	C(CN[5a]HH)(CCCH)(H)2	H(CC3)	107.0450	0.000	1	107.0450	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(CC3)(H)2	H(CC3)	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(CC3)(H)2	H(CC3)	108.4328	0.496	5	108.4328	0.246	5	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.2715	0.554	14	106.2715	0.307	14	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CC3)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	C(CCHH)2(CC3)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	106.5830	0.805	11	106.5830	0.648	11	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CC3)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)2(CC3)(H)	C(CCCH)2(H)2	H(CC3)	107.0870	0.000	2	107.0870	0.000	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CC3)(H)	C(CC[5a]2H)(CCCH)(H)2	H(CC3)	C(CCHH)2(CC3)(H)	C(CC[5a]2H)(CCCH)(H)2	H(CC3)	107.5020	0.000	1	107.5020	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.2002	0.024	4	107.2002	0.001	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	110.3945	1.175	2	110.3945	1.379	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CC3)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CC3)(H)2	H(CC3)	108.1335	0.177	2	108.1335	0.032	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CCCO)(H)2	H(CC3)	108.2080	0.509	2	108.2080	0.259	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.9642	1.581	17	106.9642	2.498	17	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	106.5570	0.940	4	106.5570	0.884	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.6218	1.338	5	108.6218	1.790	5	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CHHN)(H)2	H(CC3)	107.9945	0.330	2	107.9945	0.109	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	108.2770	0.000	1	108.2770	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)(CHHS)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)(CHHS)(H)2	H(CC3)	107.2850	0.000	1	107.2850	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	H(CC3)	107.4634	0.849	7	107.4634	0.721	7	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[3]HH)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[3]HH)(CCCH)(H)2	H(CC3)	108.4460	0.000	1	108.4460	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	108.2540	0.467	2	108.2540	0.218	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	H(CC3)	108.0135	0.407	2	108.0135	0.165	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	H(CC3)	107.9593	0.255	3	107.9593	0.065	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	H(CC3)	107.5393	0.570	3	107.5393	0.325	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	H(CC3)	108.2630	0.000	1	108.2630	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CH3)(H)	C(CC[6a]CO)(CCCH)(H)2	H(CC3)	C(CCHH)2(CH3)(H)	C(CC[6a]CO)(CCCH)(H)2	H(CC3)	108.9560	0.000	1	108.9560	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHN)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CHHN)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	99.9212	0.000	1	99.9212	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CHHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	99.8880	0.000	1	99.8880	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHN)(H)	C(CCCH)2(H)2	H(CC3)	C(CCHH)2(CHHN)(H)	C(CCCH)2(H)2	H(CC3)	108.2683	0.332	23	108.2683	0.110	23	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.6330	1.871	2	106.6330	3.501	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.4809	0.819	11	107.4809	0.671	11	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHO)(H)	C(CC[6a]HO)(CCCH)(H)2	H(CC3)	C(CCHH)2(CHHO)(H)	C(CC[6a]HO)(CCCH)(H)2	H(CC3)	107.9700	0.000	1	107.9700	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHS)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)2(CHHS)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.1370	0.000	1	107.1370	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(CHHS)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CCHH)2(CHHS)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.1580	0.000	1	107.1580	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)3(H)	C(CCCH)(CCCO)(H)2	H(CC3)	C(CCHH)3(H)	C(CCCH)(CCCO)(H)2	H(CC3)	108.1930	0.000	1	108.1930	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)3(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCHH)3(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.0930	0.034	2	108.0930	0.001	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.5323	0.230	4	106.5323	0.053	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	108.1385	0.015	2	108.1385	0.000	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CC[3]HH)(CCCH)(H)2	H(CC3)	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CC[3]HH)(CCCH)(H)2	H(CC3)	106.4720	0.000	1	106.4720	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	114.0520	0.000	1	114.0520	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	104.6870	0.000	1	104.6870	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.2660	0.000	1	107.2660	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.2680	0.000	1	108.2680	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC3)	108.3490	0.000	1	108.3490	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.5730	1.558	2	106.5730	2.429	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[5]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	106.5440	1.496	2	106.5440	2.239	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)2(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[5]HH)2(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.1920	0.426	2	108.1920	0.181	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	102.8360	0.000	1	102.8360	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.6922	0.685	6	107.6922	0.469	6	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.5033	0.448	3	107.5033	0.201	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCCH)(CHHO)(H)2	H(CC3)	106.4010	0.000	1	106.4010	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[5a]HO)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[5a]HO)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.3615	0.033	2	107.3615	0.001	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6]CH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.5920	0.000	1	106.5920	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]CH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6]CH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	106.5540	0.000	1	106.5540	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CC3)(H)	C(CCCH)(CHHS)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CC3)(H)	C(CCCH)(CHHS)(H)2	H(CC3)	107.3920	0.440	2	107.3920	0.193	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CC3)(H)	C(CN[6]HH)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CC3)(H)	C(CN[6]HH)(CCCH)(H)2	H(CC3)	107.0800	0.000	1	107.0800	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	103.8785	3.740	2	103.8785	13.987	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	105.7835	3.071	4	105.7835	9.431	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.7940	0.000	1	106.7940	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CC)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]CC)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.2330	0.000	1	108.2330	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.3598	0.319	4	108.3598	0.102	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.6010	0.059	2	107.6010	0.004	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.0210	0.000	1	108.0210	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	106.7760	0.157	2	106.7760	0.025	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.2330	0.000	1	107.2330	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	107.8095	0.146	2	107.8095	0.021	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.2300	0.000	1	107.2300	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)2(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)2(H)2	H(CC3)	107.4120	0.000	1	107.4120	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	107.1935	0.614	2	107.1935	0.378	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCHO)(H)2	H(CC3)	107.0760	0.000	1	107.0760	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	105.5050	0.000	1	105.5050	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	109.1610	0.000	1	109.1610	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(H)2	H(CC3)	108.4090	0.000	1	108.4090	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CC[6a]HO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.7225	0.029	2	106.7225	0.001	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CCoCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.0510	0.000	1	108.0510	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCoCH)(CCHH)2(H)	C(CCoCH)(CCCH)(H)2	H(CC3)	C(CCoCH)(CCHH)2(H)	C(CCoCH)(CCCH)(H)2	H(CC3)	108.1060	0.000	1	108.1060	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.9720	0.638	3	107.9720	0.407	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.5120	0.095	2	107.5120	0.009	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.1717	0.425	6	108.1717	0.180	6	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.6087	1.757	3	106.6087	3.087	3	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.5300	1.251	7	107.5300	1.564	7	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.3658	0.201	4	108.3658	0.040	4	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CN[5a]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	H(CC3)	106.0560	0.000	1	106.0560	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[5a]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	105.9740	0.000	1	105.9740	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CN[6a]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CN[6a]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.1400	0.033	2	108.1400	0.001	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(CCHP)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	C(CPtCH)(CCHH)(CCHP)(H)	C(CCCH)(CCHH)(H)2	H(CC3)	108.0180	0.000	1	108.0180	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRhCH)(CCHH)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	C(CRhCH)(CCHH)2(H)	C(CC[6a]HH)(CCCH)(H)2	H(CC3)	106.8560	0.000	1	106.8560	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CRhCH)(CCHH)2(H)	C(CRhCC)(CCCH)(H)2	H(CC3)	C(CRhCH)(CCHH)2(H)	C(CRhCC)(CCCH)(H)2	H(CC3)	106.8830	0.000	1	106.8830	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	C(CSiCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	H(CC3)	105.7740	0.000	1	105.7740	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CBCH)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CSiHH)(CBCH)(CCHH)(H)	C(CCCH)(CH3)(H)2	H(CC3)	108.3250	0.000	1	108.3250	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CH3)(H)2	H(CC3)	107.3200	0.000	1	107.3200	0.000	1	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CTa2C)(CCHH)(CH3)(H)	C(CC[6]TaH)(CCCH)(H)2	H(CC3)	C(CTa2C)(CCHH)(CH3)(H)	C(CC[6]TaH)(CCCH)(H)2	H(CC3)	108.7800	0.822	2	108.7800	0.675	2	107.6722	1.760	1197	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	H(CC3)	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	H(CC3)	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NH3)(H)2	H(CC3)	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NH3)(H)2	H(CC3)	107.9210	0.000	1	107.9210	0.000	1	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(NH3)(H)2	H(CC3)	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(NH3)(H)2	H(CC3)	107.9177	1.102	4	107.9177	1.213	4	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHH)2(CHHN)(H)	C(CCCH)(NH3)(H)2	H(CC3)	C(CCHH)2(CHHN)(H)	C(CCCH)(NH3)(H)2	H(CC3)	107.9181	1.731	24	107.9181	2.995	24	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	H(CC3)	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	H(CC3)	107.4715	0.642	11	107.4715	0.412	11	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NCHH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NCHH)(H)2	H(CC3)	108.3573	0.392	10	108.3573	0.154	10	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(CCCH)(NH3)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(CCCH)(NH3)(H)2	H(CC3)	106.1793	5.982	9	106.1793	35.785	9	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CHHS)2(H)	C(CCCH)(NH3)(H)2	H(CC3)	C(CHHN)(CHHS)2(H)	C(CCCH)(NH3)(H)2	H(CC3)	108.6185	0.176	2	108.6185	0.031	2	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)2(CH3)(H)	C(CCCH)(NCCH)(H)2	H(CC3)	C(CHHN)2(CH3)(H)	C(CCCH)(NCCH)(H)2	H(CC3)	108.9245	0.175	4	108.9245	0.031	4	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CN[6]HH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	H(CC3)	C(CN[6]HH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	H(CC3)	108.6943	0.530	3	108.6943	0.281	3	107.7944	6.002	68	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(PO3)(H)2	H(CC3)	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(PO3)(H)2	H(CC3)	107.0165	0.141	2	107.0165	0.020	2	108.0479	0.359	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(PCSS)(H)2	H(CC3)	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(PCSS)(H)2	H(CC3)	108.4096	0.501	5	108.4096	0.251	5	108.0479	0.359	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(CCCH)(PC3)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(CCCH)(PC3)(H)2	H(CC3)	108.4730	0.000	1	108.4730	0.000	1	108.0479	0.359	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(CCCH)(PCSS)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(CCCH)(PCSS)(H)2	H(CC3)	108.0193	0.369	6	108.0193	0.136	6	108.0479	0.359	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	107.4270	0.000	1	107.4270	0.000	1	107.6817	1.058	26	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	106.7100	0.000	1	106.7100	0.000	1	107.6817	1.058	26	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	107.4535	0.093	2	107.4535	0.009	2	107.6817	1.058	26	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(SiC3)(H)2	H(CC3)	107.2780	0.000	1	107.2780	0.000	1	107.6817	1.058	26	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)2(H)	C(CCCH)(SiO3)(H)2	H(CC3)	C(CSiHH)(CH3)2(H)	C(CCCH)(SiO3)(H)2	H(CC3)	107.7810	1.117	21	107.7810	1.248	21	107.6817	1.058	26	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	H(CC3)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	H(CC3)	106.5460	0.247	4	106.5460	0.061	4	106.5460	0.061	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	H(CC3)	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	H(CC3)	108.1710	0.003	2	108.1710	0.000	2	108.1710	0.000	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:	C(CC[3x6]HH)(CH3)2(H)	C(C[3x6]C[6,6]3)(CCCH)(H)2	H(CC3)	C(CC[3x6]HH)(CH3)2(H)	C(C[3x6]C[6,6]3)(CCCH)(H)2	H(CC3)	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	H(CC3)	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	H(CC3)	108.4320	0.000	1	108.4320	0.000	1	108.8407	0.882	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	H(CC3)	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	H(CC3)	109.0450	1.230	2	109.0450	1.514	2	108.8407	0.882	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2C)(CCCH)(H)2	H(CC3)	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2C)(CCCH)(H)2	H(CC3)	108.0480	0.000	1	108.0480	0.000	1	107.9992	0.091	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2N)(CCCH)(H)2	H(CC3)	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2N)(CCCH)(H)2	H(CC3)	107.7877	0.272	3	107.7877	0.074	3	107.9992	0.091	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]N[4]H)(CCCH)(H)2	H(CC3)	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]N[4]H)(CCCH)(H)2	H(CC3)	108.2920	0.018	2	108.2920	0.000	2	107.9992	0.091	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	H(CC3)	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	H(CC3)	108.4360	0.115	2	108.4360	0.013	2	107.9810	1.109	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	H(CC3)	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	H(CC3)	108.6410	0.000	1	108.6410	0.000	1	107.9810	1.109	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	H(CC3)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	H(CC3)	106.4110	0.000	1	106.4110	0.000	1	107.9810	1.109	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	H(CC3)	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	H(CC3)	108.9820	0.000	1	108.9820	0.000	1	108.6060	0.283	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	H(CC3)	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	H(CC3)	108.2300	0.000	1	108.2300	0.000	1	108.6060	0.283	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCH)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCCH)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	105.6030	0.000	1	105.6030	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCO)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCCO)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(CC3)	107.2700	0.000	1	107.2700	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCCO)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCCO)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	106.9870	0.000	1	106.9870	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	H(CC3)	108.4140	0.000	1	108.4140	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	H(CC3)	108.2650	0.000	1	108.2650	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CCHH)2(H)	C(C[5]C[5,6a]2C)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CCHH)2(H)	C(C[5]C[5,6a]2C)(CCCH)(H)2	H(CC3)	106.5435	1.580	2	106.5435	2.498	2	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	H(CC3)	108.0200	0.000	1	108.0200	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	H(CC3)	108.2380	0.000	1	108.2380	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	H(CC3)	108.1320	0.000	1	108.1320	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	H(CC3)	108.0340	0.000	1	108.0340	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	H(CC3)	108.1240	0.000	1	108.1240	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	H(CC3)	107.9512	0.568	13	107.9512	0.323	13	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	H(CC3)	105.9470	0.000	1	105.9470	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCCH)(H)2	H(CC3)	105.2135	1.647	2	105.2135	2.712	2	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(H)2	H(CC3)	108.2870	0.621	2	108.2870	0.385	2	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Ir)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Ir)(CCCH)(H)2	H(CC3)	107.9660	0.000	1	107.9660	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2N)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2N)(CCCH)(H)2	H(CC3)	108.2610	0.076	2	108.2610	0.006	2	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Rh)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Rh)(CCCH)(H)2	H(CC3)	108.2720	0.000	1	108.2720	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(H)2	H(CC3)	108.3192	0.428	4	108.3192	0.183	4	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	H(CC3)	108.1343	0.406	27	108.1343	0.165	27	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]O)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]O)(CCCH)(H)2	H(CC3)	108.3807	0.128	3	108.3807	0.016	3	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(H)2	H(CC3)	108.2070	0.000	1	108.2070	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	H(CC3)	108.2110	0.000	1	108.2110	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5]H)(CCCH)(H)2	H(CC3)	108.1170	0.000	1	108.1170	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	H(CC3)	108.0670	0.000	1	108.0670	0.000	1	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	H(CC3)	107.1330	0.000	2	107.1330	0.000	2	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(CH3)2(H)	C(C[5]O[5]2C)(CCCH)(H)2	H(CC3)	C(CC[5]HH)(CH3)2(H)	C(C[5]O[5]2C)(CCCH)(H)2	H(CC3)	108.1205	0.149	2	108.1205	0.022	2	107.9000	0.648	76	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	H(CC3)	107.2837	0.416	3	107.2837	0.173	3	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	H(CC3)	108.1140	0.791	2	108.1140	0.625	2	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	H(CC3)	107.6290	0.000	1	107.6290	0.000	1	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHN)(CH3)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CCHN)(CH3)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	107.3883	0.714	3	107.3883	0.509	3	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	H(CC3)	107.9254	0.382	14	107.9254	0.146	14	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	H(CC3)	108.4090	0.000	1	108.4090	0.000	1	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	H(CC3)	108.1860	0.000	1	108.1860	0.000	1	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(H)2	H(CC3)	107.6110	0.000	1	107.6110	0.000	1	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	H(CC3)	108.0389	0.645	19	108.0389	0.415	19	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	107.3945	0.265	2	107.3945	0.070	2	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	H(CC3)	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	H(CC3)	107.5270	0.000	1	107.5270	0.000	1	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	H(CC3)	107.2770	0.000	1	107.2770	0.000	1	107.8646	0.319	49	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:O-1:	C-4:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	H(CC3)	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	H(CC3)	107.8617	0.496	3	107.8617	0.246	3	107.8617	0.246	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	Ge-4:C-4:H-1:H-1:	C-4:	C(CGeHH)(CH3)2(H)	C(GeGeCC)(CCCH)(H)2	H(CC3)	C(CGeHH)(CH3)2(H)	C(GeGeCC)(CCCH)(H)2	H(CC3)	108.0878	0.202	6	108.0878	0.041	6	108.0878	0.041	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	In[6]-4:C-4:H-1:H-1:	C-4:	C(CIn[6]HH)(CH3)2(H)	C(In[6]N[6]O[6]C)(CCCH)(H)2	H(CC3)	C(CIn[6]HH)(CH3)2(H)	C(In[6]N[6]O[6]C)(CCCH)(H)2	H(CC3)	107.9567	0.228	6	107.9567	0.052	6	107.9567	0.052	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCCO)(CHHN)(CH3)(H)	C(NZnCC)(CCCH)(H)2	H(CC3)	C(CCCO)(CHHN)(CH3)(H)	C(NZnCC)(CCCH)(H)2	H(CC3)	106.1830	0.000	1	106.1830	0.000	1	108.1236	1.105	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)2(H)	C(NCuCH)(CCCH)(H)2	H(CC3)	C(CCHH)(CHHN)2(H)	C(NCuCH)(CCCH)(H)2	H(CC3)	108.6120	2.567	2	108.6120	6.588	2	108.1236	1.105	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CHHN)2(H)	C(NCoCH)(CCCH)(H)2	H(CC3)	C(CC[6a]HH)(CHHN)2(H)	C(NCoCH)(CCCH)(H)2	H(CC3)	108.9520	0.004	2	108.9520	0.000	2	108.1236	1.105	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NC[6]CuH)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NC[6]CuH)(CCCH)(H)2	H(CC3)	108.0687	0.601	3	108.0687	0.361	3	108.1236	1.105	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NCuCH)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NCuCH)(CCCH)(H)2	H(CC3)	108.4950	0.288	2	108.4950	0.083	2	108.1236	1.105	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NFeCC)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NFeCC)(CCCH)(H)2	H(CC3)	108.0645	0.467	2	108.0645	0.218	2	108.1236	1.105	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)2(H)	C(NPdCH)(CCCH)(H)2	H(CC3)	C(CHHN)(CH3)2(H)	C(NPdCH)(CCCH)(H)2	H(CC3)	107.5475	0.424	2	107.5475	0.179	2	108.1236	1.105	14	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:	C(CN[5,5]HH)(CH3)2(H)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	H(CC3)	C(CN[5,5]HH)(CH3)2(H)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	H(CC3)	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(PC[6a]3)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(PC[6a]3)(CCCH)(H)2	H(CC3)	108.6200	0.000	1	108.6200	0.000	1	108.3088	0.495	8	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(PC[6a]Pt2)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(PC[6a]Pt2)(CCCH)(H)2	H(CC3)	107.5530	0.748	2	107.5530	0.560	2	108.3088	0.495	8	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(PC[6a]PtO)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(PC[6a]PtO)(CCCH)(H)2	H(CC3)	109.4040	0.000	1	109.4040	0.000	1	108.3088	0.495	8	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(PCoCC)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(PCoCC)(CCCH)(H)2	H(CC3)	108.3350	0.392	4	108.3350	0.154	4	108.3088	0.495	8	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:	C(CP[4]HH)(CH3)2(H)	C(P[4]S[4]2C)(CCCH)(H)2	H(CC3)	C(CP[4]HH)(CH3)2(H)	C(P[4]S[4]2C)(CCCH)(H)2	H(CC3)	108.1000	0.164	2	108.1000	0.027	2	108.1000	0.027	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	H(CC3)	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	H(CC3)	108.3340	0.000	1	108.3340	0.000	1	108.1457	0.033	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	H(CC3)	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	H(CC3)	108.1260	0.000	1	108.1260	0.000	1	108.1457	0.033	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	H(CC3)	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	H(CC3)	108.1035	0.202	4	108.1035	0.041	4	108.1457	0.033	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:	C(CP[6]HH)(CH3)2(H)	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	H(CC3)	C(CP[6]HH)(CH3)2(H)	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	H(CC3)	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CBCH)(CCHH)(H)	C(SiCCO)(CCCH)(H)2	H(CC3)	C(CSiHH)(CBCH)(CCHH)(H)	C(SiCCO)(CCCH)(H)2	H(CC3)	108.3030	0.000	1	108.3030	0.000	1	107.9038	0.256	15	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)2(H)	C(SiCCO)(CCCH)(H)2	H(CC3)	C(CSiHH)(CH3)2(H)	C(SiCCO)(CCCH)(H)2	H(CC3)	107.9270	0.606	7	107.9270	0.368	7	107.9038	0.256	15	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)2(H)	C(SiCOO)(CCCH)(H)2	H(CC3)	C(CSiHH)(CH3)2(H)	C(SiCOO)(CCCH)(H)2	H(CC3)	107.7122	0.360	6	107.7122	0.130	6	107.9038	0.256	15	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)2(H)	C(SiC[6a]3)(CCCH)(H)2	H(CC3)	C(CSiHH)(CH3)2(H)	C(SiC[6a]3)(CCCH)(H)2	H(CC3)	108.4920	0.000	1	108.4920	0.000	1	107.9038	0.256	15	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.1205	0.192	2	107.1205	0.037	2	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CF3)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CF3)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.9540	0.000	1	107.9540	0.000	1	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CFHP)(NH3)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CFHP)(NH3)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.7890	0.000	1	107.7890	0.000	1	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	109.2770	0.467	2	109.2770	0.218	2	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	106.7450	2.817	4	106.7450	7.934	4	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CH3)(NH3)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CH3)(NH3)(H)	C(CC[6a]HH)(CCHN)(H)2	H(CCCN)	107.7278	0.654	4	107.7278	0.428	4	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.7316	1.476	7	108.7316	2.178	7	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.0975	0.530	2	108.0975	0.281	2	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.3155	1.671	4	108.3155	2.793	4	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCCH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	110.1140	0.000	1	110.1140	0.000	1	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	108.2150	0.599	4	108.2150	0.359	4	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CCHH)2(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.4257	4.101	96	106.4257	16.821	96	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(NH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)2(NH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	109.1230	0.000	1	109.1230	0.000	1	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(CClHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(CClHH)(CCHN)(H)2	H(CCCN)	107.8430	0.000	1	107.8430	0.000	1	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.8730	0.000	1	106.8730	0.000	1	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	107.6503	0.334	3	107.6503	0.112	3	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CNiOO)(CCHH)(NH3)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(CNiOO)(CCHH)(NH3)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.0260	0.000	1	108.0260	0.000	1	106.9012	13.019	135	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NH3)(H)2	H(CCCN)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NH3)(H)2	H(CCCN)	107.2390	0.000	1	107.2390	0.000	1	108.0995	6.348	29	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	109.4050	0.000	1	109.4050	0.000	1	108.0995	6.348	29	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NH3)(H)2	H(CCCN)	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NH3)(H)2	H(CCCN)	108.0830	2.596	27	108.0830	6.742	27	108.0995	6.348	29	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	C-4:P-4:F-1:H-1:	C-4:	C(CCHH)(CFHP)(NH3)(H)	C(CCHN)(PO3)(F)(H)	H(CCCN)	C(CCHH)(CFHP)(NH3)(H)	C(CCHN)(PO3)(F)(H)	H(CCCN)	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:N-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CHHP)(CC3)(NH3)(H)	C(PC[6a]2O)(CCHN)(H)2	H(CCCN)	C(CHHP)(CC3)(NH3)(H)	C(PC[6a]2O)(CCHN)(H)2	H(CCCN)	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:P-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(CBHH)(CH3)(PC3)(H)	C(BC[6a]3)(CCHP)(H)2	H(CCCP)	C(CBHH)(CH3)(PC3)(H)	C(BC[6a]3)(CCHP)(H)2	H(CCCP)	106.3760	0.000	1	106.3760	0.000	1	106.3760	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(CCHH)(PO3)(H)	C(CCHN)(CCHP)(H)2	H(CCCP)	C(CC[6]HH)(CCHH)(PO3)(H)	C(CCHN)(CCHP)(H)2	H(CCCP)	109.4100	0.000	1	109.4100	0.000	1	107.4775	7.469	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CPtCH)(CCHH)(PCCN)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	C(CPtCH)(CCHH)(PCCN)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	105.5450	0.000	1	105.5450	0.000	1	107.4775	7.469	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:P-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(CRuHH)(CHHP)(PC3)(H)	C(PRuCC)(CCHP)(H)2	H(CCCP)	C(CRuHH)(CHHP)(PC3)(H)	C(PRuCC)(CCHP)(H)2	H(CCCP)	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCCH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCCH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.3020	1.302	2	107.3020	1.696	2	108.4059	0.336	19	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(CCHH)(NCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.5156	0.304	14	108.5156	0.092	14	108.4059	0.336	19	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	H(CCCN)	108.7050	0.607	2	108.7050	0.368	2	108.4059	0.336	19	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	108.4800	0.000	1	108.4800	0.000	1	108.4059	0.336	19	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(NCCH)(H)2	H(CCCN)	108.1120	0.000	1	108.1120	0.000	1	105.9433	5.599	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NCCV)(CH3)(H)	C(CCHN)(NCCV)(H)2	H(CCCN)	C(CHHN)(NCCV)(CH3)(H)	C(CCHN)(NCCV)(H)2	H(CCCN)	106.3240	0.000	1	106.3240	0.000	1	105.9433	5.599	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(NHHV)(CH3)(H)	C(CCHN)(NHHV)(H)2	H(CCCN)	C(CHHN)(NHHV)(CH3)(H)	C(CCHN)(NHHV)(H)2	H(CCCN)	104.6685	2.949	2	104.6685	8.699	2	105.9433	5.599	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(NZnHH)(CHHN)(H)	C(NZnHH)(CCHN)(H)2	H(CCCN)	C(CC[6a]HH)(NZnHH)(CHHN)(H)	C(NZnHH)(CCHN)(H)2	H(CCCN)	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NCHH)(PO3)(H)	C(CHNP)(CH3)(H)2	H(CCNP)	C(CCHH)(NCHH)(PO3)(H)	C(CHNP)(CH3)(H)2	H(CCNP)	106.8120	0.000	1	106.8120	0.000	1	107.0713	0.137	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NH3)(PO3)(H)	C(CHNP)(CH3)(H)2	H(CCNP)	C(CCHH)(NH3)(PO3)(H)	C(CHNP)(CH3)(H)2	H(CCNP)	107.2010	0.416	2	107.2010	0.173	2	107.0713	0.137	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:P-4:P-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(PO3)2(H)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	H(CCPP)	C(CC[5]HH)(PO3)2(H)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	H(CCPP)	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:P-4:P-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(CHHN)(PO3)2(H)	C(NPtCH)(CHPP)(H)2	H(CCPP)	C(CHHN)(PO3)2(H)	C(NPtCH)(CHPP)(H)2	H(CCPP)	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:P-4:Si-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	H(CSiCP)	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	H(CSiCP)	106.2480	0.000	1	106.2480	0.000	1	106.2480	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	106.4217	0.634	3	106.4217	0.402	3	105.9506	0.640	5	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CCHS)(H)2	H(CCCS)	105.2440	0.304	2	105.2440	0.092	2	105.9506	0.640	5	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:S-4:S-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(SCOO)2(H)	C(CHSS)2(H)2	H(CCSS)	C(CCHH)(SCOO)2(H)	C(CHSS)2(H)2	H(CCSS)	109.8765	0.363	4	109.8765	0.132	4	109.8765	0.132	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	H(CC[3,5]CC)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	H(CC[3,5]CC)	107.0520	0.000	1	107.0520	0.000	1	106.8823	0.173	12	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CCHH)(H)2	H(CC[3,5]CC)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CCHH)(H)2	H(CC[3,5]CC)	106.7872	0.430	9	106.7872	0.185	9	106.8823	0.173	12	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CC[3]HH)(H)2	H(CC[3,5]CC)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CC[3]HH)(H)2	H(CC[3,5]CC)	107.2255	0.286	2	107.2255	0.082	2	106.8823	0.173	12	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	H(CC[3,5]CC)	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	H(CC[3,5]CC)	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	H(CC[3,5]CC)	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	H(CC[3,5]CC)	107.6600	0.000	1	107.6600	0.000	1	107.5720	0.015	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	H(CC[3,5]CC)	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	H(CC[3,5]CC)	107.4840	0.000	1	107.4840	0.000	1	107.5720	0.015	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]2C)(CCHH)2(H)	C(CC[3]CH)(CCHH)(H)2	H(CC[3]CC)	C(C[3]C[3]2C)(CCHH)2(H)	C(CC[3]CH)(CCHH)(H)2	H(CC[3]CC)	107.4975	0.309	2	107.4975	0.095	2	107.6199	0.327	11	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(CC[3]CH)(CCHH)(H)2	H(CC[3]CC)	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(CC[3]CH)(CCHH)(H)2	H(CC[3]CC)	107.2815	0.380	2	107.2815	0.144	2	107.6199	0.327	11	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(CC[3]CH)(CCHH)(H)2	H(CC[3]CC)	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(CC[3]CH)(CCHH)(H)2	H(CC[3]CC)	107.4352	0.507	4	107.4352	0.257	4	107.6199	0.327	11	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CC[3]CH)(CH3)(H)2	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CC[3]CH)(CH3)(H)2	H(CC[3]CC)	108.1733	0.688	3	108.1733	0.473	3	107.6199	0.327	11	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	H(CC[3]CC)	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	H(CC[3]CC)	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2O)(CC[3]CH)(H)2	H(CC[3]CC)	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2O)(CC[3]CH)(H)2	H(CC[3]CC)	107.4273	0.531	4	107.4273	0.282	4	107.4273	0.282	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x5,6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CC[3x5,6]CH)(CCHH)(H)2	H(CC[3x5,6]CC)	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CC[3x5,6]CH)(CCHH)(H)2	H(CC[3x5,6]CC)	107.3360	0.201	2	107.3360	0.040	2	107.3360	0.040	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[3x6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CC[3x6]CH)(CCHH)(H)2	H(CC[3x6]CC)	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CC[3x6]CH)(CCHH)(H)2	H(CC[3x6]CC)	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[4,5,5,3x6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	H(CC[4,5,5,3x6]CC)	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	H(CC[4,5,5,3x6]CC)	105.4630	0.000	1	105.4630	0.000	1	105.4630	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(CC[4]CH)(CH3)(H)2	H(CC[4]CC)	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(CC[4]CH)(CH3)(H)2	H(CC[4]CC)	107.6720	0.000	1	107.6720	0.000	1	107.7570	0.014	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CC[4]CH)(CH3)(H)2	H(CC[4]CC)	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CC[4]CH)(CH3)(H)2	H(CC[4]CC)	107.8420	0.000	1	107.8420	0.000	1	107.7570	0.014	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[4]-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[4]C[4]2H)(CHHN)(CH3)(H)	C(CC[4]CH)(NC3)(H)2	H(CC[4]CC)	C(C[4]C[4]2H)(CHHN)(CH3)(H)	C(CC[4]CH)(NC3)(H)2	H(CC[4]CC)	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(CC[5,5,6]CC)	106.5503	0.884	3	106.5503	0.781	3	106.2446	0.454	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	H(CC[5,5,6]CC)	106.0153	0.474	4	106.0153	0.224	4	106.2446	0.454	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CH3)(H)2	H(CC[5,5]CC)	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CH3)(H)2	H(CC[5,5]CC)	107.6420	0.000	1	107.6420	0.000	1	106.9180	0.442	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCHH)(H)2	H(CC[5,5]CC)	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCHH)(H)2	H(CC[5,5]CC)	106.5560	0.311	2	106.5560	0.097	2	106.9180	0.442	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:Br-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CC[5]CH)(CBrHH)(Br)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CC[5]CH)(CBrHH)(Br)(H)	H(CC[5]CC)	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]B[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]B[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	106.6570	0.038	2	106.6570	0.001	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[5]CC)	105.4970	0.000	1	105.4970	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CC)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CC)	106.7060	0.373	3	106.7060	0.139	3	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HO)(H)2	H(CC[5]CC)	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HO)(H)2	H(CC[5]CC)	106.5980	0.000	1	106.5980	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC3)(H)2	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC3)(H)2	H(CC[5]CC)	107.0550	0.000	1	107.0550	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	106.8990	0.000	1	106.8990	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	106.7120	0.000	1	106.7120	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	106.6595	0.009	2	106.6595	0.000	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[4]HH)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[4]HH)(CC[5]CH)(H)2	H(CC[5]CC)	107.1120	0.000	1	107.1120	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	107.7893	0.879	3	107.7893	0.773	3	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.6101	0.821	285	107.6101	0.674	285	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	H(CC[5]CC)	108.2750	0.380	4	108.2750	0.145	4	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[5]CC)	106.5150	1.707	2	106.5150	2.914	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	H(CC[5]CC)	107.9800	0.000	1	107.9800	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	C(CC[5]CH)(CZrHO)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	C(CC[5]CH)(CZrHO)(H)2	H(CC[5]CC)	107.2780	0.000	1	107.2780	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	107.5018	0.320	8	107.5018	0.102	8	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]2H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]2H)(CC[5]CH)(H)2	H(CC[5]CC)	106.4110	0.103	2	106.4110	0.011	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CC)	105.9385	2.262	2	105.9385	5.117	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CC)	106.4776	0.623	16	106.4776	0.389	16	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HP)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HP)(H)2	H(CC[5]CC)	106.0779	0.325	9	106.0779	0.106	9	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)2(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)2(H)2	H(CC[5]CC)	107.1963	1.044	7	107.1963	1.089	7	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]ClH)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]ClH)(CC[5]CH)(H)2	H(CC[5]CC)	106.6277	0.201	3	106.6277	0.041	3	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	107.7089	0.428	8	107.7089	0.183	8	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	109.4250	0.000	1	109.4250	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	H(CC[5]CC)	106.0260	0.000	1	106.0260	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.0930	0.927	10	107.0930	0.860	10	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	H(CC[5]CC)	108.1160	0.000	1	108.1160	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.6190	0.000	1	107.6190	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.0943	0.657	3	107.0943	0.432	3	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	104.9835	0.141	2	104.9835	0.020	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.7700	0.000	1	107.7700	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CC)	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	H(CC[5]CC)	104.9660	0.000	1	104.9660	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	H(CC[5]CC)	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	H(CC[5]CC)	107.8690	0.204	2	107.8690	0.041	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CRuCC)(H)2	H(CC[5]CC)	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CRuCC)(H)2	H(CC[5]CC)	107.5850	0.345	2	107.5850	0.119	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	106.2750	0.000	1	106.2750	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.4200	0.000	1	107.4200	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	107.7590	1.014	6	107.7590	1.028	6	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.5384	0.582	14	107.5384	0.339	14	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	107.5980	0.000	1	107.5980	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	106.5830	0.000	1	106.5830	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	H(CC[5]CC)	107.4415	0.134	4	107.4415	0.018	4	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	107.7690	0.137	2	107.7690	0.019	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	H(CC[5]CC)	105.9210	0.000	1	105.9210	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	H(CC[5]CC)	106.9870	0.000	1	106.9870	0.000	1	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]N[5]O[5]H)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	C(C[5]N[5]O[5]H)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	H(CC[5]CC)	107.4655	0.016	2	107.4655	0.000	2	107.4358	0.787	423	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	108.0850	0.000	1	108.0850	0.000	1	106.6740	0.541	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	106.2040	0.018	2	106.2040	0.000	2	106.6740	0.541	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	106.9915	0.023	2	106.9915	0.001	2	106.6740	0.541	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(CC[5]CC)	106.1210	0.040	2	106.1210	0.002	2	106.6740	0.541	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	108.6350	0.000	1	108.6350	0.000	1	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	107.4480	0.000	1	107.4480	0.000	1	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	H(CC[5]CC)	107.9510	0.000	1	107.9510	0.000	1	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	107.3900	0.000	1	107.3900	0.000	1	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	107.6780	0.137	2	107.6780	0.019	2	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	108.1585	0.268	2	108.1585	0.072	2	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	108.2414	0.590	10	108.2414	0.349	10	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	H(CC[5]CC)	106.4320	0.000	1	106.4320	0.000	1	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(C[5]O[5]2H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(C[5]O[5]2H)(CC[5]CH)(H)2	H(CC[5]CC)	106.1290	0.000	1	106.1290	0.000	1	107.9036	0.575	20	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	H(CC[5]CC)	106.0670	0.000	1	106.0670	0.000	1	107.1070	0.821	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	H(CC[5]CC)	107.6270	0.139	2	107.6270	0.019	2	107.1070	0.821	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	H(CC[5]CC)	106.2110	0.000	1	106.2110	0.000	1	106.8253	0.831	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	H(CC[5]CC)	106.3920	0.000	1	106.3920	0.000	1	106.8253	0.831	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	H(CC[5]CC)	107.8730	0.000	1	107.8730	0.000	1	106.8253	0.831	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(CC[5]HN)(CCHH)(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(CC[5]HN)(CCHH)(H)2	H(CC[5]CN)	107.0800	0.000	1	107.0800	0.000	1	106.7357	1.346	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CN)	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	H(CC[5]CN)	106.6210	1.393	3	106.6210	1.939	3	106.7357	1.346	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(C[5]C[5]2Zr)(CCHH)(H)	C(CC[5]2H)(CC[5]CH)(H)2	H(CC[5]2C)	C(C[5]C[5]2Fe)(C[5]C[5]2Zr)(CCHH)(H)	C(CC[5]2H)(CC[5]CH)(H)2	H(CC[5]2C)	106.0870	0.023	2	106.0870	0.001	2	106.0870	0.001	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	H(CC[5]C[6]C)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	H(CC[5]C[6]C)	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	C(CC[5]C[6]H)(PC[6a]2Rh)(H)2	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]Rh)(C[6]C[6]2H)(CHHP)(H)	C(CC[5]C[6]H)(PC[6a]2Rh)(H)2	H(CC[5]C[6]C)	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CP)	106.3727	0.301	7	106.3727	0.091	7	106.6978	0.399	10	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CP)	107.4545	0.762	2	107.4545	0.580	2	106.6978	0.399	10	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CP)	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	H(CC[5]CP)	107.4600	0.000	1	107.4600	0.000	1	106.6978	0.399	10	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[5]-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C(CC[5]HH)(CC[5]HS)(H)2	H(CC[5]CS)	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C(CC[5]HH)(CC[5]HS)(H)2	H(CC[5]CS)	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CC[6,6]CH)(CCHH)(H)2	H(CC[6,6]CC)	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CC[6,6]CH)(CCHH)(H)2	H(CC[6,6]CC)	107.5250	0.000	1	107.5250	0.000	1	107.5250	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	105.7520	0.000	1	105.7520	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.8120	0.000	1	107.8120	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.8430	0.000	1	107.8430	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	104.8640	0.000	1	104.8640	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[5,5]HH)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[5,5]HH)(CC[6]CH)(H)2	H(CC[6]CC)	107.3030	0.000	1	107.3030	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	106.7755	0.258	2	106.7755	0.067	2	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	109.0880	0.000	1	109.0880	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	106.9282	2.183	6	106.9282	4.766	6	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	105.4690	2.388	9	105.4690	5.701	9	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	106.3885	0.827	2	106.3885	0.683	2	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	106.1380	0.000	1	106.1380	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	106.6065	1.268	2	106.6065	1.607	2	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	106.0680	0.587	3	106.0680	0.344	3	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CHHI)(H)2	H(CC[6]CC)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CHHI)(H)2	H(CC[6]CC)	105.8590	0.000	1	105.8590	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[3,5]HH)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[3,5]HH)(CC[6]CH)(H)2	H(CC[6]CC)	107.5245	0.169	2	107.5245	0.029	2	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[5]HH)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[5]HH)(CC[6]CH)(H)2	H(CC[6]CC)	106.4140	1.258	4	106.4140	1.583	4	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.2883	0.727	3	107.2883	0.528	3	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	H(CC[6]CC)	108.3810	0.184	2	108.3810	0.034	2	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	106.5480	0.000	1	106.5480	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	108.4740	0.218	2	108.4740	0.047	2	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6a]HH)(CC[6]CH)(H)2	H(CC[6]CC)	107.1160	0.000	1	107.1160	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCO)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCO)(H)2	H(CC[6]CC)	108.1630	0.000	1	108.1630	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	108.5270	0.000	1	108.5270	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	106.8596	0.603	8	106.8596	0.364	8	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	106.9375	0.142	2	106.9375	0.020	2	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	106.7300	0.000	1	106.7300	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	106.7090	0.000	1	106.7090	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	H(CC[6]CC)	108.6250	0.187	3	108.6250	0.035	3	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	107.0014	0.624	5	107.0014	0.389	5	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	H(CC[6]CC)	107.1320	0.000	1	107.1320	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	H(CC[6]CC)	107.9650	0.000	1	107.9650	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	H(CC[6]CC)	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	H(CC[6]CC)	107.0000	0.000	1	107.0000	0.000	1	106.8750	2.025	72	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:O-1:	C-4:	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	H(CC[6]CC)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	H(CC[6]CC)	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	C(CC[6]CH)(NCuCC)(H)2	H(CC[6]CC)	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	C(CC[6]CH)(NCuCC)(H)2	H(CC[6]CC)	108.1590	2.934	4	108.1590	8.609	4	108.1590	8.609	4	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(CC[6]CC)	108.2735	0.180	2	108.2735	0.033	2	108.2053	0.281	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	H(CC[6]CC)	108.6220	0.000	1	108.6220	0.000	1	108.2053	0.281	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	H(CC[6]CC)	108.6900	0.000	1	108.6900	0.000	1	108.2053	0.281	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	H(CC[6]CC)	107.6865	0.646	2	107.6865	0.417	2	108.2053	0.281	6	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]CH)(H)2	H(CC[6]CC)	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]CH)(H)2	H(CC[6]CC)	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[3]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	C(CC[3]C[6]H)(CH3)(H)2	H(CC[3]C[6]C)	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	C(CC[3]C[6]H)(CH3)(H)2	H(CC[3]C[6]C)	106.8050	0.000	1	106.8050	0.000	1	106.8050	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	C(CC[6]HS)(CC3)(H)2	H(CC[6]CS)	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	C(CC[6]HS)(CC3)(H)2	H(CC[6]CS)	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CuH)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[6]CuH)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.5250	0.000	1	107.5250	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]CuH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NC[6]CuH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	107.4840	0.000	1	107.4840	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	109.0290	0.000	1	109.0290	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CH3)(H)2	H(CCCN)	107.6550	0.010	2	107.6550	0.000	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	107.6515	0.013	2	107.6515	0.000	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	108.7240	0.000	1	108.7240	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]NiH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NC[6]NiH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	108.2990	0.447	2	108.2990	0.200	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	108.2345	0.200	2	108.2345	0.040	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.5000	0.000	2	106.5000	0.000	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NCoCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.2795	0.270	4	107.2795	0.073	4	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NCoCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	109.1464	1.036	5	109.1464	1.074	5	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCoCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	H(CCCN)	C(NCoCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	H(CCCN)	110.0080	0.000	1	110.0080	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NCrCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.5261	0.338	12	108.5261	0.114	12	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCrCH)(CCHH)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CCCN)	C(NCrCH)(CCHH)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	H(CCCN)	107.9330	0.334	2	107.9330	0.111	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NCuCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	109.2760	3.719	2	109.2760	13.834	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NCuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.4769	0.416	7	108.4769	0.173	7	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	H(CCCN)	C(NCuCH)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	H(CCCN)	108.2940	0.000	1	108.2940	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	C(NCuCH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	H(CCCN)	108.2600	0.000	1	108.2600	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NFeCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.5703	0.281	3	108.5703	0.079	3	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NFeCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NFeCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	107.8067	0.261	9	107.8067	0.068	9	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NIrCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	C(NIrCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	H(CCCN)	109.4060	0.000	1	109.4060	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NNiCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	107.0315	0.278	4	107.0315	0.077	4	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NNiCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.1514	0.441	73	108.1514	0.195	73	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CCHH)2(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	C(NPdCC)(CCHH)2(H)	C(CCHH)(CCHN)(H)2	H(CCCN)	106.2860	0.219	2	106.2860	0.048	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CCHH)2(H)	C(CCHN)2(H)2	H(CCCN)	C(NPdCC)(CCHH)2(H)	C(CCHN)2(H)2	H(CCCN)	106.2885	0.177	2	106.2885	0.032	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CCHH)2(H)	C(CC[6]HH)(CCHN)(H)2	H(CCCN)	C(NPdCC)(CCHH)2(H)	C(CC[6]HH)(CCHN)(H)2	H(CCCN)	106.7005	0.548	2	106.7005	0.300	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCC)(CCHH)2(H)	C(CN[6]CH)(CCHN)(H)2	H(CCCN)	C(NPdCC)(CCHH)2(H)	C(CN[6]CH)(CCHN)(H)2	H(CCCN)	106.8000	0.458	3	106.8000	0.210	3	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPdCH)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	H(CCCN)	C(NPdCH)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	H(CCCN)	106.8570	0.000	1	106.8570	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NPtCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	H(CCCN)	C(NPtCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	H(CCCN)	104.8927	2.431	3	104.8927	5.908	3	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRhCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NRhCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	108.4590	0.212	2	108.4590	0.045	2	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NRuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	C(NRuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	H(CCCN)	113.5410	0.000	1	113.5410	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(NZnCC)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	H(CCCN)	C(NZnCC)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	H(CCCN)	106.9320	0.000	1	106.9320	0.000	1	108.0343	1.080	156	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCoHH)(CHHN)(CH3)(H)	C(NCoHH)(CCHN)(H)2	H(CCCN)	C(NCoHH)(CHHN)(CH3)(H)	C(NCoHH)(CCHN)(H)2	H(CCCN)	107.0073	1.443	3	107.0073	2.081	3	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCC)(CCHN)(H)2	H(CCCN)	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCC)(CCHN)(H)2	H(CCCN)	108.7760	0.000	1	108.7760	0.000	1	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCH)(CCHN)(H)2	H(CCCN)	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCH)(CCHN)(H)2	H(CCCN)	108.4460	0.000	1	108.4460	0.000	1	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NCuHH)(CHHN)(CH3)(H)	C(NCuHH)(CCHN)(H)2	H(CCCN)	C(NCuHH)(CHHN)(CH3)(H)	C(NCuHH)(CCHN)(H)2	H(CCCN)	104.3994	5.516	11	104.3994	30.421	11	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLi2C)(CCCH)(CHHN)(H)	C(NLiCC)(CCHN)(H)2	H(CCCN)	C(NLi2C)(CCCH)(CHHN)(H)	C(NLiCC)(CCHN)(H)2	H(CCCN)	107.4140	0.000	1	107.4140	0.000	1	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnCC)(CHHN)(CH3)(H)	C(NMnCC)(CCHN)(H)2	H(CCCN)	C(NMnCC)(CHHN)(CH3)(H)	C(NMnCC)(CCHN)(H)2	H(CCCN)	106.2990	0.000	1	106.2990	0.000	1	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NMnHH)(CHHN)(CH3)(H)	C(NMnHH)(CCHN)(H)2	H(CCCN)	C(NMnHH)(CHHN)(CH3)(H)	C(NMnHH)(CCHN)(H)2	H(CCCN)	107.6973	0.507	3	107.6973	0.257	3	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCH)(CHHN)(CH3)(H)	C(NNiCH)(CCHN)(H)2	H(CCCN)	C(NNiCH)(CHHN)(CH3)(H)	C(NNiCH)(CCHN)(H)2	H(CCCN)	108.1235	0.135	2	108.1235	0.018	2	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiHH)(CHHN)(CH3)(H)	C(NNiHH)(CCHN)(H)2	H(CCCN)	C(NNiHH)(CHHN)(CH3)(H)	C(NNiHH)(CCHN)(H)2	H(CCCN)	105.8540	5.309	17	105.8540	28.187	17	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NZnHH)(CHHN)(CH3)(H)	C(NZnHH)(CCHN)(H)2	H(CCCN)	C(NZnHH)(CHHN)(CH3)(H)	C(NZnHH)(CCHN)(H)2	H(CCCN)	108.1385	0.804	4	108.1385	0.647	4	106.1764	19.623	44	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(NRuHH)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHN)(H)2	H(CCCN)	C(NRuHH)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHN)(H)2	H(CCCN)	108.5575	0.062	2	108.5575	0.004	2	108.5575	0.004	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CN[6]CH)(CCCH)(H)2	H(CN[6]CC)	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CN[6]CH)(CCCH)(H)2	H(CN[6]CC)	107.5210	0.000	1	107.5210	0.000	1	106.7446	0.374	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	H(CN[6]CC)	106.6230	0.604	3	106.6230	0.365	3	106.7446	0.374	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CN[6]CH)(CCHN)(H)2	H(CN[6]CC)	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CN[6]CH)(CCHN)(H)2	H(CN[6]CC)	106.6073	0.637	3	106.6073	0.405	3	106.7446	0.374	7	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	N[6]-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CN[6]CH)(NCuCH)(H)2	H(CN[6]CC)	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CN[6]CH)(NCuCH)(H)2	H(CN[6]CC)	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2B)(CBHH)(CH3)(H)	C(BC[6a]HP)(CCHP)(H)2	H(CCCP)	C(PC[6a]2B)(CBHH)(CH3)(H)	C(BC[6a]HP)(CCHP)(H)2	H(CCCP)	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PB[6]CC)(CPtCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	C(PB[6]CC)(CPtCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	101.9910	0.000	1	101.9910	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[5]CC)(CPdCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	C(PC[5]CC)(CPdCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	105.1300	0.000	1	105.1300	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	106.9070	0.371	2	106.9070	0.137	2	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	107.1930	0.914	2	107.1930	0.835	2	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2N)(CAlHH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	C(PC[6a]2N)(CAlHH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	H(CCCP)	107.1150	0.000	1	107.1150	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	H(CCCP)	104.1570	0.000	1	104.1570	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	105.2723	1.588	3	105.2723	2.522	3	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHP)(CHHO)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHP)(CHHO)(H)2	H(CCCP)	107.0320	0.000	1	107.0320	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHO)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHO)(H)2	H(CCCP)	106.9840	0.000	1	106.9840	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHP)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHP)(H)2	H(CCCP)	105.3902	1.318	5	105.3902	1.737	5	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(CCHP)(CHHP)(H)2	H(CCCP)	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(CCHP)(CHHP)(H)2	H(CCCP)	105.4668	1.232	6	105.4668	1.519	6	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	H(CCCP)	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	H(CCCP)	107.8775	0.309	2	107.8775	0.095	2	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	H(CCCP)	104.2590	0.000	1	104.2590	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	H(CCCP)	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	H(CCCP)	108.2460	0.000	1	108.2460	0.000	1	105.8728	2.536	28	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2C)(CIrHH)(CHHP)(H)	C(PIrCC)(CCHP)(H)2	H(CCCP)	C(PC[6a]2C)(CIrHH)(CHHP)(H)	C(PIrCC)(CCHP)(H)2	H(CCCP)	107.1230	0.000	1	107.1230	0.000	1	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Fe)(CHHP)(CH3)(H)	C(PC[6a]2Fe)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Fe)(CHHP)(CH3)(H)	C(PC[6a]2Fe)(CCHP)(H)2	H(CCCP)	107.7637	0.653	14	107.7637	0.426	14	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	C(PC[6a]2Ir)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	C(PC[6a]2Ir)(CCHP)(H)2	H(CCCP)	107.4690	0.000	1	107.4690	0.000	1	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ir)(CHHP)(CH3)(H)	C(PC[6a]2Ir)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Ir)(CHHP)(CH3)(H)	C(PC[6a]2Ir)(CCHP)(H)2	H(CCCP)	107.4270	0.748	3	107.4270	0.560	3	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	H(CCCP)	107.3792	0.386	4	107.3792	0.149	4	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	H(CCCP)	106.8350	0.171	2	106.8350	0.029	2	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]PdC)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]PdC)(CCHP)(H)2	H(CCCP)	108.0247	1.003	6	108.0247	1.005	6	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	C(PC[6a]2Rh)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	C(PC[6a]2Rh)(CCHP)(H)2	H(CCCP)	108.1250	0.000	1	108.1250	0.000	1	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Rh)(CHHP)(CH3)(H)	C(PC[6a]2Rh)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Rh)(CHHP)(CH3)(H)	C(PC[6a]2Rh)(CCHP)(H)2	H(CCCP)	107.6527	0.318	3	107.6527	0.101	3	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(H)2	H(CCCP)	C(PC[6a]2Ru)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(H)2	H(CCCP)	106.5311	1.551	8	106.5311	2.405	8	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]PdC)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(H)2	H(CCCP)	C(PC[6a]PdC)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(H)2	H(CCCP)	106.9737	0.187	3	106.9737	0.035	3	107.4164	0.922	46	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:P-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2O)2(CHHP)(H)	C(PC[6a]2O)(CHPP)(H)2	H(CCPP)	C(PC[6a]2O)2(CHHP)(H)	C(PC[6a]2O)(CHPP)(H)2	H(CCPP)	106.2410	1.959	4	106.2410	3.837	4	108.2976	24.026	5	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P-4:P-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PC[6a]2Ru)2(CHHP)(H)	C(PC[6a]2Ru)(CHPP)(H)2	H(CCPP)	C(PC[6a]2Ru)2(CHHP)(H)	C(PC[6a]2Ru)(CHPP)(H)2	H(CCPP)	116.5240	0.000	1	116.5240	0.000	1	108.2976	24.026	5	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)(CP[5]HH)(H)2	H(CP[5]CC)	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)(CP[5]HH)(H)2	H(CP[5]CC)	106.6020	0.000	1	106.6020	0.000	1	106.9234	1.001	9	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	H(CP[5]CC)	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	H(CP[5]CC)	107.8980	1.670	2	107.8980	2.790	2	106.9234	1.001	9	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	P[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	H(CP[5]CC)	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	H(CP[5]CC)	106.6522	0.745	6	106.6522	0.555	6	106.9234	1.001	9	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHI)(CCHS)(H)2	H(CCCS)	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHI)(CCHS)(H)2	H(CCCS)	109.8305	1.736	2	109.8305	3.014	2	109.0153	3.500	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	S-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CCHS)(CH3)(H)2	H(CCCS)	107.3850	0.000	1	107.3850	0.000	1	109.0153	3.500	3	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	S-4:S-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	H(CCSS)	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	H(CCSS)	105.4250	0.000	1	105.4250	0.000	1	106.8580	4.107	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	S-4:S-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	H(CCSS)	C(SC[6a]OO)2(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	H(CCSS)	108.2910	0.000	1	108.2910	0.000	1	106.8580	4.107	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	S-4:S-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2C)(CHSS)(H)2	H(CCSS)	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2C)(CHSS)(H)2	H(CCSS)	106.2810	0.000	1	106.2810	0.000	1	106.9625	0.929	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:1:1:	4:	S-4:S-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2H)(CHSS)(H)2	H(CCSS)	C(SC[6a]OO)2(CC[6]HH)(H)	C(C[6]C[6]2H)(CHSS)(H)2	H(CCSS)	107.6440	0.000	1	107.6440	0.000	1	106.9625	0.929	2	107.5587	2.605	2649	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NC)(H)	H(CC3)	107.6660	0.000	1	107.6660	0.000	1	107.8198	0.358	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NC)(H)	H(CC3)	108.4350	0.601	2	108.4350	0.361	2	107.8198	0.358	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NC)(H)	H(CC3)	107.6085	0.667	11	107.6085	0.445	11	107.8198	0.358	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NS)(H)	H(CC3)	107.9987	0.037	3	107.9987	0.001	3	107.8198	0.358	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)2(NC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)2(NC)(H)	H(CC3)	108.2390	0.000	1	108.2390	0.000	1	107.8198	0.358	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CC[6a]2O)(CCCH)(NC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CC[6a]2O)(CCCH)(NC)(H)	H(CC3)	108.1110	0.000	1	108.1110	0.000	1	107.8198	0.358	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	106.9330	0.000	2	106.9330	0.000	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	106.5330	0.000	2	106.5330	0.000	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	106.2320	0.000	2	106.2320	0.000	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	107.4350	0.000	1	107.4350	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	107.9210	0.000	1	107.9210	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	105.7650	0.000	2	105.7650	0.000	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)2(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCCH)(CCHO)2(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	105.3590	0.000	1	105.3590	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCH)(CCHO)2(H)	C(CC[3]HH)(CCCH)(OC)(H)	H(CC3)	C(CCCH)(CCHO)2(H)	C(CC[3]HH)(CCCH)(OC)(H)	H(CC3)	106.4630	0.000	1	106.4630	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	107.5810	0.000	1	107.5810	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	H(CC3)	108.0670	1.650	3	108.0670	2.724	3	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	107.2698	1.217	8	107.2698	1.481	8	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	106.9170	0.599	11	106.9170	0.359	11	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	H(CC3)	107.8050	0.000	1	107.8050	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	108.8190	0.000	1	108.8190	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OC)(H)	H(CC3)	107.3310	0.180	2	107.3310	0.032	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	107.2280	0.000	1	107.2280	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	H(CC3)	106.3026	1.040	10	106.3026	1.081	10	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	107.2459	1.207	9	107.2459	1.458	9	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CC[5]HO)(CCCH)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CC[5]HO)(CCCH)(OC)(H)	H(CC3)	107.2035	0.300	4	107.2035	0.090	4	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HO)(CCCH)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HO)(CCCH)(OH)(H)	H(CC3)	108.1160	0.000	1	108.1160	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	H(CC3)	108.2610	0.000	1	108.2610	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	H(CC3)	107.3150	0.000	1	107.3150	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	106.2720	0.000	1	106.2720	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OH)(H)	H(CC3)	108.4620	0.000	1	108.4620	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	107.2130	0.000	1	107.2130	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	106.7070	0.113	2	106.7070	0.013	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CB[5]CH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CB[5]CH)(CCCH)(OH)(H)	H(CC3)	108.1360	0.000	1	108.1360	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CBrCC)(CCCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CBrCC)(CCCH)(OC)(H)	H(CC3)	107.4690	0.000	1	107.4690	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CC3)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CC3)(OC)(H)	H(CC3)	107.9300	0.000	1	107.9300	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCCN)(OSi)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCCN)(OSi)(H)	H(CC3)	107.4780	0.000	1	107.4780	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	108.3850	0.000	1	108.3850	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	108.0920	0.000	1	108.0920	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OC)(H)	H(CC3)	107.4070	0.000	1	107.4070	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OH)(H)	H(CC3)	108.4390	0.000	1	108.4390	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	108.1360	0.000	1	108.1360	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)(CHHS)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)(CHHS)(OH)(H)	H(CC3)	108.0480	0.085	2	108.0480	0.007	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)2(OC)(H)	H(CC3)	108.0953	1.560	11	108.0953	2.432	11	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	H(CC3)	107.4768	0.659	9	107.4768	0.434	9	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CC[3]HH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CC[3]HH)(CCCH)(OH)(H)	H(CC3)	107.0920	0.000	1	107.0920	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OC)(H)	H(CC3)	107.8420	0.083	2	107.8420	0.007	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OH)(H)	H(CC3)	107.3650	0.000	1	107.3650	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CC[6]CH)(CCCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CC[6]CH)(CCCH)(OC)(H)	H(CC3)	109.1400	0.000	1	109.1400	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CC[6a]2H)(CCCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CC[6a]2H)(CCCH)(OC)(H)	H(CC3)	104.3210	0.000	1	104.3210	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CC[6a]CH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CC[6a]CH)(CCCH)(OH)(H)	H(CC3)	108.0530	0.000	1	108.0530	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CN[5]CH)(CCCH)(OC)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CN[5]CH)(CCCH)(OC)(H)	H(CC3)	107.1420	0.382	2	107.1420	0.146	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CN[6a]HS)(CCCH)(OSi)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CN[6a]HS)(CCCH)(OSi)(H)	H(CC3)	106.8030	0.000	1	106.8030	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	106.3340	0.000	1	106.3340	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CHHN)(OC)(H)	H(CC3)	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CHHN)(OC)(H)	H(CC3)	107.2982	0.593	4	107.2982	0.352	4	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	107.4310	0.000	1	107.4310	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(OSi)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(OSi)(H)	H(CC3)	107.4860	1.184	2	107.4860	1.401	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	106.4200	0.000	1	106.4200	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.9340	0.000	1	107.9340	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	107.4718	0.366	5	107.4718	0.134	5	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	107.1080	0.000	2	107.1080	0.000	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)(CHHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	H(CC3)	C(CCHO)(CHHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	H(CC3)	107.7010	0.000	1	107.7010	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CC3)(OH)(H)	H(CC3)	107.6675	0.029	2	107.6675	0.001	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	107.0277	0.385	4	107.0277	0.148	4	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.1417	1.059	7	107.1417	1.122	7	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	H(CC3)	107.0120	1.187	13	107.0120	1.409	13	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	H(CC3)	105.7760	1.008	3	105.7760	1.016	3	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	105.4840	0.000	1	105.4840	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	107.3430	0.313	2	107.3430	0.098	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)(CHHS)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)(CHHS)(OH)(H)	H(CC3)	107.4890	0.120	3	107.4890	0.014	3	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	H(CC3)	107.3205	0.947	26	107.3205	0.896	26	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	107.3433	0.654	50	107.3433	0.428	50	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CCCH)2(OSi)(H)	H(CC3)	105.5977	1.489	3	105.5977	2.216	3	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CC[5]CC)(CCCH)(OC)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CC[5]CC)(CCCH)(OC)(H)	H(CC3)	107.2370	0.208	4	107.2370	0.043	4	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CC[5]HH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CC[5]HH)(CCCH)(OH)(H)	H(CC3)	107.3850	0.000	1	107.3850	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CC[6]CC)(CCCH)(OC)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CC[6]CC)(CCCH)(OC)(H)	H(CC3)	107.3630	0.020	2	107.3630	0.000	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC3)	107.1840	0.000	1	107.1840	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	H(CC3)	C(CCHO)2(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	H(CC3)	105.9940	0.000	1	105.9940	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OC)(H)	H(CC3)	106.0480	0.000	1	106.0480	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.6780	0.000	1	107.6780	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	H(CC3)	106.8755	1.155	2	106.8755	1.333	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CC[3]HH)(CCCH)(OC)(H)	H(CC3)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CC[3]HH)(CCCH)(OC)(H)	H(CC3)	106.5050	0.000	1	106.5050	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	H(CC3)	106.8090	0.262	2	106.8090	0.068	2	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(CC[5,5]HH)(CCCH)(OC)(H)	H(CC3)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(CC[5,5]HH)(CCCH)(OC)(H)	H(CC3)	107.4710	0.000	1	107.4710	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	106.9820	0.000	1	106.9820	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	106.7570	0.000	1	106.7570	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	105.3000	0.000	1	105.3000	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	H(CC3)	105.4640	0.000	1	105.4640	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	H(CC3)	104.0540	0.000	1	104.0540	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	H(CC3)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	H(CC3)	105.4860	0.000	1	105.4860	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CCCH)(CCHH)(OH)(H)	H(CC3)	107.9540	0.000	1	107.9540	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	H(CC3)	107.7600	0.000	1	107.7600	0.000	1	107.1928	0.957	269	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCCH)(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CCCH)(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	H(CC3)	106.3690	0.000	1	106.3690	0.000	1	107.2963	0.518	7	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCCH)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	H(CC3)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	H(CC3)	106.4740	0.000	1	106.4740	0.000	1	107.2963	0.518	7	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(CC3)	106.8830	0.000	1	106.8830	0.000	1	107.2963	0.518	7	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CH3)2(H)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CH3)2(H)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	H(CC3)	108.0070	0.000	1	108.0070	0.000	1	107.2963	0.518	7	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)(OH)(H)	H(CC3)	107.8050	0.000	1	107.8050	0.000	1	107.2963	0.518	7	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2O)(CCCH)(OH)(H)	H(CC3)	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2O)(CCCH)(OH)(H)	H(CC3)	108.0780	0.000	1	108.0780	0.000	1	107.2963	0.518	7	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	H(CC3)	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	H(CC3)	107.4580	0.000	1	107.4580	0.000	1	107.2963	0.518	7	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[3x6]-4:C-4:N-2:H-1:	C-4:	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	H(CC3)	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	H(CC3)	101.6480	0.000	1	101.6480	0.000	1	101.6480	0.000	1	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[4,5]-4:C-4:O-2:H-1:	C-4:	C(CC[4,5]HO)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	H(CC3)	C(CC[4,5]HO)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	H(CC3)	107.7570	0.000	1	107.7570	0.000	1	107.7570	0.000	1	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[4,6]-4:C-4:O-2:H-1:	C-4:	C(CC[4,6]HO)(CH3)2(H)	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	H(CC3)	C(CC[4,6]HO)(CH3)2(H)	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	H(CC3)	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCCH)(CH3)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	H(CC3)	C(CC[5]HO)(CCCH)(CH3)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	H(CC3)	107.0940	0.000	1	107.0940	0.000	1	107.7998	0.789	13	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[5]HO)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(CC3)	107.6577	0.494	4	107.6577	0.245	4	107.7998	0.789	13	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(CC3)	109.4240	0.000	1	109.4240	0.000	1	107.7998	0.789	13	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	H(CC3)	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	H(CC3)	108.1875	0.413	4	108.1875	0.170	4	107.7998	0.789	13	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(CC3)	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	H(CC3)	108.4310	0.000	1	108.4310	0.000	1	107.7998	0.789	13	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	H(CC3)	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	H(CC3)	107.1670	0.000	1	107.1670	0.000	1	107.7998	0.789	13	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(CHHO)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[5]HO)(CHHO)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	H(CC3)	105.9000	0.000	1	105.9000	0.000	1	107.7998	0.789	13	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHH)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	H(CC3)	C(CC[6]HO)(CCHH)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	H(CC3)	106.7430	0.000	1	106.7430	0.000	1	107.6925	0.740	12	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CCHO)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	C(CC[6]HO)(CCHO)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	H(CC3)	106.6620	0.000	1	106.6620	0.000	1	107.6925	0.740	12	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(CC3)	C(CC[6]HO)(CH3)2(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	H(CC3)	107.5620	0.000	1	107.5620	0.000	1	107.6925	0.740	12	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	H(CC3)	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	H(CC3)	107.2170	0.813	2	107.2170	0.661	2	107.6925	0.740	12	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	H(CC3)	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	H(CC3)	107.5060	0.605	2	107.5060	0.366	2	107.6925	0.740	12	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	H(CC3)	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	H(CC3)	108.1145	0.533	4	108.1145	0.284	4	107.6925	0.740	12	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(CC[6]HO)(CHHO)(CH3)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	H(CC3)	C(CC[6]HO)(CHHO)(CH3)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	H(CC3)	109.4390	0.000	1	109.4390	0.000	1	107.6925	0.740	12	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C-4:C-4:C-4:H-1:	P-4:C-4:O-2:H-1:	C-4:	C(CHOP)(CH3)2(H)	C(PC[6a]OO)(CCCH)(OH)(H)	H(CC3)	C(CHOP)(CH3)2(H)	C(PC[6a]OO)(CCCH)(OH)(H)	H(CC3)	107.6220	0.000	1	107.6220	0.000	1	107.6220	0.000	1	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	H(CC[3]CC)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	H(CC[3]CC)	107.4610	0.000	1	107.4610	0.000	1	108.3995	1.762	2	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CHHO)(OC)(H)	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CHHO)(OC)(H)	H(CC[3]CC)	109.3380	0.000	1	109.3380	0.000	1	108.3995	1.762	2	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	H(CC[3]CC)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	H(CC[3]CC)	108.7460	0.000	1	108.7460	0.000	1	108.7720	0.186	4	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	H(CC[3]CC)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	H(CC[3]CC)	108.7807	0.527	3	108.7807	0.278	3	108.7720	0.186	4	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[3x6]-4:C-4:N-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C(CC[3x6]HN)(CHHO)(OH)(H)	H(CC[3x6]CN)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C(CC[3x6]HN)(CHHO)(OH)(H)	H(CC[3x6]CN)	105.5340	0.000	1	105.5340	0.000	1	105.5340	0.000	1	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OC)(H)	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OC)(H)	H(CC[5,6]CC)	110.3200	5.291	2	110.3200	27.990	2	107.6801	5.381	10	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OH)(H)	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OH)(H)	H(CC[5,6]CC)	107.0201	0.656	8	107.0201	0.430	8	107.6801	5.381	10	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CC[5]CH)(OC)(H)	H(CC[5]CC)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CC[5]CH)(OC)(H)	H(CC[5]CC)	104.7130	0.000	1	104.7130	0.000	1	106.4371	1.021	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHH)(OH)(H)	H(CC[5]CC)	106.5053	1.128	4	106.5053	1.272	4	106.4371	1.021	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHO)(OH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHO)(OH)(H)	H(CC[5]CC)	107.5520	0.000	1	107.5520	0.000	1	106.4371	1.021	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	H(CC[5]CC)	105.9306	0.300	9	105.9306	0.090	9	106.4371	1.021	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OC)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OC)(H)	H(CC[5]CC)	107.9830	0.000	1	107.9830	0.000	1	106.4371	1.021	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OH)(H)	H(CC[5]CC)	107.1120	0.058	2	107.1120	0.003	2	106.4371	1.021	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	H(CC[5]CC)	108.4360	0.000	1	108.4360	0.000	1	106.4371	1.021	19	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	H(CC[5]CC)	107.3810	0.000	1	107.3810	0.000	1	107.3810	0.000	1	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	H(CC[5]CC)	107.4910	0.017	2	107.4910	0.000	2	107.3635	0.025	4	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	H(CC[5]CC)	107.3100	0.000	1	107.3100	0.000	1	107.3635	0.025	4	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	H(CC[5]CC)	107.1620	0.000	1	107.1620	0.000	1	107.3635	0.025	4	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OC)(H)	H(CC[6]CC)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OC)(H)	H(CC[6]CC)	106.9310	0.000	1	106.9310	0.000	1	107.9370	2.101	6	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	H(CC[6]CC)	107.1530	0.000	1	107.1530	0.000	1	107.9370	2.101	6	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC[6]CC)	108.7653	1.780	3	108.7653	3.169	3	107.9370	2.101	6	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC[6]CC)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	H(CC[6]CC)	107.2420	0.000	1	107.2420	0.000	1	107.9370	2.101	6	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	H(CC[6]CC)	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	H(CC[6]CC)	107.5040	0.000	1	107.5040	0.000	1	106.9880	0.533	2	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	H(CC[6]CC)	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	H(CC[6]CC)	106.4720	0.000	1	106.4720	0.000	1	106.9880	0.533	2	107.2602	1.187	373	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:	C(CCHH)2(CC3)(H)	C(CC[5a]HH)(CCCH)(CN)2	H(CC3)	C(CCHH)2(CC3)(H)	C(CC[5a]HH)(CCCH)(CN)2	H(CC3)	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.4297	0.117	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:2:2:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-2:O-2:	C-4:	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	H(CC3)	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	H(CC3)	107.3930	0.475	2	107.3930	0.226	2	107.3930	0.226	2	107.4297	0.117	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:B-3:H-1:	C-4:	C(CSiHH)(CBCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	H(CC3)	C(CSiHH)(CBCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	H(CC3)	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:F-1:	C-4:	C(CCCF)(CH3)2(H)	C(CCCH)(CH3)(CNO)(F)	H(CC3)	C(CCCF)(CH3)2(H)	C(CCCH)(CH3)(CNO)(F)	H(CC3)	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(CH3)(CCN)(H)	H(CC3)	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(CH3)(CCN)(H)	H(CC3)	107.8630	0.000	1	107.8630	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(CCC)(H)	H(CC3)	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(CCC)(H)	H(CC3)	106.6005	0.747	2	106.6005	0.559	2	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CCH)(H)	H(CC3)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CCH)(H)	H(CC3)	106.6820	0.000	1	106.6820	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(CCC)(H)	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(CCC)(H)	H(CC3)	105.7815	0.005	2	105.7815	0.000	2	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(CCH)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(CCH)(H)	H(CC3)	106.6030	0.000	1	106.6030	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	H(CC3)	107.9120	0.000	1	107.9120	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCH)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCH)(H)	H(CC3)	107.5682	0.264	6	107.5682	0.070	6	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCO)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCO)(H)	H(CC3)	107.8630	0.000	1	107.8630	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(COO)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(COO)(H)	H(CC3)	108.4465	0.193	2	108.4465	0.037	2	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHN)(CCC)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHN)(CCC)(H)	H(CC3)	104.1710	0.000	1	104.1710	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCC)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCC)(H)	H(CC3)	107.7810	0.000	1	107.7810	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCS)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCS)(H)	H(CC3)	108.4190	0.000	1	108.4190	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(CCH)(H)	H(CC3)	107.7573	0.712	23	107.7573	0.507	23	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(COO)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(COO)(H)	H(CC3)	108.7650	0.000	1	108.7650	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)2(CHN)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)2(CHN)(H)	H(CC3)	104.9030	0.000	1	104.9030	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[5,6]HH)(CCCH)(CCO)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[5,6]HH)(CCCH)(CCO)(H)	H(CC3)	108.1640	0.000	1	108.1640	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[5]CH)(CCCH)(CCC)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[5]CH)(CCCH)(CCC)(H)	H(CC3)	107.0000	0.000	1	107.0000	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	H(CC3)	104.3680	0.000	1	104.3680	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(CH3)(CCO)(H)	H(CC3)	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(CH3)(CCO)(H)	H(CC3)	107.6280	0.000	1	107.6280	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHO)(CCC)(H)	H(CC3)	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHO)(CCC)(H)	H(CC3)	105.6580	0.000	1	105.6580	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	H(CC3)	107.2370	0.000	1	107.2370	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CH3)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CH3)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	H(CC3)	108.0100	0.000	1	108.0100	0.000	1	107.3944	1.154	52	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CCHH)(NCH)(H)	H(CC3)	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CCHH)(NCH)(H)	H(CC3)	106.8340	0.000	1	106.8340	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NCH)(H)	H(CC3)	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NCH)(H)	H(CC3)	108.1930	0.000	1	108.1930	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(NHS)(H)	H(CC3)	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(NHS)(H)	H(CC3)	107.9450	0.000	1	107.9450	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCH)(H)	H(CC3)	106.7100	0.376	2	106.7100	0.142	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CHHN)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CHHN)(NCH)(H)	H(CC3)	108.1600	0.252	2	108.1600	0.063	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	H(CC3)	107.0610	0.000	1	107.0610	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCO)(H)	H(CC3)	105.7690	0.000	1	105.7690	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CSeHH)(CCCH)(NHS)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CSeHH)(CCCH)(NHS)(H)	H(CC3)	107.2845	0.667	2	107.2845	0.445	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)2(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)2(NCH)(H)	H(CC3)	107.7981	0.449	14	107.7981	0.202	14	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(CHHN)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	H(CC3)	C(CCHH)(CCHN)(CHHN)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	H(CC3)	107.7510	0.000	1	107.7510	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CBrHH)(CCCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CBrHH)(CCCH)(NCH)(H)	H(CC3)	107.9580	0.000	1	107.9580	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CC3)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CC3)(NCH)(H)	H(CC3)	107.3985	0.398	2	107.3985	0.158	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCCO)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCCO)(NHS)(H)	H(CC3)	106.0685	1.141	2	106.0685	1.301	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCH)(H)	H(CC3)	109.3411	5.038	19	109.3411	25.382	19	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCO)(H)	H(CC3)	107.1555	0.282	2	107.1555	0.080	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHN)(NFeC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHN)(NFeC)(H)	H(CC3)	108.6720	0.550	2	108.6720	0.303	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NCH)(H)	H(CC3)	107.7027	0.580	3	107.7027	0.336	3	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NCH)(H)	H(CC3)	107.8600	0.727	2	107.8600	0.528	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NHS)(H)	H(CC3)	107.0965	0.348	4	107.0965	0.121	4	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(H)	H(CC3)	107.1043	0.375	3	107.1043	0.141	3	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCC)(H)	H(CC3)	108.7475	0.247	2	108.7475	0.061	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCH)(H)	H(CC3)	107.3517	1.002	8	107.3517	1.004	8	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCS)(H)	H(CC3)	107.7057	1.276	3	107.7057	1.628	3	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NHS)(H)	H(CC3)	107.8540	0.320	2	107.8540	0.102	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCH)(H)	H(CC3)	107.6379	1.009	10	107.6379	1.017	10	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCO)(H)	H(CC3)	108.3210	0.000	1	108.3210	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NFeC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NFeC)(H)	H(CC3)	108.5015	0.398	2	108.5015	0.158	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHH)(H)	H(CC3)	107.1650	0.000	1	107.1650	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHS)(H)	H(CC3)	108.2030	0.000	1	108.2030	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NNiC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NNiC)(H)	H(CC3)	107.2743	0.068	3	107.2743	0.005	3	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NPdC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NPdC)(H)	H(CC3)	109.1000	0.933	4	109.1000	0.870	4	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHP)(NFeC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHP)(NFeC)(H)	H(CC3)	108.8485	0.252	2	108.8485	0.064	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)2(NCC)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCC)(H)	H(CC3)	107.2195	1.071	2	107.2195	1.148	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)2(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCH)(H)	H(CC3)	108.1148	0.742	20	108.1148	0.551	20	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)2(NCO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCO)(H)	H(CC3)	107.5920	0.000	1	107.5920	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)2(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)2(NHS)(H)	H(CC3)	107.8870	0.000	1	107.8870	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)2(NOO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)2(NOO)(H)	H(CC3)	106.2100	0.000	1	106.2100	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CC[5]HH)(CCCH)(NTiS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CC[5]HH)(CCCH)(NTiS)(H)	H(CC3)	107.6210	0.000	1	107.6210	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	H(CC3)	107.0300	0.000	1	107.0300	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	H(CC3)	106.2420	0.000	1	106.2420	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	H(CC3)	107.0400	0.247	2	107.0400	0.061	2	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	H(CC3)	107.4690	0.000	1	107.4690	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CClHH)(CCCH)(NCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CClHH)(CCCH)(NCH)(H)	H(CC3)	108.3150	0.000	1	108.3150	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NHS)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NHS)(H)	H(CC3)	103.8810	0.000	1	103.8810	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	H(CC3)	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	H(CC3)	107.0085	0.833	4	107.0085	0.694	4	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NHS)(H)	H(CC3)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NHS)(H)	H(CC3)	107.2220	0.000	1	107.2220	0.000	1	107.8743	4.287	143	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:O-3:H-1:	C-4:	C(CCHO)(CH3)2(H)	C(CCCH)2(OZn2)(H)	H(CC3)	C(CCHO)(CH3)2(H)	C(CCCH)2(OZn2)(H)	H(CC3)	107.5810	0.506	6	107.5810	0.256	6	107.5810	0.256	6	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:S-3:H-1:	C-4:	C(CCHS)(CH3)2(H)	C(CN[5]HH)(CCCH)(SRhC)(H)	H(CC3)	C(CCHS)(CH3)2(H)	C(CN[5]HH)(CCCH)(SRhC)(H)	H(CC3)	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCHH)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCHH)(COO)(H)	H(CC3)	107.0105	0.315	2	107.0105	0.099	2	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(CNO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(CNO)(H)	H(CC3)	107.4422	0.519	5	107.4422	0.270	5	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(COO)(H)	H(CC3)	107.4225	0.374	29	107.4225	0.140	29	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(NH3)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(NH3)(COO)(H)	H(CC3)	107.0320	0.243	2	107.0320	0.059	2	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(CNO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(CNO)(H)	H(CC3)	106.8760	0.000	1	106.8760	0.000	1	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(COO)(H)	H(CC3)	107.1820	0.238	5	107.1820	0.056	5	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(CNO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(CNO)(H)	H(CC3)	107.3987	0.477	6	107.3987	0.228	6	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(COO)(H)	H(CC3)	107.0687	0.741	29	107.0687	0.548	29	107.2496	0.312	79	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:P-4:N-3:H-1:	C-4:	C(CHNP)(CH3)2(H)	C(CCCH)(PO3)(NCH)(H)	H(CC3)	C(CHNP)(CH3)2(H)	C(CCCH)(PO3)(NCH)(H)	H(CC3)	99.5919	0.000	1	99.5919	0.000	1	99.5919	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C-4:	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	H(CC3)	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	H(CC3)	107.8600	0.000	1	107.8600	0.000	1	107.8600	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:	C(CC[3]HN)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	H(CC3)	C(CC[3]HN)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	H(CC3)	106.3140	0.000	1	106.3140	0.000	1	106.3140	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:N-3:H-1:	C-4:	C(CC[4]HN)(CH3)2(H)	C(C[4]C[4]2H)(CCCH)(NCH)(H)	H(CC3)	C(CC[4]HN)(CH3)2(H)	C(C[4]C[4]2H)(CCCH)(NCH)(H)	H(CC3)	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	H(CC3)	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	H(CC3)	107.1020	0.000	1	107.1020	0.000	1	106.8405	0.137	2	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(CC3)	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	H(CC3)	106.5790	0.000	1	106.5790	0.000	1	106.8405	0.137	2	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:	C(CC[5]HN)(CCHH)(CF3)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	H(CC3)	C(CC[5]HN)(CCHH)(CF3)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	H(CC3)	110.6390	0.000	1	110.6390	0.000	1	110.6390	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:	C(CC[6]CH)(CCHH)2(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	H(CC3)	C(CC[6]CH)(CCHH)2(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	H(CC3)	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(NC[5]HH)(CCCH)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(NC[5]HH)(CCCH)(COO)(H)	H(CC3)	107.1340	0.000	1	107.1340	0.000	1	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(NCoHH)(CCCH)(COO)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(NCoHH)(CCCH)(COO)(H)	H(CC3)	105.3370	4.300	3	105.3370	18.488	3	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NCoHH)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NCoHH)(CCCH)(COO)(H)	H(CC3)	109.2900	0.000	1	109.2900	0.000	1	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NCuHH)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NCuHH)(CCCH)(COO)(H)	H(CC3)	107.0350	0.000	1	107.0350	0.000	1	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NFeHH)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NFeHH)(CCCH)(COO)(H)	H(CC3)	107.1218	0.380	6	107.1218	0.144	6	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NNiCH)(CCCH)(CNO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NNiCH)(CCCH)(CNO)(H)	H(CC3)	106.6640	0.092	2	106.6640	0.008	2	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(CNO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(CNO)(H)	H(CC3)	107.3528	0.182	4	107.3528	0.033	4	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(COO)(H)	H(CC3)	107.2340	0.000	1	107.2340	0.000	1	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NReHH)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NReHH)(CCCH)(COO)(H)	H(CC3)	107.5160	0.000	1	107.5160	0.000	1	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NRuHH)(CCCH)(COO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NRuHH)(CCCH)(COO)(H)	H(CC3)	104.6245	1.753	2	104.6245	3.073	2	106.7700	3.128	22	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	P-4:C-4:C-3:H-1:	C-4:	C(CPtCH)(CCHH)(CCHP)(H)	C(PC[6a]3)(CCCH)(COO)(H)	H(CC3)	C(CPtCH)(CCHH)(CCHP)(H)	C(PC[6a]3)(CCCH)(COO)(H)	H(CC3)	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	S-4:C-4:C-3:H-1:	C-4:	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	H(CC3)	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	H(CC3)	106.8843	0.288	3	106.8843	0.083	3	106.8843	0.083	3	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	Si-4:C-4:C-3:H-1:	C-4:	C(CSiCH)(CCHH)2(H)	C(SiC[6a]CC)(CCCH)(CCH)(H)	H(CC3)	C(CSiCH)(CCHH)2(H)	C(SiC[6a]CC)(CCCH)(CCH)(H)	H(CC3)	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(COO)(H)	H(CCCN)	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(COO)(H)	H(CCCN)	107.1125	0.158	2	107.1125	0.025	2	107.1125	0.025	2	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHH)(CCHN)(NCCH)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	H(CCCN)	C(CCHH)(CCHN)(NCCH)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	H(CCCN)	106.1470	0.000	1	106.1470	0.000	1	106.1470	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:S-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(CC3)(NHS)(H)	H(CCCS)	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(CC3)(NHS)(H)	H(CCCS)	108.1940	0.000	1	108.1940	0.000	1	108.1940	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[5,6]CH)(CCHH)(CCC)(H)	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[5,6]CH)(CCHH)(CCC)(H)	H(CC[5,6]CC)	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)(CCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)(CCH)(H)	H(CC[5]CC)	107.1140	0.318	2	107.1140	0.101	2	107.1140	0.101	2	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CCO)(H)	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CCO)(H)	H(CC[5]CC)	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CH3)(COO)(H)	H(CC[6]CC)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CH3)(COO)(H)	H(CC[6]CC)	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.5052	2.714	327	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-2:	C-4:	C(CCCN)(CH3)2(H)	C(CC[6a]HH)(CCCH)(COO)(NPd)	H(CC3)	C(CCCN)(CH3)2(H)	C(CC[6a]HH)(CCCH)(COO)(NPd)	H(CC3)	106.5390	0.000	1	106.5390	0.000	1	106.5390	0.000	1	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(COO)(OH)	H(CC3)	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(COO)(OH)	H(CC3)	106.6530	1.318	2	106.6530	1.737	2	106.7360	1.537	6	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(COO)(OH)	H(CC3)	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(COO)(OH)	H(CC3)	107.1890	0.000	1	107.1890	0.000	1	106.7360	1.537	6	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)(COO)(OH)	H(CC3)	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)(COO)(OH)	H(CC3)	104.8050	0.000	1	104.8050	0.000	1	106.7360	1.537	6	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CCCO)(CH3)2(H)	C(CC[5]HH)(CCCH)(COO)(OH)	H(CC3)	C(CCCO)(CH3)2(H)	C(CC[5]HH)(CCCH)(COO)(OH)	H(CC3)	108.1270	0.000	1	108.1270	0.000	1	106.7360	1.537	6	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:	C(CC[5]HH)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CCH)(OH)	H(CC3)	C(CC[5]HH)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CCH)(OH)	H(CC3)	106.9890	0.000	1	106.9890	0.000	1	106.7360	1.537	6	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(CN)	H(CC3)	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(CN)	H(CC3)	107.3510	0.000	1	107.3510	0.000	1	107.0660	0.162	2	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:C-2:	C-4:	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCH)(CCHH)(NCH)(CC)	H(CC3)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCH)(CCHH)(NCH)(CC)	H(CC3)	106.7810	0.000	1	106.7810	0.000	1	107.0660	0.162	2	106.7874	1.010	9	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(COO)(NOO)	H(CC3)	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(COO)(NOO)	H(CC3)	107.0490	0.000	1	107.0490	0.000	1	106.3702	7.904	13	106.3975	6.789	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)2(H)	C(CCCH)(CCHH)(CNO)(NCH)	H(CC3)	C(CCCN)(CH3)2(H)	C(CCCH)(CCHH)(CNO)(NCH)	H(CC3)	97.0528	0.000	1	97.0528	0.000	1	106.3702	7.904	13	106.3975	6.789	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NCH)	H(CC3)	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NCH)	H(CC3)	107.1423	0.302	9	107.1423	0.091	9	106.3702	7.904	13	106.3975	6.789	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NHH)	H(CC3)	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NHH)	H(CC3)	107.0520	0.000	1	107.0520	0.000	1	106.3702	7.904	13	106.3975	6.789	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(COO)(NCH)	H(CC3)	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(COO)(NCH)	H(CC3)	107.3780	0.000	1	107.3780	0.000	1	106.3702	7.904	13	106.3975	6.789	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:3:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:S-3:S-3:	C-4:	C(CCSS)(CH3)2(H)	C(CCCH)2(SRh2)2	H(CC3)	C(CCSS)(CH3)2(H)	C(CCCH)2(SRh2)2	H(CC3)	106.5745	0.359	2	106.5745	0.129	2	106.5745	0.129	2	106.3975	6.789	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:F-1:	C-4:	C(CCCF)(CCHH)2(H)	C(CCCH)(CH3)2(F)	H(CC3)	C(CCCF)(CCHH)2(H)	C(CCCH)(CH3)2(F)	H(CC3)	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCHH)(CC3)(H)	H(CC3)	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCHH)(CC3)(H)	H(CC3)	105.7775	0.078	2	105.7775	0.006	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	106.7340	0.264	4	106.7340	0.070	4	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(CHHO)(H)	H(CC3)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(CHHO)(H)	H(CC3)	107.6388	0.183	4	107.6388	0.034	4	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)2(CH3)(H)	H(CC3)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)2(CH3)(H)	H(CC3)	107.7300	1.117	2	107.7300	1.248	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.1299	1.679	19	106.1299	2.818	19	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHH)2(H)	C(CCCH)(CHHO)(CH3)(H)	H(CC3)	C(CCCH)(CCHH)2(H)	C(CCCH)(CHHO)(CH3)(H)	H(CC3)	106.9270	0.000	1	106.9270	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	H(CC3)	105.9525	0.245	4	105.9525	0.060	4	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.4010	0.000	1	107.4010	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CCHO)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CCHO)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	105.9615	0.739	2	105.9615	0.546	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	H(CC3)	107.8432	1.577	19	107.8432	2.486	19	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(H)	H(CC3)	108.0620	0.000	1	108.0620	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)2(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)2(H)	H(CC3)	107.9235	0.384	2	107.9235	0.147	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)(CHHS)2(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)(CHHS)2(H)	H(CC3)	107.3033	0.690	3	107.3033	0.476	3	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)2(CCHH)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)2(CCHH)(H)	H(CC3)	107.0520	0.000	1	107.0520	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CCCH)2(CH3)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CCCH)2(CH3)(H)	H(CC3)	107.5207	0.787	3	107.5207	0.619	3	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	H(CC3)	107.5040	0.000	1	107.5040	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	H(CC3)	107.8200	0.000	1	107.8200	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	107.3140	0.000	1	107.3140	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	H(CC3)	106.7780	0.000	1	106.7780	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)2(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CC3)	C(CCCH)(CH3)2(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	H(CC3)	107.7470	0.959	2	107.7470	0.919	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)2(H)	H(CC3)	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)2(H)	H(CC3)	107.7840	0.000	1	107.7840	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHS)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)(CHHS)2(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.5637	1.464	3	106.5637	2.143	3	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(CCHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)2(CCHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.6330	0.000	1	107.6330	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	H(CC3)	C(CCCH)2(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	H(CC3)	105.8465	0.064	2	105.8465	0.004	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)2(CH3)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CCCH)2(CH3)(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.2537	0.803	3	106.2537	0.645	3	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.3790	0.000	1	106.3790	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.4990	0.000	1	106.4990	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CC3)	105.9219	1.648	8	105.9219	2.717	8	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	106.7460	0.000	1	106.7460	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.1030	0.000	1	107.1030	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	H(CC3)	107.4890	0.000	1	107.4890	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	107.2950	0.000	1	107.2950	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	H(CC3)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	H(CC3)	107.0300	0.000	1	107.0300	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	107.3580	0.000	1	107.3580	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CH3)2(H)	H(CC3)	106.6515	0.684	2	106.6515	0.468	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	H(CC3)	106.2320	0.000	1	106.2320	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CClHH)2(CCCH)(H)	C(CClHH)2(CCCH)(H)	H(CC3)	C(CClHH)2(CCCH)(H)	C(CClHH)2(CCCH)(H)	H(CC3)	107.2170	0.000	1	107.2170	0.000	1	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CMoCC)(CMoCH)(CCCH)(H)	C(CMoCC)(CMoCH)(CCCH)(H)	H(CC3)	C(CMoCC)(CMoCH)(CCCH)(H)	C(CMoCC)(CMoCH)(CCCH)(H)	H(CC3)	106.1900	0.158	2	106.1900	0.025	2	106.8714	1.806	106	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-1:	C-4:	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(O)	H(CC3)	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(O)	H(CC3)	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NH3)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NH3)(H)	H(CC3)	107.1620	0.151	2	107.1620	0.023	2	107.5348	1.051	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCHH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCHH)(H)	H(CC3)	109.3290	0.000	1	109.3290	0.000	1	107.5348	1.051	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NH3)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NH3)(H)	H(CC3)	106.7500	0.000	1	106.7500	0.000	1	107.5348	1.051	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NH3)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NH3)(H)	H(CC3)	107.2710	0.000	1	107.2710	0.000	1	107.5348	1.051	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(CC[6a]2N)(NRuHH)(CCCH)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(CC[6a]2N)(NRuHH)(CCCH)(H)	H(CC3)	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(SNOO)(CH3)(H)	H(CC3)	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(SNOO)(CH3)(H)	H(CC3)	107.2170	0.000	1	107.2170	0.000	1	106.6595	0.622	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:S-4:C-4:H-1:	C-4:	C(CCHS)(CH3)2(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	H(CC3)	C(CCHS)(CH3)2(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	H(CC3)	106.1020	0.000	1	106.1020	0.000	1	106.6595	0.622	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:	C(CC[3,5]CH)(CH3)2(H)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	H(CC3)	C(CC[3,5]CH)(CH3)2(H)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	H(CC3)	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	H(CC3)	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	H(CC3)	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	H(CC3)	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	H(CC3)	108.2650	0.000	1	108.2650	0.000	1	107.5776	0.205	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	H(CC3)	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	H(CC3)	107.4990	0.000	1	107.4990	0.000	1	107.5776	0.205	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	H(CC3)	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	H(CC3)	107.5635	0.054	2	107.5635	0.003	2	107.5776	0.205	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	H(CC3)	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	H(CC3)	106.9970	0.000	1	106.9970	0.000	1	107.5776	0.205	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CCHH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	H(CC3)	C(CC[6]CH)(CCHH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	H(CC3)	110.2670	0.000	1	110.2670	0.000	1	107.4940	1.668	7	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)2(H)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6]CH)(CH3)2(H)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	H(CC3)	106.8730	0.000	1	106.8730	0.000	1	107.4940	1.668	7	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	H(CC3)	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	H(CC3)	107.0636	0.501	5	107.0636	0.251	5	107.4940	1.668	7	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]HH)(CCCH)(CH3)(H)	H(CC3)	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]HH)(CCCH)(CH3)(H)	H(CC3)	107.1700	0.000	1	107.1700	0.000	1	106.7220	0.401	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NLi2C)(CCCH)(CHHN)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NLi2C)(CCCH)(CHHN)(H)	H(CC3)	106.2740	0.000	1	106.2740	0.000	1	106.7220	0.401	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.3895	0.069	2	107.3895	0.005	2	107.6348	0.492	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	108.8050	0.000	1	108.8050	0.000	1	107.6348	0.492	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.9470	0.000	1	106.9470	0.000	1	107.6348	0.492	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CN[6]HH)(CCCH)(NH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CN[6]HH)(CCCH)(NH3)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.6430	0.000	1	107.6430	0.000	1	107.6348	0.492	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)2(NH3)(H)	H(CCCN)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)2(NH3)(H)	H(CCCN)	108.2990	1.566	2	108.2990	2.451	2	107.6555	1.370	4	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:N-4:H-1:	C-4:	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	H(CCCN)	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	H(CCCN)	107.0120	0.037	2	107.0120	0.001	2	107.6555	1.370	4	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:S-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CCCH)(SNOO)(CH3)(H)	C(CCHH)(CCHS)(CH3)(H)	H(CCCS)	C(CCCH)(SNOO)(CH3)(H)	C(CCHH)(CCHS)(CH3)(H)	H(CCCS)	106.6740	0.000	1	106.6740	0.000	1	105.8780	1.267	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:S-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(CCHS)(CH3)2(H)	H(CCCS)	105.0820	0.000	1	105.0820	0.000	1	105.8780	1.267	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[3,5]CH)(CH3)2(H)	H(CC[3,5]CC)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[3,5]CH)(CH3)2(H)	H(CC[3,5]CC)	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CC[3]CH)(CH3)2(H)	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CC[3]CH)(CH3)2(H)	H(CC[3]CC)	107.7570	0.000	1	107.7570	0.000	1	107.7570	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	106.7140	0.000	1	106.7140	0.000	1	106.3522	0.281	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	105.5540	0.000	1	105.5540	0.000	1	106.3522	0.281	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	106.6535	0.385	2	106.6535	0.149	2	106.3522	0.281	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(CC[5]CH)(CH3)2(H)	H(CC[5]CC)	106.1860	0.000	1	106.1860	0.000	1	106.3522	0.281	5	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	H(CC[5]CC)	102.4240	2.271	2	102.4240	5.158	2	103.7032	6.946	6	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	H(CC[5]CC)	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	H(CC[5]CC)	102.1160	2.160	2	102.1160	4.663	2	103.7032	6.946	6	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	H(CC[5]CC)	106.5695	0.407	2	106.5695	0.165	2	103.7032	6.946	6	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C[6]-4:H-1:	C[5]-4:C-4:C[6]-4:H-1:	C-4:	C(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	C(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	H(CC[5]C[6]C)	C(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	C(C[5]C[5]2Fe)(CC[5]C[6]H)(C[6]C[6]2H)(H)	H(CC[5]C[6]C)	104.2345	0.396	4	104.2345	0.157	4	104.2345	0.157	4	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	H(CC[6]CC)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	H(CC[6]CC)	104.9160	0.000	1	104.9160	0.000	1	104.8661	5.755	7	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CH3)2(H)	H(CC[6]CC)	104.9440	2.928	5	104.9440	8.576	5	104.8661	5.755	7	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CCHH)(CH3)(H)	H(CC[6]CC)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CCHH)(CH3)(H)	H(CC[6]CC)	104.4270	0.000	1	104.4270	0.000	1	104.8661	5.755	7	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	C[6]-4:C-4:N-4:H-1:	C[6]-4:C-4:N-4:H-1:	C-4:	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	H(CC[6]CN)	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	H(CC[6]CN)	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHH)(CCHN)(CH3)(H)	H(CCCN)	107.5260	0.000	1	107.5260	0.000	1	107.4765	0.005	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NLi2C)(CCCH)(CHHN)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NLi2C)(CCCH)(CHHN)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	107.4270	0.000	1	107.4270	0.000	1	107.4765	0.005	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C-4:	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(NC[6a]PdH)(CCHN)(CH3)(H)	H(CCCN)	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(NC[6a]PdH)(CCHN)(CH3)(H)	H(CCCN)	108.1735	0.045	2	108.1735	0.002	2	108.1735	0.002	2	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(PC[6a]2Cr)(CCHP)(CH3)(H)	H(CCCP)	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(PC[6a]2Cr)(CCHP)(CH3)(H)	H(CCCP)	106.7698	1.665	8	106.7698	2.773	8	106.4613	2.638	36	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(PC[6a]2Mo)(CCHP)(CH3)(H)	H(CCCP)	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(PC[6a]2Mo)(CCHP)(CH3)(H)	H(CCCP)	106.5890	1.995	2	106.5890	3.982	2	106.4613	2.638	36	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(PC[6a]2Ni)(CCHP)(CH3)(H)	H(CCCP)	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(PC[6a]2Ni)(CCHP)(CH3)(H)	H(CCCP)	107.0105	0.156	2	107.0105	0.024	2	106.4613	2.638	36	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(CH3)(H)	H(CCCP)	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(CH3)(H)	H(CCCP)	106.9480	0.862	6	106.9480	0.743	6	106.4613	2.638	36	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(PC[6a]2Pt)(CCHP)(CH3)(H)	H(CCCP)	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(PC[6a]2Pt)(CCHP)(CH3)(H)	H(CCCP)	106.9840	1.114	2	106.9840	1.242	2	106.4613	2.638	36	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:1:	4:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(CH3)(H)	H(CCCP)	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(CH3)(H)	H(CCCP)	105.9746	1.946	16	105.9746	3.786	16	106.4613	2.638	36	106.6959	2.491	209	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-2:	C-4:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CF3)(NC)	H(CC3)	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CF3)(NC)	H(CC3)	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC3)	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	H(CC3)	105.9145	0.193	2	105.9145	0.037	2	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)2(CCHH)(OH)	H(CC3)	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)2(CCHH)(OH)	H(CC3)	106.0335	0.136	2	106.0335	0.019	2	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CH3)2(OC)	H(CC3)	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CH3)2(OC)	H(CC3)	107.6480	0.000	1	107.6480	0.000	1	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	H(CC3)	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	H(CC3)	106.9450	0.908	2	106.9450	0.824	2	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(OC)	H(CC3)	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(OC)	H(CC3)	106.6330	0.000	1	106.6330	0.000	1	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)2(H)	C(CCCH)2(CH3)(OC)	H(CC3)	C(CCCO)(CH3)2(H)	C(CCCH)2(CH3)(OC)	H(CC3)	106.8610	0.000	1	106.8610	0.000	1	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CCCO)(CH3)2(H)	C(CCCH)3(OBi)	H(CC3)	C(CCCO)(CH3)2(H)	C(CCCH)3(OBi)	H(CC3)	105.8563	1.067	9	105.8563	1.139	9	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	106.5258	0.200	4	106.5258	0.040	4	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CH3)2(OH)	H(CC3)	107.2160	0.000	1	107.2160	0.000	1	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	H(CC3)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	H(CC3)	105.2240	0.174	3	105.2240	0.030	3	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CC3)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CC3)	106.6990	0.000	1	106.6990	0.000	1	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CC3)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	H(CC3)	106.4315	0.115	2	106.4315	0.013	2	106.2134	0.713	29	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:2:	4:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-4:O-2:	C-4:	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)2(OH)	H(CC3)	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)2(OH)	H(CC3)	106.6655	0.989	2	106.6655	0.979	2	106.6655	0.979	2	106.3004	0.795	32	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CF3)(CH3)(NHS)	H(CC3)	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CF3)(CH3)(NHS)	H(CC3)	104.4845	0.203	2	104.4845	0.041	2	105.9474	1.797	5	106.6726	2.274	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(NHS)	H(CC3)	C(CCCN)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(NHS)	H(CC3)	106.8470	0.000	1	106.8470	0.000	1	105.9474	1.797	5	106.6726	2.274	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(CCCN)(CH3)2(H)	C(CClHH)(CCCH)(CH3)(NHS)	H(CC3)	C(CCCN)(CH3)2(H)	C(CClHH)(CCCH)(CH3)(NHS)	H(CC3)	106.9605	0.052	2	106.9605	0.003	2	105.9474	1.797	5	106.6726	2.274	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:3:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:N-3:	C-4:	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(CH3)(PO3)(NOO)	H(CC3)	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(CH3)(PO3)(NOO)	H(CC3)	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	106.6726	2.274	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:3:	4:	C-4:C-4:C-4:H-1:	S-4:C-4:C-4:C-3:	C-4:	C(CCCS)(CH3)2(H)	C(SC[6a]OO)(CCCH)(CH3)(COO)	H(CC3)	C(CCCS)(CH3)2(H)	C(SC[6a]OO)(CCCH)(CH3)(COO)	H(CC3)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	106.6726	2.274	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CC[5]CH)(CH3)2(NOO)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CC[5]CH)(CH3)2(NOO)	H(CC[5]CC)	106.9180	0.000	1	106.9180	0.000	1	106.9180	0.000	1	106.6726	2.274	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)2(H)	C(CCCH)2(CHHP)2	H(CC3)	C(CC3)(CH3)2(H)	C(CCCH)2(CHHP)2	H(CC3)	106.0925	0.204	2	106.0925	0.042	2	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)2(H)	C(CCCH)2(CHHS)2	H(CC3)	C(CC3)(CH3)2(H)	C(CCCH)2(CHHS)2	H(CC3)	106.0175	0.807	4	106.0175	0.652	4	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	105.8205	0.071	2	105.8205	0.005	2	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)2(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	C(CCHH)2(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	106.1720	0.344	12	106.1720	0.118	12	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)2(CC3)(H)	C(CCCH)2(CCHH)(CH3)	H(CC3)	C(CCHH)2(CC3)(H)	C(CCCH)2(CCHH)(CH3)	H(CC3)	107.1290	0.000	2	107.1290	0.000	2	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CCCH)(CH3)3	H(CC3)	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CCCH)(CH3)3	H(CC3)	104.2350	0.000	1	104.2350	0.000	1	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6]HH)(CCHH)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	C(CC[6]HH)(CCHH)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	107.2980	0.432	3	107.2980	0.187	3	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CCCH)(CH3)3	H(CC3)	105.3610	0.000	1	105.3610	0.000	1	106.2114	0.540	27	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:	C(CC[5]CC)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CH3)2	H(CC3)	C(CC[5]CC)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CH3)2	H(CC3)	106.8680	0.006	2	106.8680	0.000	2	106.8680	0.000	2	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(CH3)2(H)	C(SiCCN)(CCCH)(CH3)2	H(CC3)	C(CSiCC)(CH3)2(H)	C(SiCCN)(CCCH)(CH3)2	H(CC3)	106.9690	0.000	1	106.9690	0.000	1	106.9087	0.018	3	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	Si-4:C-4:C-4:C-4:	C-4:	C(CSiCC)(CH3)2(H)	C(SiCCO)(CCCH)(CH3)2	H(CC3)	C(CSiCC)(CH3)2(H)	C(SiCCO)(CCCH)(CH3)2	H(CC3)	106.8785	0.177	2	106.8785	0.032	2	106.9087	0.018	3	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC3)(CH3)(NC3)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CC3)(CH3)(NC3)(H)	C(CCHN)(CH3)3	H(CCCN)	103.3275	3.760	2	103.3275	14.135	2	104.8637	14.147	3	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CHHP)(CC3)(NH3)(H)	C(CCHN)(CH3)3	H(CCCN)	C(CHHP)(CC3)(NH3)(H)	C(CCHN)(CH3)3	H(CCCN)	107.9360	0.000	1	107.9360	0.000	1	104.8637	14.147	3	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:P-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(CCHP)(CH3)3	H(CCCP)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(CCHP)(CH3)3	H(CCCP)	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	102.3565	2.306	2	102.3565	5.317	2	104.0195	3.649	15	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	102.7080	0.000	1	102.7080	0.000	1	104.0195	3.649	15	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	103.2260	0.180	3	103.2260	0.032	3	104.0195	3.649	15	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	102.1535	2.051	2	102.1535	4.208	2	104.0195	3.649	15	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	103.7010	0.000	1	103.7010	0.000	1	104.0195	3.649	15	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	105.7912	1.085	5	105.7912	1.177	5	104.0195	3.649	15	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC[5]CH)(CH3)3	H(CC[5]CC)	106.2300	0.000	1	106.2300	0.000	1	104.0195	3.649	15	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(SC[6a]OO)(CC[5]CH)(CH3)2	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(SC[6a]OO)(CC[5]CH)(CH3)2	H(CC[5]CC)	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	105.5380	2.973	52	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	5:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	H(CC3)	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	H(CC3)	108.9300	0.668	4	108.9300	0.447	4	108.9300	0.447	4	108.4094	0.569	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	5:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(CHHP)(CH3)2(H)	C(PAlCrNN)(CCCH)(H)2	H(CC3)	C(CHHP)(CH3)2(H)	C(PAlCrNN)(CCCH)(H)2	H(CC3)	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	108.4094	0.569	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	5:4:1:1:	4:	C-4:C-4:C-4:H-1:	Si-5:C-4:H-1:H-1:	C-4:	C(CSiHH)(CH3)2(H)	C(SiTaO3)(CCCH)(H)2	H(CC3)	C(CSiHH)(CH3)2(H)	C(SiTaO3)(CCCH)(H)2	H(CC3)	107.7363	0.315	3	107.7363	0.100	3	107.7363	0.100	3	108.4094	0.569	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	5:4:2:1:	4:	C[3]-4:C-4:C-4:H-1:	C[3]-5:C-4:O-2:H-1:	C-4:	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	H(CC[3]CC)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	H(CC[3]CC)	104.4110	0.000	1	104.4110	0.000	1	104.4110	0.000	1	104.4110	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:4:4:1:	5:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-5:C-4:C-4:H-1:	C-4:	C(CCHN)(CH3)2(H)	C(NLi3C)(CCCH)(CHHO)(H)	H(CC3)	C(CCHN)(CH3)2(H)	C(NLi3C)(CCCH)(CHHO)(H)	H(CC3)	106.6435	0.228	2	106.6435	0.052	2	106.6435	0.052	2	106.6435	0.052	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:5:1:1:	3:4:1:1:	4:	C-4:B-5:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(BRu2CH)(H)2	C(C[6a]C[6a]2)(CBHH)(H)2	H(CBCH)	C(CC[6a]HH)(BRu2CH)(H)2	C(C[6a]C[6a]2)(CBHH)(H)2	H(CBCH)	109.3198	0.389	6	109.3198	0.151	6	109.3198	0.151	6	109.3198	0.151	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:5:1:1:	4:2:1:1:	4:	C-4:C-5:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(CH4)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	C(CHHO)(CH4)(H)2	C(CCHH)(OC)(H)2	H(CCCH)	109.1265	0.059	2	109.1265	0.003	2	109.1265	0.003	2	109.1265	0.003	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:5:1:1:	4:4:1:1:	4:	C-4:C-5:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:	C(CSiHH)(CAl4)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	C(CSiHH)(CAl4)(H)2	C(CCHH)(SiC3)(H)2	H(CCCH)	108.1925	0.026	2	108.1925	0.001	2	108.1925	0.001	2	108.1925	0.001	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:5:4:1:	4:1:1:1:	4:	N-4:C-5:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLiMgC)(CLiH3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	C(NLiMgC)(CLiH3)(CH3)(H)	C(CCHN)(H)3	H(CCCN)	106.6910	0.000	1	106.6910	0.000	1	106.6910	0.000	1	106.6910	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:6:1:1:	4:3:1:1:	4:	C-4:S-6:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(SF5)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	C(CCHH)(SF5)(H)2	C(CHHS)(COO)(H)2	H(CCHS)	108.1885	0.016	2	108.1885	0.000	2	108.1885	0.000	2	108.1885	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:6:1:1:	4:4:1:1:	4:	C-4:S-6:H-1:H-1:	C-4:S-4:F-1:F-1:	C-4:	C(CFFS)(SF5)(H)2	C(CHHS)(SO3)(F)2	H(CCHS)	C(CFFS)(SF5)(H)2	C(CHHS)(SO3)(F)2	H(CCHS)	107.2120	0.011	2	107.2120	0.000	2	107.2120	0.000	2	107.2120	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	4:6:3:1:	3:4:2:1:	4:	C-4:S-6:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(SF5)(COO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	C(CC[6a]HO)(SF5)(COO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	H(CCCS)	105.6890	0.000	1	105.6890	0.000	1	105.6890	0.000	1	105.6890	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	3:3:4:2:	4:	As[5,5]-5:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CAs[5,5]HH)(OH)	H(CAs[5,5]CH)	107.3050	0.062	2	107.3050	0.004	2	107.3050	0.004	2	106.3255	1.126	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	3:3:4:2:	4:	P[5,5]-5:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:	C(P[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	H(CP[5,5]CH)	C(P[5,5]C[5,6a]2O[5]2)(CC[6a]2O)(H)2	C(C[6a]C[6a]2)2(CP[5,5]HH)(OH)	H(CP[5,5]CH)	105.8357	0.957	4	105.8357	0.916	4	105.8357	0.916	4	106.3255	1.126	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	3:4:1:1:	4:	B[3]-5:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(B[3]B[3x3]C[3,3]Ru2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CB[3]HH)(H)2	H(CB[3]CH)	C(B[3]B[3x3]C[3,3]Ru2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CB[3]HH)(H)2	H(CB[3]CH)	109.2350	0.028	2	109.2350	0.001	2	109.2350	0.001	2	109.2350	0.001	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	3:4:4:4:	4:	Nb[6,6]-5:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(Nb[6,6]N[6,6]O[6]2C)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	H(CNb[6,6]CH)	C(Nb[6,6]N[6,6]O[6]2C)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	H(CNb[6,6]CH)	106.6523	1.150	3	106.6523	1.322	3	106.6523	1.322	3	106.6523	1.322	3	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	B-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BLaCCH)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BLaCCH)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	107.9780	0.659	2	107.9780	0.434	2	108.9088	0.879	6	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	B-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(BZrCCH)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	C(BZrCCH)(CH3)(H)2	C(CBHH)(H)3	H(CBCH)	109.3743	0.673	4	109.3743	0.453	4	108.9088	0.879	6	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CLi2CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CLi2CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7480	0.130	8	108.7480	0.017	8	108.7341	0.291	28	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CLi2PdC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CLi2PdC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.7033	0.113	6	108.7033	0.013	6	108.7341	0.291	28	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CLi2SiH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CLi2SiH)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	107.2715	0.910	2	107.2715	0.828	2	108.7341	0.291	28	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTa2CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	C(CTa2CC)(CH3)(H)2	C(CCHH)(H)3	H(CCCH)	108.9840	0.405	12	108.9840	0.164	12	108.7341	0.291	28	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	C[3,3,5]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,3,5]B[3,3,5]C[3,3,5]B[5x3]Co)(CH3)(H)2	C(CC[3,3,5]HH)(H)3	H(CC[3,3,5]CH)	C(C[3,3,5]B[3,3,5]C[3,3,5]B[5x3]Co)(CH3)(H)2	C(CC[3,3,5]HH)(H)3	H(CC[3,3,5]CH)	111.5438	3.057	8	111.5438	9.345	8	111.5438	9.345	8	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	C[3]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3,3]2HH)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	C(C[3]C[3,3]2HH)(CH3)(H)2	C(CC[3]HH)(H)3	H(CC[3]CH)	114.4860	0.064	2	114.4860	0.004	2	114.4860	0.004	2	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	C[5]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]2PdH)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	C(C[5]C[5]2PdH)(CH3)(H)2	C(CC[5]HH)(H)3	H(CC[5]CH)	108.5855	0.042	2	108.5855	0.002	2	108.5855	0.002	2	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	Ge-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(GeMo2CH)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	C(GeMo2CH)(CH3)(H)2	C(CGeHH)(H)3	H(CGeCH)	108.6465	0.190	4	108.6465	0.036	4	108.6465	0.036	4	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	Ge[3,4,4,3x5,4x6]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(CH3)(H)2	C(CGe[3,4,4,3x5,4x6]HH)(H)3	H(CGe[3,4,4,3x5,4x6]CH)	C(Ge[3,4,4,3x5,4x6]Ge[3,3,4,4,5,5,6,6]Ge[3,4,4,5,5,6]Ge[3,4,5,5,3x6]Ge[4,5,5,6,6])(CH3)(H)2	C(CGe[3,4,4,3x5,4x6]HH)(H)3	H(CGe[3,4,4,3x5,4x6]CH)	108.8512	0.062	4	108.8512	0.004	4	108.8512	0.004	4	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	N-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(NLi3C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	C(NLi3C)(CH3)(H)2	C(CHHN)(H)3	H(CCHN)	108.8360	0.543	7	108.8360	0.295	7	108.8360	0.295	7	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]FeZrC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]FeZrC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	104.3270	4.236	16	104.3270	17.941	16	105.0168	19.921	100	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]HfRuC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]HfRuC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.4612	0.534	15	108.4612	0.285	15	105.0168	19.921	100	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]MoZrC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]MoZrC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	98.9247	1.182	21	98.9247	1.396	21	105.0168	19.921	100	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]RuZrC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]RuZrC)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.2191	0.633	31	108.2191	0.401	31	105.0168	19.921	100	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]ZrCW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PC[5]ZrCW)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	99.4109	0.727	8	99.4109	0.529	8	105.0168	19.921	100	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCNN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PRuCNN)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.6200	0.547	4	108.6200	0.299	4	105.0168	19.921	100	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PZrCCO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	C(PZrCCO)(CH3)(H)2	C(CHHP)(H)3	H(CCHP)	108.7110	0.119	5	108.7110	0.014	5	105.0168	19.921	100	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	Si-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiCCOU)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiCCOU)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	109.0768	0.515	6	109.0768	0.265	6	109.0414	0.252	17	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	Si-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiC[5]2ZrC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiC[5]2ZrC)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	109.3197	0.364	7	109.3197	0.132	7	109.0414	0.252	17	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:1:1:1:	4:	Si-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiNi2CH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	C(SiNi2CH)(CH3)(H)2	C(CSiHH)(H)3	H(CSiCH)	108.5012	0.261	4	108.5012	0.068	4	109.0414	0.252	17	106.8749	16.687	178	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:2:1:1:	4:	As[5,5]-5:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	C(CAs[5,5]HH)(OH)(H)2	H(CAs[5,5]CH)	C(As[5,5]C[5,6a]2O[5]2)(CHHO)(H)2	C(CAs[5,5]HH)(OH)(H)2	H(CAs[5,5]CH)	108.6885	0.029	2	108.6885	0.001	2	108.6885	0.001	2	109.1912	0.153	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:2:1:1:	4:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CC[3,3,5,3x6]CH)	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CC[3,3,5,3x6]CH)	109.4030	0.013	2	109.4030	0.000	2	109.4425	0.002	4	109.1912	0.153	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:2:1:1:	4:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CC[3,3,5,3x6]CH)	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CC[3,3,5,3x6]CH)	109.4820	0.018	2	109.4820	0.000	2	109.4425	0.002	4	109.1912	0.153	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:3:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(CPd2CC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	C(CPd2CC)(CCHH)(H)2	C(CCHH)(CNO)(H)2	H(CCCH)	109.0720	0.052	2	109.0720	0.003	2	109.0720	0.003	2	108.6364	0.701	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:3:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCeHHN)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	C(CCeHHN)(CHHN)(H)2	C(CCHH)(NCC)(H)2	H(CCCH)	109.1873	0.140	8	109.1873	0.020	8	109.1873	0.020	8	108.6364	0.701	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:3:1:1:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CN[5]HH)(H)2	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	H(CC[3x3,3x5,12x6]CH)	107.6310	1.275	4	107.6310	1.626	4	107.6310	1.626	4	108.6364	0.701	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:3:1:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CHHN)(H)2	C(CC[3x3,4,3x5,14x6]HH)(NCC)(H)2	H(CC[3x3,4,3x5,14x6]CH)	108.7750	0.023	2	108.7750	0.001	2	108.7750	0.001	2	108.6364	0.701	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:3:1:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CN[5]HH)(H)2	C(CC[3x3,4,3x5,14x6]HH)(N[5]C[5]2)(H)2	H(CC[3x3,4,3x5,14x6]CH)	107.6275	0.016	2	107.6275	0.000	2	107.6275	0.000	2	108.6364	0.701	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:3:1:1:	4:	C[4x3,4x5,4x6]-5:C-4:H-1:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[4x3,4x5,4x6]CH)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CC[6a]HH)(H)2	C(CC[4x3,4x5,4x6]HH)(C[6a]C[6a]2)(H)2	H(CC[4x3,4x5,4x6]CH)	108.7980	0.016	3	108.7980	0.000	3	108.7980	0.000	3	108.6364	0.701	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	B-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(BOs2CC)(CCHH)(H)2	C(CBHH)(CH3)(H)2	H(CBCH)	C(BOs2CC)(CCHH)(H)2	C(CBHH)(CH3)(H)2	H(CBCH)	109.7933	0.166	4	109.7933	0.027	4	109.7933	0.027	4	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCr2HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CCr2HH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	107.3708	0.256	4	107.3708	0.066	4	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CFeLiCH)(CCHH)(H)2	C(CFeCH)(CCHH)(H)2	H(CCCH)	C(CFeLiCH)(CCHH)(H)2	C(CFeCH)(CCHH)(H)2	H(CCCH)	109.2635	0.012	2	109.2635	0.000	2	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CHHNW)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CHHNW)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	109.2655	0.207	8	109.2655	0.043	8	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIr3C)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CIr3C)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	109.4137	0.037	4	109.4137	0.001	4	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CIrCHO)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	C(CIrCHO)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	H(CCCH)	109.0803	0.235	4	109.0803	0.055	4	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CLaHHO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	C(CLaHHO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCCH)	108.7995	0.018	2	108.7995	0.000	2	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CLiMgHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CLiMgHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.2076	0.515	8	108.2076	0.265	8	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMg2HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	C(CMg2HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	H(CCCH)	108.4700	0.119	3	108.4700	0.014	3	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CMoCCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CMoCCH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	108.1535	0.025	4	108.1535	0.001	4	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(CNaCHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	C(CNaCHH)(CCHH)(H)2	C(CCHH)2(H)2	H(CCCH)	109.6715	0.085	4	109.6715	0.007	4	108.7460	0.535	43	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C[3,3,5,4x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	H(CC[3,3,5,4x6]CH)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	H(CC[3,3,5,4x6]CH)	109.4900	1.243	2	109.4900	1.545	2	109.4900	1.545	2	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	H(CC[3x3,3x5,12x6]CH)	108.1820	2.554	2	108.1820	6.523	2	108.1820	6.523	2	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	C(CC[3x3,3x5,12x6]HH)(NAlCC)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CHHN)(H)2	C(CC[3x3,3x5,12x6]HH)(NAlCC)(H)2	H(CC[3x3,3x5,12x6]CH)	108.8015	0.022	2	108.8015	0.000	2	108.8015	0.000	2	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	H(CC[3x3,4,3x5,14x6]CH)	108.1059	0.371	15	108.1059	0.138	15	108.1059	0.138	15	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	C[4]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[4]C[4]2NiH)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	C(C[4]C[4]2NiH)(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	H(CC[4]CH)	108.3420	0.016	2	108.3420	0.000	2	108.3420	0.000	2	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	Ge[5,3x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	H(CGe[5,3x6]CH)	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	H(CGe[5,3x6]CH)	107.3580	0.049	2	107.3580	0.002	2	107.3580	0.002	2	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	N-5:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NLi3C)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	C(NLi3C)(CHHN)(H)2	C(NLiCC)(CHHN)(H)2	H(CCHN)	108.2200	0.026	4	108.2200	0.001	4	108.7001	0.326	8	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	N-5:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:	C(NNiCHH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	C(NNiCHH)(CHHN)(H)2	C(NNiCH)(CHHN)(H)2	H(CCHN)	109.1803	0.382	4	109.1803	0.146	4	108.7001	0.326	8	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PCCOU)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PCCOU)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.7733	0.341	21	108.7733	0.116	21	108.4869	0.181	108	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	P-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(PThCCO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	C(PThCCO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	H(CCHP)	108.4178	0.416	87	108.4178	0.173	87	108.4869	0.181	108	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	P-5:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:	C(PCuPdCC)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	C(PCuPdCC)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	H(CCHP)	109.9065	0.062	2	109.9065	0.004	2	109.9065	0.004	2	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	Si-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[5]2ZrC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	C(SiC[5]2ZrC)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	H(CSiCH)	108.3568	0.084	4	108.3568	0.007	4	108.3918	0.073	10	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	Si-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[5]2ZrC)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	C(SiC[5]2ZrC)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	108.3438	0.433	4	108.3438	0.188	4	108.3918	0.073	10	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	Si-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiC[6a]C[6]FeH)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	C(SiC[6a]C[6]FeH)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	108.5580	0.014	2	108.5580	0.000	2	108.3918	0.073	10	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:1:1:	4:	Si[5,5,6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	C(CSi[5,5,6]HH)(CH3)(H)2	H(CSi[5,5,6]CH)	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	C(CSi[5,5,6]HH)(CH3)(H)2	H(CSi[5,5,6]CH)	108.0775	0.250	4	108.0775	0.062	4	108.0775	0.062	4	108.5462	0.376	204	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:4:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	H(CC[3x3,4,3x5,14x6]CH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	H(CC[3x3,4,3x5,14x6]CH)	107.8869	0.321	8	107.8869	0.103	8	107.8869	0.103	8	107.9571	0.121	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:4:1:	4:	P-5:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(PAlCrNN)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	C(PAlCrNN)(CCCH)(H)2	C(CHHP)(CH3)2(H)	H(CCHP)	108.3655	0.039	2	108.3655	0.002	2	108.3655	0.002	2	107.9571	0.121	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:4:1:	4:	Si-5:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(SiTaO3)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	C(SiTaO3)(CCCH)(H)2	C(CSiHH)(CH3)2(H)	H(CSiCH)	107.9062	0.381	5	107.9062	0.145	5	107.9062	0.145	5	107.9571	0.121	15	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:4:4:	4:	B-5:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(BC[5]LiHH)(CC3)(H)2	C(CBHH)(CH3)3	H(CBCH)	C(BC[5]LiHH)(CC3)(H)2	C(CBHH)(CH3)3	H(CBCH)	107.4725	0.059	2	107.4725	0.003	2	107.4725	0.003	2	106.9913	0.170	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:4:4:	4:	C-5:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(CAl4)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	C(CAl4)(CC3)(H)2	C(CCHH)(CH3)3	H(CCCH)	106.8412	0.283	17	106.8412	0.080	17	106.8412	0.080	17	106.9913	0.170	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	4:4:4:4:	4:	P-5:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:	C(PC[5]Li3)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	C(PC[5]Li3)(CC3)(H)2	C(CHHP)(CH3)3	H(CCHP)	107.7865	0.021	2	107.7865	0.000	2	107.7865	0.000	2	106.9913	0.170	21	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	5:4:1:1:	4:	C-5:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:	C(CLiMgHH)(CCHH)(H)2	C(CLiMgHH)(CCHH)(H)2	H(CCCH)	C(CLiMgHH)(CCHH)(H)2	C(CLiMgHH)(CCHH)(H)2	H(CCCH)	109.0401	0.084	7	109.0401	0.007	7	109.0401	0.007	7	109.0401	0.007	7	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	5:5:4:1:	4:	P-5:C-4:H-1:H-1:	P-5:P-5:C-4:H-1:	C-4:	C(PC[6a]2OY)(CHPP)(H)2	C(PC[6a]2OY)2(CHHP)(H)	H(CCHP)	C(PC[6a]2OY)(CHPP)(H)2	C(PC[6a]2OY)2(CHHP)(H)	H(CCHP)	107.7965	0.134	2	107.7965	0.018	2	107.7965	0.018	2	107.7965	0.018	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:1:1:	6:4:1:1:	4:	C[3,3,5,4x6]-5:C-4:H-1:H-1:	C[3x3,5,5,7x6]-6:C-4:H-1:H-1:	C-4:	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CC[3x3,5,5,7x6]HH)(H)2	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Fe)(CC[3,3,5,4x6]HH)(H)2	H(CC[3,3,5,4x6]CH)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CC[3x3,5,5,7x6]HH)(H)2	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Fe)(CC[3,3,5,4x6]HH)(H)2	H(CC[3,3,5,4x6]CH)	110.3180	1.740	4	110.3180	3.027	4	110.3180	3.027	4	110.3180	3.027	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:2:1:	4:4:4:1:	4:	C[3]-5:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	H(CC[3]CO)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	H(CC[3]CO)	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:3:1:	4:1:1:1:	4:	P-5:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCNS)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	C(PPdCNS)(CH3)(CHH)(H)	C(CCHP)(H)3	H(CCCP)	111.9095	7.947	2	111.9095	63.158	2	111.9095	63.158	2	111.9095	63.158	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	3:4:1:1:	4:	N-5:C-4:C-4:H-1:	O-3:C-4:H-1:H-1:	C-4:	C(NLi3C)(CCCH)(CHHO)(H)	C(OLiSi)(CCHN)(H)2	H(CCCN)	C(NLi3C)(CCCH)(CHHO)(H)	C(OLiSi)(CCHN)(H)2	H(CCCN)	106.2860	0.293	2	106.2860	0.086	2	106.2860	0.086	2	106.2860	0.086	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAlHHY)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CAlHHY)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.8075	0.046	2	107.8075	0.002	2	107.3981	0.448	16	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CAlLiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CAlLiHH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.6362	0.213	10	107.6362	0.045	10	107.3981	0.448	16	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CTiCCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CTiCCH)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	107.4400	0.052	2	107.4400	0.003	2	107.3981	0.448	16	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(CZrCHN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	C(CZrCHN)(CH3)2(H)	C(CCCH)(H)3	H(CC3)	105.7560	0.062	2	105.7560	0.004	2	107.3981	0.448	16	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	C(CC[3x3,4,3x5,14x6]CH)(H)3	H(CC[3x3,4,3x5,14x6]CC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	C(CC[3x3,4,3x5,14x6]CH)(H)3	H(CC[3x3,4,3x5,14x6]CC)	106.9382	0.361	4	106.9382	0.130	4	106.9382	0.130	4	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	C[5,6]-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5,6]C[5,6]C[6]N[5]Al)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[6]N[5]Al)(CH3)2(H)	C(CC[5,6]CH)(H)3	H(CC[5,6]CC)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCCOV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCCOV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.5443	2.232	4	107.5443	4.981	4	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]IrCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]IrCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.3377	0.372	4	105.3377	0.139	4	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]RhCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]RhCS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	105.5550	0.296	6	105.5550	0.088	6	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]SeZrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]SeZrC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3783	0.704	8	107.3783	0.496	8	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[5]ZrCW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PC[5]ZrCW)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7560	1.149	3	107.7560	1.321	3	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PC[6a]2RuO)(CRuCC)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	C(PC[6a]2RuO)(CRuCC)(CH3)(H)	C(CCHP)(H)3	H(CCCP)	104.3720	0.000	1	104.3720	0.000	1	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCeCNO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCeCNO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2161	0.891	37	107.2161	0.793	37	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCo2CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCo2CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.6435	1.495	16	107.6435	2.235	16	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoCCU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCoCCU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9642	0.757	4	106.9642	0.573	4	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoCNV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCoCNV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.3791	1.045	12	107.3791	1.091	12	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoThCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCoThCC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8350	0.651	4	106.8350	0.424	4	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoTiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCoTiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.1437	1.259	16	108.1437	1.586	16	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCoZrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCoZrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8226	1.443	42	106.8226	2.084	42	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCrIrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCrIrCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.7669	1.033	8	106.7669	1.067	8	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCrRhCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCrRhCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0676	1.379	8	107.0676	1.902	8	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PCuTiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PCuTiCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4704	2.103	8	107.4704	4.422	8	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PFe2CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PFe2CN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0403	1.361	20	107.0403	1.852	20	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PFeCNN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PFeCNN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	109.5953	0.895	7	109.5953	0.800	7	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNi2CC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PNi2CC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.4382	2.912	4	107.4382	8.477	4	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PNiCNV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PNiCNV)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.7099	1.191	8	107.7099	1.419	8	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPbCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPbCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9774	0.452	16	106.9774	0.204	16	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCNS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPdCNS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	108.8200	27.453	2	108.8200	753.655	2	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PPdCNU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PPdCNU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.2934	0.778	15	107.2934	0.606	15	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRuCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1925	1.340	4	107.1925	1.794	4	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PRuCNO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PRuCNO)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	104.9940	0.739	4	104.9940	0.547	4	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSe2CU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSe2CU)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0767	0.839	28	107.0767	0.703	28	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSe2ThC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSe2ThC)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.8449	0.919	16	106.8449	0.845	16	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PSnCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PSnCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.1938	0.350	20	107.1938	0.123	20	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PThCSS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PThCSS)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0441	0.856	14	107.0441	0.733	14	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PTiCNP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PTiCNP)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	106.9694	0.561	9	106.9694	0.314	9	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(PZnCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	C(PZnCCN)(CH3)2(H)	C(CCHP)(H)3	H(CCCP)	107.0685	0.219	12	107.0685	0.048	12	107.1566	3.599	360	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiMgCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiMgCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.8907	0.645	24	105.8907	0.416	24	105.8737	1.630	97	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiSnCNN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiSnCNN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.3047	0.478	8	106.3047	0.228	8	105.8737	1.630	97	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiThCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiThCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	106.2485	1.079	33	106.2485	1.165	33	105.8737	1.630	97	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiTmCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiTmCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.6007	0.788	10	105.6007	0.621	10	105.8737	1.630	97	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiYbCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiYbCCN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	105.8031	0.793	18	105.8031	0.629	18	105.8737	1.630	97	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:1:1:1:	4:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(SiZrCNN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	C(SiZrCNN)(CH3)2(H)	C(CSiCH)(H)3	H(CSiCC)	102.8186	3.977	4	102.8186	15.815	4	105.8737	1.630	97	106.9033	3.325	478	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:2:1:1:	4:	Si-5:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:	C(SiThCCN)(CH3)2(H)	C(CSiCH)(HTh)(H)2	H(CSiCC)	C(SiThCCN)(CH3)2(H)	C(CSiCH)(HTh)(H)2	H(CSiCC)	106.1035	0.282	2	106.1035	0.080	2	106.1035	0.080	2	106.1035	0.080	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:3:1:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	H(CC[3x3,4,3x5,14x6]CC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	H(CC[3x3,4,3x5,14x6]CC)	106.3080	0.000	1	106.3080	0.000	1	106.3080	0.000	1	106.8615	0.613	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:3:1:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:P-3:H-1:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(H)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	H(CC[3x3,4,3x5,14x6]CC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(H)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	H(CC[3x3,4,3x5,14x6]CC)	107.4150	0.000	1	107.4150	0.000	1	107.4150	0.000	1	106.8615	0.613	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:4:1:1:	4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	H(CC[3x3,4,3x5,14x6]CC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	H(CC[3x3,4,3x5,14x6]CC)	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:4:4:1:	4:4:4:1:	4:	N-5:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:	C(NLi3C)(CCCH)(CHHO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	C(NLi3C)(CCCH)(CHHO)(H)	C(CCHN)(CH3)2(H)	H(CCCN)	106.2835	0.291	2	106.2835	0.084	2	106.2835	0.084	2	106.2835	0.084	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:5:4:1:	4:3:1:1:	4:	P-5:P-5:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:	C(PC[6a]2OU)2(CCHH)(H)	C(CHPP)(CCO)(H)2	H(CCPP)	C(PC[6a]2OU)2(CCHH)(H)	C(CHPP)(CCO)(H)2	H(CCPP)	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	5:5:4:1:	5:4:1:1:	4:	P-5:P-5:C-4:H-1:	P-5:C-4:H-1:H-1:	C-4:	C(PC[6a]2OY)2(CHHP)(H)	C(PC[6a]2OY)(CHPP)(H)2	H(CCPP)	C(PC[6a]2OY)2(CHHP)(H)	C(PC[6a]2OY)(CHPP)(H)2	H(CCPP)	104.9890	0.000	1	104.9890	0.000	1	104.9890	0.000	1	104.9890	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:2:4:1:	4:4:1:1:	4:	B[5x3,5x5,20x6]-6:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	H(CB[5x3,5x5,20x6]CS)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	H(CB[5x3,5x5,20x6]CS)	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	3:4:1:1:	4:	B[3x3]-6:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(B[3x3]C[3,3]2B[3]2Ru)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	H(CB[3x3]CH)	C(B[3x3]C[3,3]2B[3]2Ru)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CB[3x3]HH)(H)2	H(CB[3x3]CH)	108.8910	0.018	2	108.8910	0.000	2	108.8910	0.000	2	108.8910	0.000	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	3:4:4:4:	4:	Nb[3x6]-6:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:	C(Nb[3x6]N[5,6,6]3ClN)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	H(CNb[3x6]CH)	C(Nb[3x6]N[5,6,6]3ClN)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	H(CNb[3x6]CH)	111.1825	5.583	2	111.1825	31.166	2	111.1825	31.166	2	111.1825	31.166	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:1:1:1:	4:	C[3,3]-6:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	C(CC[3,3]HH)(H)3	H(CC[3,3]CH)	C(C[3,3]C[3,3]2H[3]HH)(CH3)(H)2	C(CC[3,3]HH)(H)3	H(CC[3,3]CH)	109.3345	0.047	2	109.3345	0.002	2	109.3345	0.002	2	107.6406	3.097	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:1:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(H)3	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(H)3	H(CC[5x3,5x5,20x6]CH)	108.5650	0.004	2	108.5650	0.000	2	108.0150	0.404	4	107.6406	3.097	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:1:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(H)3	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(H)3	H(CC[5x3,5x5,20x6]CH)	107.4650	0.040	2	107.4650	0.002	2	108.0150	0.404	4	107.6406	3.097	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:1:1:1:	4:	P[4x6]-6:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	C(CP[4x6]HH)(H)3	H(CP[4x6]CH)	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	C(CP[4x6]HH)(H)3	H(CP[4x6]CH)	105.1980	1.495	2	105.1980	2.234	2	105.1980	2.234	2	107.6406	3.097	8	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:2:1:1:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(CHHO)(H)2	C(CC[3x3,3x5,12x6]HH)(OH)(H)2	H(CC[3x3,3x5,12x6]CH)	108.1190	0.112	2	108.1190	0.012	2	107.6707	0.273	4	107.9693	0.378	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:2:1:1:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	C(CC[3x3,3x5,12x6]HH)(OC)(H)2	H(CC[3x3,3x5,12x6]CH)	107.2225	0.060	2	107.2225	0.004	2	107.6707	0.273	4	107.9693	0.378	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:2:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHS)(H)2	C(CC[5x3,5x5,20x6]HH)(SH)(H)2	H(CC[5x3,5x5,20x6]CH)	108.5665	0.009	2	108.5665	0.000	2	108.5665	0.000	2	107.9693	0.378	6	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:3:1:1:	4:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CB[5x3,5x5,20x6]CH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CB[5x3,5x5,20x6]CH)	108.5565	0.110	6	108.5565	0.012	6	108.5565	0.012	6	108.5972	0.072	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:3:1:1:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHN)(H)2	C(CC[3x3,3x5,12x6]HH)(NCC)(H)2	H(CC[3x3,3x5,12x6]CH)	108.3700	0.106	3	108.3700	0.011	3	108.3700	0.011	3	108.5972	0.072	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:3:1:1:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Rh)(CN[5]HH)(H)2	C(CC[3x3,3x5,12x6]HH)(N[5]C[5]2)(H)2	H(CC[3x3,3x5,12x6]CH)	108.4925	0.067	2	108.4925	0.005	2	108.4925	0.005	2	108.5972	0.072	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:3:1:1:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	C(CC[3x3,3x5,12x6]HH)(OTaC)(H)2	H(CC[3x3,3x5,12x6]CH)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ta)(CHHO)(H)2	C(CC[3x3,3x5,12x6]HH)(OTaC)(H)2	H(CC[3x3,3x5,12x6]CH)	109.0155	0.013	2	109.0155	0.000	2	109.0155	0.000	2	108.5972	0.072	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:3:1:1:	4:	C[5x3,3x5,11x6]-6:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	H(CC[5x3,3x5,11x6]CH)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CN[5]HH)(H)2	C(CC[5x3,3x5,11x6]HH)(N[5]C[5]2)(H)2	H(CC[5x3,3x5,11x6]CH)	108.5105	0.025	2	108.5105	0.001	2	108.5105	0.001	2	108.5972	0.072	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:3:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C[6a]-3:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]HH)(H)2	C(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	H(CC[5x3,5x5,20x6]CH)	108.6772	0.459	6	108.6772	0.210	6	108.6772	0.210	6	108.5972	0.072	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:3:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:N[5]-3:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CN[5]HH)(H)2	C(CC[5x3,5x5,20x6]HH)(N[5]C[5]2)(H)2	H(CC[5x3,5x5,20x6]CH)	108.5958	0.162	6	108.5958	0.026	6	108.5958	0.026	6	108.5972	0.072	27	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:4:1:1:	4:	B[4x3,5,4x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	H(CB[4x3,5,4x6]CH)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	H(CB[4x3,5,4x6]CH)	109.1795	0.037	2	109.1795	0.001	2	109.1795	0.001	2	108.1874	0.272	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	107.8638	0.118	6	107.8638	0.014	6	107.9601	0.093	14	108.1874	0.272	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	H(CC[5x3,5x5,20x6]CH)	108.4065	0.050	2	108.4065	0.003	2	107.9601	0.093	14	108.1874	0.272	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	H(CC[5x3,5x5,20x6]CH)	107.9077	0.364	6	107.9077	0.133	6	107.9601	0.093	14	108.1874	0.272	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	4:4:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	H(CC[5x3,5x5,20x6]CH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CHHN)(H)2	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	H(CC[5x3,5x5,20x6]CH)	108.7860	0.055	2	108.7860	0.003	2	108.7860	0.003	2	108.1874	0.272	18	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:1:1:	5:4:1:1:	4:	C[3x3,5,5,7x6]-6:C-4:H-1:H-1:	C[3,3,5,4x6]-5:C-4:H-1:H-1:	C-4:	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Fe)(CC[3,3,5,4x6]HH)(H)2	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CC[3x3,5,5,7x6]HH)(H)2	H(CC[3x3,5,5,7x6]CH)	C(C[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3,3,5,4x6]Fe)(CC[3,3,5,4x6]HH)(H)2	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CC[3x3,5,5,7x6]HH)(H)2	H(CC[3x3,5,5,7x6]CH)	109.8088	0.565	4	109.8088	0.319	4	109.8088	0.319	4	109.8088	0.319	4	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:2:1:	4:1:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C(CC[5x3,5x5,20x6]HO)(H)3	H(CC[5x3,5x5,20x6]CO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)(OC)(H)	C(CC[5x3,5x5,20x6]HO)(H)3	H(CC[5x3,5x5,20x6]CO)	107.5245	0.745	2	107.5245	0.554	2	107.5245	0.554	2	107.5245	0.554	2	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:3:1:	4:1:1:1:	4:	C[3]-6:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[3]C[3]2H3)(CH3)(COO)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	C(C[3]C[3]2H3)(CH3)(COO)(H)	C(CC[3]CH)(H)3	H(CC[3]CC)	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:4:1:	4:1:1:1:	4:	B[5x3,5x5,20x6]-6:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	C(CB[5x3,5x5,20x6]CH)(H)3	H(CB[5x3,5x5,20x6]CC)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	C(CB[5x3,5x5,20x6]CH)(H)3	H(CB[5x3,5x5,20x6]CC)	107.2090	0.046	4	107.2090	0.002	4	107.2090	0.002	4	107.0274	0.166	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	6:4:4:1:	4:1:1:1:	4:	C[5x3,5x5,20x6]-6:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	C(CC[5x3,5x5,20x6]CH)(H)3	H(CC[5x3,5x5,20x6]CC)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	C(CC[5x3,5x5,20x6]CH)(H)3	H(CC[5x3,5x5,20x6]CC)	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	107.0274	0.166	5	109.0908	1.588	981473	109.0908	1.588	981473
490	490	951	0:SP3_SP-NON_SP3	C	C	H	7:4:1:1:	4:4:1:1:	4:	Si-7:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:	C(SiTiO3WW)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	C(SiTiO3WW)(CCHH)(H)2	C(CSiHH)(CH3)(H)2	H(CSiCH)	108.0958	0.543	5	108.0958	0.295	5	108.0958	0.295	5	108.0958	0.295	5	109.0908	1.588	981473	109.0908	1.588	981473